#DEFINITION	Reference Metabolome for Cycas revoluta
#IDENTTFIER	RefMeta-Cycas revoluta.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Cycas revoluta
#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 Cycas revoluta was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54591	0.6
71.01379	10.1
73.02947	1.7
83.01418	1.2
85.02958	3.3
87.00888	3.7
89.02432	14.3
91.79340	0.7
92.10138	3.2
97.02938	3.3
99.00880	0.7
101.02430	11.2
111.81728	0.8
113.02465	5.9
119.03506	2.7
125.02422	5.8
132.23196	0.7
143.03496	1.6
161.04462	2.7
179.05609	1.1
197.56911	0.7
235.08231	4.4
277.21741	100.0
379.12808	5.1
397.13538	22.1
415.14487	5.4
675.35999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6111
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	19.4
80.78709	2.6
85.02947	4.1
87.00845	2.5
89.02432	21.5
95.01408	2.5
97.02959	2.7
101.02456	19.8
111.45171	2.6
113.02492	3.9
119.03489	5.4
143.03513	4.0
161.04568	2.8
166.60872	2.4
171.98671	2.5
179.05568	3.0
179.96246	2.5
235.08247	5.5
277.21759	86.6
279.23303	100.0
379.12329	18.7
396.09930	2.5
397.13599	53.5
414.11545	2.8
415.14746	10.0
472.03278	2.4
476.13422	2.8
481.27908	2.5
534.46002	3.2
846.29669	3.1
878.68713	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	995.5713
Annotation	Unknow
Peak:m/z	Relative Intensity
74.58501	0.8
78.95898	36.2
78.96316	1.7
96.96954	1.0
109.57790	0.8
152.98344	2.2
152.99599	63.4
171.00645	19.9
197.60553	1.1
227.03075	0.9
238.17204	1.0
245.04329	72.0
253.21761	27.4
319.94510	1.2
319.98425	1.1
357.67892	1.1
481.25784	100.0
482.25894	1.8
528.08435	1.0
737.29584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5743
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94923	0.1
69.03435	0.3
71.01006	0.1
71.01373	4.1
72.99276	0.1
73.02928	0.6
80.02641	0.1
81.03418	0.2
83.01373	0.3
83.05011	0.5
85.02928	0.7
86.90977	0.1
87.00839	0.7
88.21786	0.1
89.01926	0.2
89.02437	3.8
93.07038	0.2
95.01363	0.5
95.04991	0.1
96.52906	0.1
97.02953	0.9
97.06509	0.1
99.00838	0.2
101.02430	2.7
107.08650	0.2
109.06548	0.6
111.08163	2.5
113.02428	1.6
113.09726	0.2
115.03955	0.1
119.03451	0.7
120.05788	0.2
123.08144	0.1
124.47045	0.1
125.02464	1.4
125.09737	1.0
127.07594	0.3
127.11291	2.2
129.09193	0.5
131.03470	0.1
137.09692	0.2
138.06871	0.2
139.07610	0.3
140.08379	0.2
141.09198	0.3
143.03519	0.5
149.09668	0.3
151.11282	1.3
153.09232	0.9
153.12857	5.2
155.10799	1.7
161.04543	0.6
163.11282	0.2
165.12807	0.7
167.09457	0.2
167.10765	2.4
169.12375	1.1
179.05594	0.3
179.10834	1.0
179.14439	2.4
181.12346	4.2
186.28615	0.1
189.12759	0.2
193.15965	0.9
195.10251	0.2
197.11859	3.0
199.13370	1.3
207.13947	2.9
213.14888	0.2
215.12892	2.0
217.15952	0.5
219.17583	0.1
221.06747	0.2
225.11292	0.2
226.12109	0.7
227.12920	1.4
228.13806	1.1
231.17542	0.2
235.08228	1.3
237.22198	0.5
241.14444	0.3
245.19101	0.5
247.20695	6.3
253.21759	0.2
263.20123	1.1
265.21783	1.0
273.18628	3.1
275.16489	0.2
277.21744	8.9
279.25992	0.1
281.21298	2.1
287.07880	0.5
291.19687	33.9
292.20081	0.2
305.08875	0.5
309.20755	100.0
310.21127	1.0
382.51868	0.2
395.41846	0.1
397.13547	10.8
411.23129	0.1
415.14606	3.8
675.36584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6113
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	23.0
78.53186	1.6
83.01378	1.8
85.02968	4.3
87.00885	7.0
89.02424	21.7
97.02951	3.3
101.02457	15.6
102.06569	1.6
113.02476	10.4
119.03470	6.7
125.02475	8.3
143.03484	2.6
161.04570	3.6
235.08293	8.2
255.23315	100.0
257.39554	1.8
277.21747	80.8
277.24750	3.7
287.37216	1.9
305.08807	2.3
379.12646	20.3
397.13559	44.6
415.14594	3.9
653.37634	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	979.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61638	0.2
77.03949	1.9
79.01897	0.8
82.93961	0.2
89.80388	0.2
90.45394	0.2
93.03446	2.0
96.96008	0.4
101.02462	0.3
105.03478	0.7
107.01434	0.2
109.02817	0.2
117.03459	9.5
119.05038	1.3
121.02946	3.0
125.02444	0.3
133.02907	0.2
135.04512	2.6
137.02480	0.4
145.02966	0.3
147.00885	0.2
147.04559	0.4
149.02432	2.7
151.03966	0.2
159.04506	2.0
161.02443	5.2
163.00349	0.4
163.04016	4.2
164.01096	0.2
165.01930	1.2
169.06625	0.2
173.02431	0.4
173.06026	0.2
175.00258	0.3
175.04065	0.3
177.02026	0.2
179.03505	0.9
182.03825	0.2
189.01843	0.3
191.03549	1.9
193.01419	0.6
195.08090	0.3
196.05293	0.2
197.06070	1.0
203.03528	1.3
209.06111	0.3
210.06856	0.3
211.07683	0.4
213.05559	0.2
215.07156	1.0
217.01379	0.2
224.04807	0.9
225.05592	0.8
237.05548	0.4
238.06413	0.2
239.07207	2.0
241.05019	0.3
243.06659	0.4
253.05035	0.2
268.03799	3.1
269.04556	3.7
281.04568	3.2
282.05423	2.0
283.06140	58.0
284.06467	1.3
293.04590	3.1
295.06128	1.9
309.04141	0.4
311.05661	100.0
312.06021	2.1
314.04501	0.7
321.03952	0.2
323.05667	5.8
339.05148	0.3
341.06702	14.9
342.07285	0.3
353.06839	1.0
377.06708	0.4
395.07932	0.3
468.80933	0.2
484.59915	0.2
593.15228	63.9
594.15381	1.5
681.46936	0.2
818.69952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75360	0.4
74.67408	0.4
78.95896	42.1
96.96967	7.4
136.03445	0.5
136.54355	0.5
149.73251	0.4
150.98051	2.0
152.99591	100.0
171.00648	3.8
257.36789	0.4
279.23444	0.6
403.64148	0.5
433.23642	31.2
442.44800	0.4
445.26031	0.7
445.31778	0.6
508.93732	0.5
537.30951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.8
71.01383	22.8
71.01772	1.0
72.99332	1.2
73.02965	4.4
83.01385	2.0
85.02958	6.4
87.00898	5.9
89.02447	20.1
95.01395	1.2
97.02948	4.3
99.00895	1.0
101.02458	18.9
113.02440	9.5
116.92870	1.2
119.03503	5.8
125.02434	5.0
161.04576	2.1
167.10696	0.9
179.05655	4.4
179.14462	1.1
195.13927	13.0
196.27483	1.0
223.13394	8.9
228.13622	1.6
235.08145	7.1
256.13297	1.1
275.20184	4.2
279.23322	70.5
280.23712	1.1
287.07712	1.5
293.21265	100.0
294.21622	3.6
305.08838	2.0
365.47238	1.0
397.13550	71.5
415.14578	23.6
625.76038	1.2
677.37756	6.5
689.19220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	23.8
72.13168	2.5
73.02946	4.0
83.01403	3.9
85.02971	5.7
89.02432	25.9
94.17395	2.5
101.02428	21.0
113.02452	14.2
119.03508	3.5
125.02435	3.4
179.05611	3.2
181.12383	3.1
195.13884	3.7
235.08167	3.5
247.20677	4.6
277.21750	86.5
277.70917	2.6
291.19711	39.5
309.20764	100.0
397.13513	50.9
405.74844	3.0
415.14551	13.7
519.90399	2.8
555.40717	2.9
613.03595	3.1
689.33911	6.1
707.34698	5.1
960.50671	3.2
963.37384	3.0
967.56134	14.4
1002.39948	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	967.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11302	1.6
71.01381	23.5
72.99339	2.0
73.02946	4.2
85.02958	4.2
87.00877	3.9
89.02431	27.4
97.02935	2.5
99.00872	2.5
99.90075	1.7
101.02438	22.5
113.02450	9.5
114.39352	2.0
119.03477	7.2
125.02463	9.2
143.03474	3.3
161.04549	4.2
165.04724	1.8
183.53133	2.4
187.77066	1.7
217.07195	1.7
235.08180	4.4
237.11072	1.7
249.18597	71.2
277.18762	3.6
277.21738	100.0
277.24738	4.0
379.12405	9.3
383.47397	2.0
397.13446	34.1
415.14517	10.7
868.57648	1.9
950.67621	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	966.6605
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03471	2.7
83.01393	3.7
83.05029	14.3
84.05390	3.2
92.10863	2.8
101.02453	1.7
103.48631	1.4
145.02834	1.7
164.74400	1.7
167.03520	1.7
225.16118	8.7
226.16386	6.3
417.07993	1.8
451.33795	2.2
452.32874	2.8
453.33368	2.9
817.93933	2.2
904.66620	8.2
905.67084	32.5
906.67358	52.0
966.66107	100.0
967.66400	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	967.564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.8
70.05611	0.2
71.01378	28.6
72.99307	2.2
73.02943	5.3
75.00861	0.5
81.03452	1.8
81.64046	0.2
83.01381	3.9
85.02950	7.7
87.00876	6.8
89.02436	32.5
89.59052	0.2
91.04005	0.9
95.01385	2.5
95.05033	0.3
97.02940	5.6
99.00873	2.6
99.04530	0.4
101.02434	28.0
103.00388	0.3
103.04038	0.3
109.02958	0.4
111.00889	1.1
111.04523	0.6
113.02445	13.6
115.03994	0.4
119.03499	8.8
119.05025	0.3
121.02978	0.6
125.02444	8.9
131.03514	1.1
133.05064	1.0
139.04042	1.1
141.01961	0.4
143.03516	3.5
148.08926	0.5
149.04565	0.4
150.10504	0.9
151.11363	0.4
151.62288	0.2
152.61375	0.2
161.04547	6.1
163.11279	0.4
165.12836	14.4
167.03487	0.4
169.05124	0.4
169.53581	0.3
175.11247	0.4
176.12057	0.3
179.05580	4.6
185.04572	0.5
187.23547	0.2
191.14388	0.4
199.06137	0.6
217.07124	0.9
221.06622	2.7
235.05986	0.4
235.08243	10.4
245.06650	0.4
247.20674	8.7
253.09293	3.3
259.20520	0.3
263.07706	1.4
273.18622	3.7
275.20132	0.4
277.21735	85.6
278.22070	1.0
287.07715	3.0
291.19672	37.6
292.19980	0.5
305.08780	3.9
308.21741	0.3
323.09872	1.4
347.90771	0.3
397.13535	100.0
398.13834	1.3
415.14609	33.9
538.66132	0.3
612.25977	0.3
675.36108	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	965.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.7
83.01392	7.7
89.02476	0.4
93.03458	7.1
96.16916	0.4
99.00908	0.4
101.02468	1.6
107.01397	10.5
113.02389	0.4
119.05025	31.4
121.02976	0.6
125.02416	3.2
127.74009	0.4
145.02924	0.7
151.00381	49.2
161.04613	0.7
161.06058	0.5
165.01942	2.6
169.01382	3.1
175.00337	1.6
177.01898	5.6
185.06097	0.6
187.04073	0.7
193.01477	0.5
207.13977	0.9
227.07138	1.6
229.05133	0.6
245.06688	3.9
271.06149	100.0
272.06503	0.8
295.06042	0.7
313.07037	0.7
433.11432	2.0
453.21466	4.0
455.41708	0.4
475.12381	1.8
517.13574	1.0
703.86749	0.5
705.73120	0.5
799.81030	0.5
929.34979	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	963.6873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56046	0.1
76.57585	0.1
79.95745	0.2
81.03450	7.7
83.01402	0.5
83.05022	20.9
96.96001	2.6
100.07681	0.6
101.02472	0.1
104.13840	0.1
107.06133	0.5
108.04589	0.6
119.04998	0.1
124.10120	0.1
125.02473	0.2
125.07200	1.8
126.05607	0.6
128.01175	0.1
134.03674	0.1
143.08279	0.7
157.13416	0.2
181.17136	0.2
199.18221	0.2
207.15039	2.4
222.16139	0.2
224.17694	4.8
225.16090	18.4
242.18790	1.1
250.15730	0.2
268.16714	0.3
271.06210	0.3
291.20837	0.3
309.21805	1.2
324.26614	0.7
333.23074	1.0
341.29105	1.8
351.24084	0.2
367.27219	1.5
385.28162	0.6
407.33673	0.5
433.31827	2.8
450.34671	2.4
451.32953	14.4
452.32852	0.1
468.35352	0.2
476.32013	0.2
516.39465	0.1
517.37543	0.2
535.38647	0.2
550.43726	1.1
559.39886	0.2
567.46179	1.2
591.57977	0.1
593.43774	0.7
659.48944	0.5
676.51294	0.7
677.49780	2.9
776.59991	1.3
791.61597	0.2
819.61023	0.2
885.65289	0.8
903.66638	100.0
904.66785	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	959.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.4
70.50686	0.9
71.01380	14.8
73.02950	4.6
83.01410	1.9
85.02977	5.2
87.00908	4.7
89.02447	22.9
91.16390	0.9
95.01414	1.1
97.02988	1.9
101.02454	18.3
111.08167	21.1
111.75617	1.0
113.02438	9.8
119.03497	4.4
125.02471	7.2
127.07651	1.5
132.79083	1.1
151.11304	2.3
153.12852	1.4
161.04605	2.2
164.06218	1.0
169.12357	9.2
179.05582	2.1
181.12331	1.8
183.13956	1.8
197.11862	86.1
199.13399	4.5
211.13423	16.1
227.12904	1.8
235.08269	6.3
251.20192	62.3
263.20236	6.4
273.18619	1.3
291.19736	13.9
305.08951	1.5
309.20767	100.0
313.76590	1.1
397.13580	66.8
415.14600	21.7
649.34662	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	957.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	1.0
71.01379	12.0
72.99303	0.6
73.02964	0.8
81.03486	0.6
83.01395	1.1
85.02952	3.5
87.00867	3.0
89.02441	15.7
93.03420	0.5
93.93348	0.6
95.01355	0.9
97.02955	2.8
99.00860	0.7
101.01847	1.0
101.02441	11.0
111.14558	0.6
113.02444	5.4
113.96129	0.5
115.20148	0.5
119.03507	4.2
123.08203	0.6
125.02462	4.2
125.09731	1.4
125.25320	0.6
131.03465	0.6
133.04944	0.6
143.03485	0.7
151.04022	0.9
151.07628	0.6
152.08475	1.0
153.12781	0.7
161.04536	2.1
162.10451	0.9
163.11304	5.4
165.12823	10.6
179.14441	3.3
181.12357	3.3
193.15968	3.0
199.06616	0.6
209.11894	4.0
209.15427	0.9
223.13461	2.9
235.08289	5.1
247.20703	11.3
249.18629	30.1
253.09274	1.1
273.18604	3.2
287.07578	0.8
291.19702	80.2
300.17389	0.7
305.08914	0.9
309.20752	100.0
370.47733	0.6
397.13593	39.7
415.14600	14.3
579.20978	0.6
647.32849	3.4
658.17212	0.8
664.25525	0.6
911.33362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.357
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09782	0.5
69.20675	0.4
71.01391	1.7
73.54970	0.3
73.93272	0.3
83.01384	9.4
89.02441	0.5
92.10823	0.7
93.03459	6.3
101.02419	0.8
107.01389	11.2
113.02461	0.7
119.05022	28.1
120.05236	0.4
121.02978	0.5
125.02431	1.5
137.02423	0.6
145.03000	0.8
149.02483	0.5
151.00378	48.4
161.06088	0.4
165.01917	2.4
165.05420	0.4
165.08974	0.4
169.01402	2.6
175.00380	1.9
177.01981	4.4
185.06099	1.6
187.04015	0.9
193.01486	0.9
227.07210	0.7
241.09624	0.4
245.06699	2.3
271.06143	100.0
272.06540	1.9
295.06281	1.9
313.07245	0.5
343.15280	0.4
433.11526	2.2
471.22461	4.2
475.12476	1.6
499.93716	0.5
573.27374	0.7
853.53363	0.4
947.36432	2.9
962.94678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	0.8
73.02948	0.4
83.01395	9.3
89.02493	0.7
92.25251	0.5
93.03440	5.2
101.02456	2.1
107.01395	13.4
113.02455	1.0
117.03459	0.7
119.05017	31.0
120.05370	0.4
123.93858	0.4
125.02414	2.5
131.01379	0.5
133.02985	0.4
135.04504	0.5
136.01707	0.4
137.02460	0.9
145.02971	1.5
149.02475	0.8
149.07471	0.4
151.00374	46.9
157.94543	0.4
161.04639	0.5
161.06111	0.8
165.01942	2.8
169.01413	3.7
175.00366	2.9
175.03958	0.4
177.01932	5.6
185.06158	0.6
187.03992	1.6
193.01413	0.7
210.16003	0.4
227.07210	1.0
245.06670	1.9
253.05052	0.5
259.06146	0.9
271.06137	100.0
272.06454	2.4
295.06143	2.0
313.07129	0.7
325.07645	0.6
433.11597	1.9
471.22403	4.4
475.12570	1.9
517.13837	0.9
780.72961	0.5
858.94647	0.5
947.35767	1.9
954.41333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.7
73.02948	0.6
73.15291	0.4
79.16120	0.4
83.01392	9.4
85.02982	0.6
86.46479	0.4
89.02458	0.9
93.03468	7.5
96.96051	0.6
101.02453	3.0
107.01400	13.4
113.02488	1.7
119.05023	35.2
121.03056	0.5
125.02451	3.1
137.02440	0.7
138.06909	0.5
139.03909	0.4
145.03001	2.0
150.03198	0.5
151.00385	52.2
152.08479	0.5
153.09215	2.2
161.04572	0.7
161.05994	0.6
163.03981	0.6
165.01915	2.7
165.05739	0.5
169.01433	2.9
175.00406	2.3
177.01976	6.9
185.06116	1.0
187.04044	1.7
193.01396	1.0
193.05055	0.7
205.12396	1.7
206.83975	0.4
222.69191	0.5
227.07202	2.0
229.04967	0.6
245.06651	3.4
251.77451	0.5
269.04553	0.7
271.06155	100.0
295.06152	1.7
313.07440	0.6
385.18759	2.6
433.11346	1.7
455.22656	0.5
469.20978	5.8
471.22321	0.7
475.12598	2.3
511.22775	0.6
673.26752	0.6
679.85822	0.5
778.97876	0.5
858.94702	0.5
945.33881	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	945.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	20.4
72.78231	1.2
73.02940	2.6
78.95904	17.7
81.03458	1.4
83.01381	1.7
83.05045	5.7
85.02958	6.4
86.69500	1.4
87.00883	5.3
87.47672	1.2
89.02424	20.1
89.02845	1.4
96.96959	2.5
97.02937	2.4
99.00880	1.6
101.02428	16.7
113.02428	10.6
114.41495	1.3
119.03483	5.2
125.02455	5.9
131.33868	1.5
143.03531	1.5
152.99588	24.5
161.04591	2.1
163.11308	2.5
165.12907	2.1
171.00650	12.8
179.05614	4.7
209.11852	100.0
227.12857	6.2
235.08238	6.7
255.23323	8.2
277.21732	56.7
379.12442	8.9
397.13574	48.3
407.22324	2.9
415.14664	9.1
558.72711	1.5
599.59473	1.7
675.36066	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	939.6434
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05032	1.2
92.10855	0.7
95.47979	0.2
99.88557	0.2
107.29576	0.2
117.07447	0.2
127.35468	0.2
131.08917	0.2
137.02383	0.3
138.58891	0.2
144.88753	0.2
151.00365	0.4
184.50748	0.2
193.86090	0.2
225.16100	1.1
340.34805	0.2
449.30103	0.3
451.32880	1.1
865.47668	0.3
903.66626	2.9
939.64301	100.0
940.64374	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	943.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42528	2.3
71.01377	11.3
73.02951	2.9
85.02946	2.8
87.00876	5.6
89.02438	9.9
97.02960	5.1
99.00891	22.0
101.02435	10.7
113.02456	4.6
125.02423	3.5
125.09681	8.8
160.53746	2.3
163.11258	12.9
181.12361	27.8
199.13365	3.4
207.10286	69.0
225.11343	100.0
227.12299	2.4
243.12364	44.5
277.21695	37.1
317.16287	3.1
347.94052	3.0
605.24432	19.5
623.25751	31.2
883.30988	4.2
883.47058	96.8
962.58813	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	931.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	5.3
70.66740	0.5
71.01383	1.1
71.88731	0.6
73.02944	0.6
74.43801	0.5
83.01393	9.4
84.52898	0.7
84.99328	0.6
93.03461	7.9
101.02425	1.3
107.01407	12.5
113.02509	0.6
115.58794	0.5
119.05020	34.8
120.34071	0.6
125.02444	2.6
137.02472	1.1
145.02917	1.4
150.03291	1.1
151.00381	49.7
151.03914	0.8
165.01903	3.4
169.01447	2.7
170.73514	0.6
175.00365	1.4
177.01866	6.1
180.42369	0.7
187.04065	0.8
241.79619	0.7
245.06636	0.9
271.06143	100.0
272.06516	1.0
295.06281	0.8
313.06860	1.0
433.11435	1.0
433.63397	0.9
433.69016	0.7
455.22882	1.3
475.12622	1.3
530.96765	0.7
541.02161	0.6
878.59473	0.7
931.35577	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	931.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	5.3
71.01372	0.7
73.02927	0.4
83.01382	10.0
83.01817	0.6
84.69603	0.4
93.03459	6.1
101.02434	0.7
107.01391	13.3
113.02381	0.4
119.05018	34.8
121.02916	0.6
125.02454	2.1
136.01721	0.5
137.56674	0.4
143.05083	0.5
145.02989	0.9
151.00377	47.6
161.06055	0.4
165.01907	2.1
169.01479	2.8
175.00394	2.1
177.01956	5.8
185.06123	2.0
187.04073	0.9
193.01445	0.5
195.00000	0.4
227.07172	0.8
245.06744	1.6
271.06146	100.0
272.06479	1.7
295.06052	0.8
313.07419	0.6
397.85938	0.4
433.11380	2.7
455.23026	2.8
475.12430	1.8
820.47321	0.5
931.36279	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	929.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68809	1.6
71.01381	16.7
73.02950	2.4
79.56876	2.0
85.02953	3.3
87.00890	3.8
89.02428	17.4
101.02448	21.3
113.02466	8.4
119.03494	2.8
125.02461	4.4
161.04567	2.7
183.13887	4.4
211.13426	100.0
277.21747	65.7
287.07721	2.2
379.12558	10.1
397.13492	43.3
404.13522	1.9
415.14560	4.6
519.94995	2.3
591.27008	4.7
609.28027	2.9
657.34961	2.3
674.12408	2.0
675.36237	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	929.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	5.3
71.01390	1.4
73.02927	0.3
83.01385	8.5
85.02943	0.3
93.03448	7.0
97.02924	0.3
101.02443	1.6
107.01389	13.1
113.02443	1.0
119.05016	33.7
121.02975	0.4
125.02436	2.2
131.01361	0.4
134.03737	0.3
137.02426	0.5
143.05019	0.3
145.02943	1.5
151.00371	45.4
161.04555	0.5
161.06013	0.3
164.15395	0.3
165.01927	2.4
169.01422	2.4
175.00374	1.6
177.01920	5.8
185.06111	1.0
187.03947	1.3
192.11433	0.3
193.01436	0.6
199.59111	0.3
206.51242	0.3
207.13901	1.7
227.07246	1.2
245.06601	2.5
271.06146	100.0
272.06494	1.3
295.06094	1.2
313.07190	1.3
360.16092	0.3
368.06287	0.3
433.11502	1.6
437.76306	0.3
439.41669	0.2
443.87085	0.3
453.21448	2.9
475.12274	1.9
517.13824	0.6
914.00024	0.3
929.33728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	4.5
71.01378	1.3
72.99314	0.4
73.02943	0.6
81.20923	0.3
83.01385	9.5
84.55360	0.3
85.02956	0.6
89.02448	1.3
93.03443	6.0
99.04480	0.7
101.02441	2.0
101.15536	0.3
107.01389	11.8
113.02496	0.5
119.05019	32.4
121.02960	0.6
125.02448	2.1
137.02492	0.5
143.04982	0.6
145.02942	0.6
149.02440	0.3
150.03151	0.6
151.00374	48.1
151.12694	0.3
161.06047	0.7
165.01952	2.9
165.05550	0.6
168.65413	0.3
169.01447	3.6
175.00339	0.7
177.01904	5.6
185.06042	0.8
187.04097	1.2
192.17628	0.4
192.55779	0.4
193.01442	0.5
227.07144	0.7
245.06700	1.9
271.06143	100.0
272.06650	1.5
295.06100	1.5
305.08887	0.7
313.07169	1.4
338.60913	0.4
339.23672	0.3
366.25128	0.4
433.11594	1.7
453.21573	2.7
475.12454	1.2
577.15656	2.3
624.65710	0.4
929.35669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	6.1
71.01382	0.6
79.60655	0.2
79.89709	0.2
83.01393	8.9
83.04990	0.2
85.02972	0.3
90.91644	0.2
91.62824	0.2
93.03459	7.6
101.02449	1.0
107.01396	13.6
107.47652	0.2
113.02515	0.5
119.05027	34.5
121.02948	0.5
125.02479	2.5
131.01428	0.3
133.02861	0.2
136.01701	0.2
137.02426	0.6
143.05052	0.3
145.02939	1.7
149.02454	0.4
151.00377	50.4
152.00598	0.2
154.29414	0.2
161.04642	0.5
161.06088	1.0
162.85902	0.3
164.01122	0.3
165.01909	2.3
169.01427	2.4
175.00417	2.1
177.01929	6.8
185.06096	1.2
187.04034	1.3
192.11565	0.3
193.01378	0.4
207.13933	3.1
227.07106	1.5
245.06715	3.1
253.05016	0.4
255.64066	0.3
271.06146	100.0
272.06461	1.6
273.17450	0.3
283.86679	0.3
295.06161	1.3
306.94940	0.2
313.07266	1.2
433.11670	1.8
453.21378	3.3
475.12549	1.9
495.22095	0.3
517.13678	1.0
924.54901	0.3
929.34784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13924	1.4
71.01379	18.2
71.54754	1.3
73.02947	3.1
80.39401	1.7
81.03497	1.6
83.05030	2.9
85.02970	2.3
87.00884	3.1
89.02432	21.0
97.02950	3.6
101.02433	16.0
105.75306	1.5
113.02453	8.9
115.61764	1.4
119.03503	7.4
125.02457	6.6
161.04506	1.9
163.11244	3.4
165.12762	2.5
181.44009	1.4
183.69598	1.7
209.11859	100.0
227.12915	11.6
227.70076	1.6
233.80939	1.5
235.08202	2.6
255.23315	66.8
379.12415	12.5
397.13580	35.8
415.14731	6.6
455.08661	1.5
653.37720	2.7
653.71802	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	925.408
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	26.5
73.02958	3.0
73.93036	1.1
83.01417	2.2
85.02962	9.3
89.02454	13.8
95.01377	1.7
96.96011	12.7
101.02436	16.9
109.02979	1.4
113.02489	9.6
119.03503	2.5
121.02940	5.2
122.03720	1.4
134.03775	1.7
138.06891	10.1
139.07648	5.2
149.02448	72.4
150.03227	20.4
151.07677	11.4
152.08443	16.0
153.09219	44.0
161.04596	9.5
163.11284	1.6
164.04779	22.5
165.05586	21.7
166.06161	1.8
167.07132	2.3
177.05495	1.4
191.75735	1.3
195.06665	8.3
202.91110	1.3
205.12383	18.0
208.03792	1.4
223.06181	2.9
223.08682	1.2
223.13451	14.5
224.02092	1.3
265.68372	1.3
283.06067	1.9
283.09738	1.5
311.05823	2.2
312.06244	1.4
314.11636	33.3
329.13983	100.0
330.14279	2.1
342.06375	1.3
377.16110	57.3
385.18802	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	915.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	36.4
78.96326	2.0
92.11545	1.0
96.92008	1.0
96.96956	2.8
100.57333	1.2
107.49718	1.3
152.99590	70.0
171.00652	18.6
208.93951	1.2
227.03317	2.3
245.04323	66.1
253.21736	26.4
277.21497	2.0
330.73074	1.4
373.21640	1.1
433.23492	2.4
481.25751	100.0
539.98114	1.3
759.12946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03510	3.9
83.01409	5.0
87.05654	18.0
88.04050	37.3
89.02467	2.9
98.06155	3.8
100.04037	30.5
101.02473	4.1
112.04072	11.7
113.03602	4.3
124.04072	13.3
126.05595	5.4
127.05128	17.4
127.08793	5.6
128.03558	41.3
128.07217	4.2
129.06718	14.6
141.14815	3.0
142.05110	6.7
143.08308	5.9
154.09897	22.6
156.11490	12.3
159.07811	4.0
171.07843	10.9
184.06235	3.2
187.54776	3.5
189.08852	6.4
199.10948	3.7
202.07341	12.5
216.13583	11.5
221.09326	4.1
228.13641	5.0
238.11952	13.2
260.12527	4.3
282.11050	12.5
371.15802	4.2
396.41199	3.1
416.87991	3.2
421.85675	3.2
592.56232	3.1
713.18555	3.8
902.36670	4.5
920.37567	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	905.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80441	0.2
71.01389	5.5
73.02961	2.5
76.57980	0.2
78.95892	0.2
83.01389	1.6
85.02959	3.2
87.00878	0.5
89.02448	2.0
90.65901	0.2
90.97323	0.2
95.01421	0.3
99.00897	1.0
101.02444	5.9
111.00917	0.2
113.02455	2.5
119.05022	100.0
120.05347	1.0
125.02354	0.3
146.73199	0.2
159.03050	0.3
161.04597	0.5
163.04012	64.2
164.04321	0.2
166.06354	8.1
167.07097	0.4
181.08714	11.8
183.66475	0.2
188.86061	0.2
235.02737	0.2
246.29776	0.2
251.09248	0.2
304.29410	0.2
325.09351	5.3
328.95273	0.3
339.11987	0.3
343.14032	10.7
417.17752	1.1
579.23041	31.3
580.23022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	4.5
71.01408	0.9
74.63264	0.7
76.51203	0.6
77.10349	0.7
77.24531	0.6
83.01399	5.2
93.03463	7.2
99.04559	1.7
101.02454	2.7
107.01398	13.4
119.05023	31.4
121.02918	0.8
125.02434	1.7
151.00375	49.1
161.05936	0.8
165.01898	1.2
166.09981	0.7
169.01411	1.7
175.00371	1.3
177.01926	3.5
187.04002	1.2
225.11333	1.0
245.06667	3.1
271.06131	100.0
305.08694	2.4
313.07175	2.7
433.11227	3.7
447.13763	0.9
475.12476	3.7
577.15729	12.4
799.04272	0.8
868.94098	0.8
930.03979	0.8
942.46216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	17.2
71.30038	3.2
83.01376	3.1
89.02441	8.2
97.02931	4.6
99.00902	14.8
101.02427	13.5
113.02475	4.2
125.09682	3.6
152.99619	4.0
163.11299	7.3
171.10245	15.3
181.12346	18.6
199.13397	14.2
207.10321	37.1
225.11360	69.7
235.41078	4.1
243.12424	35.3
253.97243	3.8
277.21878	26.8
585.77869	4.1
653.85138	4.9
901.48035	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	903.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23331	0.4
71.01387	2.4
71.24185	0.4
73.12431	0.5
74.89433	0.5
85.02931	0.8
89.02443	4.1
99.32655	0.4
101.02464	2.2
113.02486	0.7
119.05029	100.0
121.02873	0.6
126.03024	0.5
163.04027	68.9
164.04604	0.5
179.05663	0.9
179.07132	11.2
183.04768	0.5
185.02150	0.6
189.97214	0.5
275.23578	0.5
325.09360	7.0
403.64325	0.5
415.16110	5.7
577.21448	10.2
769.77185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.1
91.67439	1.1
92.10710	1.3
93.03490	1.3
101.02455	1.1
103.57436	1.0
112.10629	1.0
115.61604	1.2
117.03468	12.4
131.01363	1.7
149.02428	1.0
161.02431	5.6
161.04559	1.3
163.03967	1.5
173.02438	5.2
175.00366	15.9
180.53329	1.1
190.40898	1.1
203.53134	0.9
234.32222	1.3
249.05267	1.2
269.04538	7.2
281.04520	6.4
283.06116	22.4
293.04602	100.0
295.06326	1.3
311.05667	49.0
314.04388	4.5
323.05505	10.1
335.05338	1.1
341.06747	5.9
457.11664	4.7
518.83136	1.2
737.19446	4.9
797.97064	1.4
901.26062	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	901.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	4.2
67.62669	1.9
71.01398	3.9
82.69384	2.1
83.01380	19.4
87.23000	2.3
89.02465	3.2
93.03457	10.1
101.02435	4.5
107.01399	4.4
113.84182	2.2
119.05037	35.3
125.02424	13.2
133.50287	2.3
137.02457	2.1
143.05011	9.9
145.02904	4.8
151.00371	27.1
157.06607	12.5
159.04518	35.3
175.07663	4.1
181.06561	2.4
183.04437	3.5
185.06065	3.7
187.03992	3.1
199.07692	5.3
201.05583	55.4
207.04532	10.9
225.05598	13.6
227.03471	4.3
229.05141	4.1
243.06628	12.2
250.99591	2.6
251.03537	51.8
265.05173	3.9
267.06744	5.3
269.04663	3.5
293.04578	3.1
309.07819	2.9
311.05600	39.9
315.06458	2.6
335.05640	11.3
351.08835	14.7
353.06500	17.6
359.05728	9.0
371.09286	17.9
377.06586	9.4
385.03397	2.7
389.10458	16.8
395.07733	4.6
397.07053	2.9
403.04752	3.7
415.08188	4.2
479.11478	9.0
523.10156	28.8
541.11432	38.9
552.61102	2.3
620.03345	2.5
703.16711	100.0
704.17242	2.5
901.34845	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	899.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73847	1.5
66.39205	1.4
69.13570	1.4
71.01385	2.3
71.27058	1.7
80.77782	1.7
82.01891	1.6
83.01391	3.8
89.02432	2.1
92.10822	4.8
93.03484	9.0
95.72435	2.0
103.28118	1.6
107.01411	4.0
114.38275	2.2
117.03475	25.6
119.05054	1.9
119.43485	1.6
125.02441	14.3
151.00374	11.3
154.93915	1.8
159.04526	7.8
161.02423	2.3
181.06609	14.8
207.04596	4.1
223.04013	3.5
225.05605	53.9
249.05611	13.2
251.03494	47.8
267.06680	18.2
275.03601	7.1
293.04605	24.6
317.04892	2.2
319.02399	6.2
369.07776	12.8
387.08829	58.7
393.07947	3.5
407.29544	2.2
413.06686	45.3
429.09863	2.4
435.08606	9.2
437.06500	3.2
477.09851	17.0
521.08813	12.2
539.09900	100.0
540.10284	3.4
701.15277	47.6
755.63409	2.0
863.20850	2.8
906.50958	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	895.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02655	2.0
64.23854	2.2
70.44360	2.4
71.01383	2.2
83.01387	2.5
85.82236	2.1
93.03461	9.8
107.76867	2.2
110.19408	2.6
117.03458	23.3
119.05029	4.8
121.02991	3.1
123.04510	12.4
143.65491	2.2
145.02913	3.3
146.03749	24.2
148.97800	2.1
149.02431	3.2
150.03232	23.5
151.00383	4.2
151.03987	20.5
157.84561	2.1
159.04518	12.1
161.06038	3.9
163.00328	3.5
164.04785	13.9
165.05650	3.5
179.07089	9.2
189.42162	2.1
207.95863	2.3
209.12102	2.5
223.04025	9.6
225.75175	2.7
227.03571	3.4
240.04250	4.2
241.05014	18.3
253.05014	4.1
265.04819	2.4
267.03070	3.3
271.06122	9.5
319.05893	3.1
331.06274	3.6
375.05042	5.2
386.04330	3.8
387.05164	19.4
389.06537	4.2
399.05069	3.7
401.06696	36.2
405.01044	2.9
508.07831	3.6
520.07776	8.6
523.10278	17.1
535.10400	4.4
553.11664	18.5
630.37860	2.5
715.14691	100.0
895.22522	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	891.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
73.60181	0.4
86.53711	0.4
91.93055	0.4
99.92580	8.7
103.31302	0.5
114.93416	0.7
116.92854	100.0
116.97282	0.7
117.01922	0.7
117.92855	1.0
140.56059	0.5
179.04951	0.4
241.54311	0.5
276.13150	0.5
771.99829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.225
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05167	1.5
71.01383	2.1
83.01392	3.1
89.02493	1.6
93.03471	3.7
96.16632	1.8
103.67146	1.6
117.03426	21.3
119.05077	3.2
121.02960	3.6
123.04522	9.7
135.00951	1.9
135.04575	2.2
137.02449	2.0
146.03757	23.0
150.03229	15.9
151.00400	2.2
151.03996	12.8
159.04498	11.3
161.02457	3.6
161.06169	3.1
163.00343	6.9
164.04791	15.2
167.67525	2.0
177.01932	1.8
179.07175	8.7
181.16890	1.7
195.04716	2.2
208.10745	2.2
209.11804	3.4
223.04047	10.3
227.03378	2.7
240.04254	2.9
241.05107	12.3
253.05109	3.8
267.03052	2.5
271.06177	3.8
331.06143	2.2
345.04184	2.1
375.04962	3.0
387.05096	21.6
389.06839	7.1
399.05057	3.2
401.06717	27.1
429.06326	3.4
505.08926	1.8
507.07114	2.6
509.08572	3.2
520.08313	6.8
523.10510	17.1
535.10529	3.9
553.11646	12.0
644.03491	1.9
697.13049	3.1
715.14740	100.0
716.14783	3.5
860.71558	1.8
895.22540	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	889.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	21.4
73.02968	2.0
85.02948	5.1
86.51422	1.0
87.00866	5.3
89.02433	19.3
89.02923	1.2
95.01449	1.4
97.02966	2.0
97.60107	1.2
101.02438	15.9
113.02442	7.7
119.03463	4.6
125.02427	5.8
126.45955	1.4
127.11243	1.4
143.03549	1.5
161.04492	2.1
169.22615	1.2
171.10272	100.0
191.77301	1.3
235.08275	2.5
249.70360	1.3
277.21725	83.3
288.65112	1.3
305.09189	1.7
379.12509	11.0
397.13577	39.9
415.14679	5.4
551.23932	1.6
675.36096	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	885.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	1.3
71.01379	16.2
73.02959	1.7
75.79309	1.2
83.05030	6.2
85.02959	2.4
87.00904	1.8
87.58318	1.3
89.02445	14.2
97.02936	1.7
101.02425	12.7
113.02464	7.7
119.03469	2.8
123.75848	1.2
125.02435	6.3
137.12541	1.2
145.52676	1.4
158.55951	1.3
163.11250	2.8
165.12807	2.3
165.84039	1.3
192.67143	1.5
209.11859	100.0
227.12923	12.5
235.08308	2.9
273.78314	1.4
277.21753	55.3
282.61697	1.4
365.55817	1.6
379.12445	1.7
392.75443	1.4
397.13495	35.6
414.82932	1.3
415.14667	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	889.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	15.2
71.36533	0.8
72.99298	0.9
73.02977	3.2
83.01419	1.0
85.02975	5.3
87.00908	4.2
89.02443	17.4
91.69292	0.9
95.01431	1.3
95.31953	0.7
97.02946	1.8
98.87948	0.8
99.00901	1.2
101.02443	12.0
104.20296	0.7
113.02474	5.7
114.19348	0.8
119.03511	4.5
121.92143	0.8
125.02457	7.6
127.11301	1.9
143.03537	1.7
155.10574	0.8
158.09549	0.8
161.04523	3.4
171.10272	100.0
179.05533	3.9
209.11916	1.1
212.89870	0.9
221.06660	1.3
235.08243	4.6
253.09386	1.1
259.08112	1.1
276.64963	1.0
277.21725	61.9
287.07822	3.1
305.08752	1.0
369.32919	0.9
379.12442	14.6
397.13562	36.3
415.14587	6.2
483.52127	0.9
514.18445	1.1
551.23517	4.5
569.24377	5.4
657.35193	1.1
675.35632	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	885.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.6
71.01382	11.8
73.02958	1.9
83.05024	3.1
85.02937	2.0
87.00893	1.4
89.02435	11.8
95.01398	1.7
97.02934	2.3
101.02442	8.9
102.40593	1.4
113.02473	6.2
125.02419	2.5
155.86369	1.3
163.11230	5.6
165.12859	2.1
177.70497	1.5
202.35698	1.6
208.99779	1.4
209.11861	100.0
227.12872	9.9
235.08055	1.9
277.21719	37.2
294.24152	1.4
328.35364	1.8
379.12289	6.0
397.13547	25.8
415.14743	3.2
494.26477	1.5
688.46008	1.7
763.94202	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	881.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95551	1.8
70.57281	1.9
71.01389	10.2
83.05051	2.9
85.02989	2.3
88.52979	1.8
89.02457	8.1
92.10704	1.9
98.85246	2.0
101.02463	8.9
103.73766	2.0
113.02451	3.8
115.07607	1.9
125.09723	4.4
135.08127	2.4
153.09204	16.4
163.11302	3.7
164.97874	2.0
171.10239	16.9
175.82228	2.0
185.11877	4.7
197.11879	9.5
209.09840	3.0
209.11855	77.3
238.12050	2.3
245.19212	3.4
253.09329	12.1
253.34764	1.9
255.23335	2.6
277.21738	100.0
289.18085	25.5
307.19193	91.3
321.03104	2.1
325.20276	28.8
525.27228	7.5
543.28046	27.1
581.57153	2.5
734.42767	7.8
803.49603	30.7
821.50812	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	885.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	2.8
64.02078	0.1
64.99961	0.2
65.00320	6.9
66.25458	0.1
67.63567	0.1
68.28999	0.1
71.01387	0.6
81.03488	0.1
81.58786	0.1
83.01384	8.5
85.02966	0.3
93.03452	7.0
97.02904	0.2
99.04502	0.2
101.02425	1.0
106.36088	0.1
107.01392	14.8
108.99364	0.2
113.02473	0.6
117.03443	0.1
119.05020	37.4
120.05337	0.2
121.02946	1.2
125.02448	1.9
131.01375	0.5
133.02921	0.1
136.01682	0.2
137.02461	0.5
143.03488	0.2
143.05023	0.6
145.02934	1.2
148.05313	5.6
149.02405	0.4
151.00375	51.0
152.00734	0.5
152.26093	0.1
157.06607	0.2
161.04584	0.5
161.06071	0.9
163.07617	2.4
164.01085	0.2
165.00656	0.2
165.01924	2.7
167.03543	0.2
169.01439	2.4
175.00362	1.9
177.01926	6.0
184.05215	0.1
185.06087	1.2
187.04034	1.5
189.01891	0.2
193.01396	0.9
199.07635	0.2
199.44461	0.1
209.06111	0.2
227.07216	1.7
229.05049	0.6
245.06677	2.1
271.06152	100.0
272.06500	1.8
285.07785	0.2
295.06152	0.9
313.07166	1.0
363.42630	0.1
383.20334	0.1
409.15167	0.9
415.10498	0.2
433.11514	1.4
475.12534	1.4
517.13824	0.2
726.35461	0.1
885.27930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01859	0.1
71.01376	0.3
73.02935	0.2
74.57632	0.1
85.02951	9.3
87.00874	3.3
87.01373	0.2
93.03453	1.1
104.23433	0.1
108.69696	0.1
109.02967	0.6
111.00876	0.5
111.04527	0.7
127.04009	4.1
129.01906	0.2
137.02399	0.2
145.05084	0.5
171.03035	0.5
173.04547	1.7
184.81042	0.1
191.05634	100.0
192.05933	0.7
208.11050	0.1
533.16931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01026	0.9
71.01369	6.1
73.02957	0.7
83.05048	0.8
85.02950	1.5
87.00873	1.2
89.02456	3.6
97.06601	0.9
101.02421	6.0
113.02436	1.4
123.04576	0.8
127.07656	1.2
153.09195	5.4
161.04564	1.3
163.11307	1.3
165.12840	0.9
171.10255	4.6
178.10011	0.9
185.11870	1.7
197.11807	3.3
209.11842	21.7
235.08234	5.6
236.10565	1.0
245.19073	1.4
253.09354	7.3
277.21732	100.0
289.18085	9.7
307.19180	27.6
325.20294	9.5
525.27142	3.6
543.28253	4.0
660.94006	0.7
723.61700	0.8
734.42468	1.6
772.29187	0.7
803.49652	17.8
821.50891	5.4
881.51202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.24474	0.8
65.64787	0.7
76.26393	0.8
111.15761	0.8
127.86305	0.9
149.52872	0.9
151.80431	1.0
157.06467	1.0
228.02046	0.9
297.29996	0.9
369.23300	1.1
537.36481	1.0
551.24683	1.1
717.98633	1.3
741.91412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.507
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47366	0.7
66.99312	0.7
71.01376	7.7
71.05014	1.5
72.02153	1.5
80.02676	0.8
81.13689	0.7
83.01395	1.0
83.05040	5.2
84.02189	4.0
95.05043	1.1
97.06575	1.6
98.03717	0.8
99.04529	1.1
99.08184	3.8
107.01377	1.1
108.02280	0.9
109.06630	1.4
111.08183	1.0
115.07675	1.3
119.05070	0.8
125.06087	1.4
125.09703	5.9
127.07640	18.4
128.16969	0.7
134.03711	0.9
135.08206	3.1
137.09691	1.5
139.07602	6.0
141.09233	1.7
151.00417	3.2
153.09206	14.0
155.10797	3.2
163.11273	4.6
164.01205	1.0
165.12823	1.7
171.10278	12.1
178.09911	2.9
185.11835	24.4
191.10770	2.8
191.14491	1.4
197.11844	22.9
207.10323	1.5
209.11856	94.6
227.12914	1.1
236.10587	1.6
238.12109	6.6
239.16599	1.0
245.19099	4.5
253.09331	0.9
255.79276	0.8
256.13126	4.1
263.20224	1.6
265.18008	1.2
271.06229	1.9
279.19675	2.9
281.21399	0.8
286.04886	3.2
289.18161	13.4
291.19681	5.9
297.20648	1.4
297.44678	0.8
307.19199	96.9
308.19547	1.4
309.20782	4.9
314.41797	1.0
325.20267	100.0
383.11401	4.7
448.10516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50155	1.2
60.86825	1.4
65.55676	1.7
71.01377	16.8
73.02959	1.6
80.96540	6.6
83.01384	1.6
85.02944	2.0
87.00874	6.2
89.02436	17.6
95.91205	1.5
97.02972	1.7
101.02440	15.8
113.02453	6.1
116.92863	3.1
119.03495	6.4
125.02412	7.4
143.03561	2.1
161.04573	3.3
171.10265	100.0
179.05540	2.1
188.99994	1.5
217.07074	1.9
225.00798	2.1
235.08345	3.5
255.23326	83.5
287.07797	2.0
291.44238	1.6
379.12491	17.4
397.13544	38.0
415.14624	5.9
551.23785	1.8
653.37714	9.1
867.51135	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	865.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05381	1.0
62.06639	0.9
65.88883	1.0
71.01385	4.4
74.52498	0.9
80.96525	1.8
89.02434	2.2
89.83945	0.9
92.10812	2.0
97.02960	1.0
101.02445	2.4
111.28281	1.0
113.02451	1.0
125.09741	1.3
161.04578	1.4
163.11299	4.3
165.12869	5.9
177.12907	1.6
183.55626	1.0
199.89429	1.0
223.13287	2.4
247.20750	9.1
253.09276	14.3
273.18567	2.0
277.21744	93.5
291.19699	100.0
309.20746	83.9
433.37003	1.4
527.28406	1.3
592.07336	1.2
613.89307	1.3
865.49689	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	865.2213
Annotation	Ormocarpin
Peak:m/z	Relative Intensity
61.98830	3.1
65.00336	11.4
71.01376	4.7
75.23099	2.5
83.01378	5.6
84.18826	2.4
93.03464	5.7
101.03487	2.7
107.01385	13.6
116.92903	2.8
119.05033	50.9
125.02399	4.9
136.98795	3.8
137.02518	3.9
143.05042	5.5
145.02988	10.0
151.00394	38.1
152.90428	3.2
153.12329	2.7
164.01212	3.1
165.05553	3.5
166.99815	3.5
177.01993	11.0
181.06610	2.9
187.80080	2.9
196.00032	3.5
201.05667	5.8
212.06029	3.8
225.05540	4.5
241.04980	22.5
243.06708	3.2
253.06187	15.1
268.08630	4.4
269.04587	42.0
270.05350	20.8
271.06122	22.3
281.09311	4.8
283.05859	3.3
295.06137	4.7
295.10846	6.2
295.98828	3.6
297.12427	3.5
389.10449	36.6
395.07654	16.5
421.05215	4.0
497.12354	11.5
501.90616	3.3
541.11517	42.4
551.15582	13.3
586.64362	3.4
703.04761	4.0
703.16718	100.0
865.22150	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	865.221
Annotation	Ormocarpin
Peak:m/z	Relative Intensity
61.98827	1.1
65.00334	4.1
66.49167	0.8
71.01396	1.4
74.94480	0.9
83.01391	7.8
89.02479	1.5
91.16131	0.9
93.03458	8.2
107.01418	6.6
117.03439	1.5
119.05026	38.0
125.02459	7.8
125.03259	1.4
137.71269	1.3
143.05013	7.9
145.02950	10.8
151.00375	23.2
157.02898	1.1
157.06613	10.8
159.04517	42.8
167.03511	1.8
175.00211	1.3
175.07616	4.2
175.17209	1.0
181.06647	1.1
183.04532	8.2
185.02458	6.5
185.06079	4.2
187.04051	5.3
199.07669	8.9
201.05595	62.0
202.51390	1.0
202.74641	1.0
202.91162	1.2
207.04504	14.7
225.05640	10.0
227.03494	5.4
229.05038	7.8
239.07414	1.1
243.06653	13.7
249.01854	2.1
249.05548	1.6
251.03522	50.7
252.03777	2.0
265.05066	5.7
265.08731	2.4
267.06622	7.0
269.04568	4.5
271.06155	1.4
273.05478	1.0
277.01288	1.1
277.04980	1.2
299.34201	1.1
307.09561	1.1
309.07706	4.1
311.05673	39.8
315.06467	1.8
317.04782	1.3
319.02438	1.5
330.08029	1.2
333.07523	2.0
333.22412	1.1
335.05701	5.8
345.11374	1.2
351.08719	15.0
353.06662	13.9
359.05615	14.2
371.09296	19.2
377.06567	10.0
385.07404	1.4
389.10367	16.6
395.07816	5.2
403.04602	6.1
411.12143	1.7
413.63132	1.2
415.08170	6.9
429.06226	1.2
439.08533	1.4
455.11209	1.5
479.11215	13.6
523.10406	38.8
541.11511	51.3
628.22382	1.1
662.65741	1.2
665.07104	1.2
685.15521	4.1
703.16821	100.0
704.16681	5.0
801.60138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34683	0.4
64.45627	0.3
64.83818	0.3
67.35258	0.3
73.02951	2.2
89.35410	0.3
99.92595	7.7
114.93398	0.8
116.92857	100.0
117.01904	2.8
117.92864	0.6
199.79491	0.3
253.06552	0.3
274.15363	0.4
324.43997	0.3
500.41776	0.3
867.58197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04941	1.3
69.06585	1.9
71.01374	15.1
73.02964	2.4
81.03454	1.6
82.79945	1.5
83.05052	3.4
85.02993	6.3
87.00891	2.0
89.02454	14.3
95.11428	1.4
97.02982	1.9
101.02444	13.8
106.63852	1.6
110.21811	1.4
113.02488	8.5
119.03523	3.1
119.63428	1.5
122.55298	1.7
125.02451	6.4
141.01694	2.9
161.04558	2.4
163.11310	2.4
179.05562	2.1
209.11868	100.0
227.12950	10.5
235.08333	2.1
239.18307	1.9
255.23317	63.1
270.10999	1.6
294.04550	1.6
311.14340	2.0
327.29703	1.6
377.67981	1.7
379.12598	5.6
397.13553	30.8
415.14786	7.2
507.68314	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	857.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	26.4
71.70566	14.8
72.89500	16.7
134.74951	15.3
209.11861	58.2
272.16376	17.6
277.21750	76.4
307.19098	100.0
325.20276	29.2
342.34070	15.7
535.60791	16.2
543.27893	28.3
642.88440	16.8
803.49591	35.1
857.47809	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98850	8.1
64.65264	7.3
73.64832	6.4
90.45614	7.6
96.94802	7.3
116.23280	7.0
129.17361	7.1
161.01901	8.0
186.29549	9.0
209.11798	15.5
235.08232	9.1
253.09247	11.0
277.21811	100.0
301.89886	8.1
307.19122	13.6
325.20160	8.8
660.55463	8.7
734.42725	9.8
803.49689	52.7
857.48596	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	860.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.4
63.02400	2.7
64.34397	0.1
64.99967	0.2
65.00327	6.7
68.44798	0.1
71.01384	0.2
74.71091	0.1
77.69966	0.1
81.60188	0.1
83.01397	7.9
85.58628	0.2
87.24624	0.2
93.03457	7.3
101.02436	0.3
107.01397	15.5
109.02954	0.2
113.02440	0.2
119.05024	39.8
120.05315	0.2
121.02921	0.3
123.03284	1.0
125.02442	1.8
133.03004	0.2
137.02408	0.3
138.01997	0.2
138.05598	7.5
143.05011	0.7
145.02934	1.6
147.34648	0.2
149.02409	0.3
151.00378	52.4
152.00673	0.2
157.06451	0.2
161.02432	0.2
161.06073	0.7
165.01958	2.4
169.01422	3.0
175.00330	1.7
177.01942	6.0
185.06007	1.5
187.03999	1.6
193.01440	0.8
199.07651	0.2
203.07233	0.6
215.65656	0.1
227.07135	1.7
229.05127	0.3
245.06657	1.7
253.05045	0.2
271.06146	100.0
272.06619	1.4
295.06100	1.0
300.10699	0.2
313.07150	0.9
319.57010	0.2
384.13013	1.4
426.14163	0.4
433.11368	1.4
475.12476	1.2
517.13074	0.2
760.12488	0.2
860.27167	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	849.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74512	1.6
71.01366	4.2
76.75748	1.7
78.98590	4.3
79.95732	16.3
80.96510	81.4
87.00900	2.4
92.10028	3.3
94.98069	22.2
101.02413	2.1
106.98099	1.9
114.24659	2.1
122.97540	2.2
125.02396	2.8
127.04106	2.0
147.59099	1.9
148.99124	11.9
152.98616	8.5
154.89371	1.9
162.17726	1.8
164.98648	16.4
179.38858	1.8
201.27556	1.8
206.99692	4.2
225.00793	32.1
255.23309	2.7
267.22726	2.0
530.99640	2.0
759.38171	2.3
849.50513	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	853.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29073	1.6
71.01389	2.1
74.81152	1.6
83.01402	6.8
110.06100	2.9
114.26882	1.5
122.51029	1.6
123.00912	2.7
134.06140	1.9
136.07669	31.7
138.09288	1.9
162.05571	7.4
193.07826	1.6
197.10889	3.1
213.14085	18.0
237.10291	8.4
238.11116	3.4
239.11923	34.7
249.11346	1.7
264.11389	2.9
279.10110	2.1
288.15005	1.8
290.13007	1.7
294.16199	30.3
301.09161	1.9
306.16113	14.1
314.18951	1.9
322.19217	11.9
330.16272	2.1
346.15521	3.1
348.17230	100.0
366.13589	2.7
366.18259	83.4
376.16953	1.8
378.18292	25.0
392.16281	3.2
396.19272	10.6
422.17285	31.5
429.29025	1.8
440.18344	38.5
473.23779	3.2
485.62347	1.7
564.70557	1.9
603.24701	75.6
605.26324	8.0
684.00775	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	853.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	5.3
73.02980	1.2
83.05035	2.0
85.02973	1.3
87.00882	1.5
89.02460	1.9
89.33942	0.9
97.02966	0.9
97.06602	2.2
101.02435	4.4
105.33491	0.9
109.06543	1.1
113.02465	2.1
115.61598	1.0
123.04612	0.9
125.09732	1.4
126.23540	0.9
135.08153	4.2
143.07167	6.0
153.09251	7.7
155.10751	1.5
157.08774	1.3
161.04601	1.6
181.08696	9.3
210.08922	1.3
217.16010	3.7
229.14603	1.2
235.08318	4.9
253.09267	7.8
261.15051	7.5
277.21722	100.0
278.21924	1.3
279.16019	24.3
297.17017	5.3
349.69574	1.2
354.55618	1.1
497.24609	1.5
513.30334	1.2
515.24799	1.2
522.45654	1.4
706.39386	3.9
771.90887	1.2
775.46521	9.1
793.47668	5.2
878.90643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.6
62.36048	0.6
66.48951	0.6
71.01380	16.6
73.02968	3.1
73.67538	0.6
81.95371	0.8
83.01390	1.0
85.02981	4.6
87.00902	0.8
89.02438	14.5
95.01420	1.1
101.02439	11.2
109.02975	4.4
113.02443	7.3
119.03503	5.8
121.02952	14.5
122.03738	12.6
124.01660	1.4
125.02454	5.7
129.03487	0.8
130.08778	1.3
131.03563	0.8
132.60941	0.7
135.04492	2.8
135.28052	0.7
136.05362	1.0
137.02490	3.6
138.54680	0.8
139.40248	0.7
142.46342	0.9
143.03476	1.5
145.14438	0.7
147.04561	5.3
148.05341	1.0
154.02753	1.8
155.61472	0.7
161.04587	1.4
161.05974	1.0
165.05582	28.6
179.05597	3.5
179.07172	11.6
180.56148	0.8
191.61299	0.8
217.48019	0.9
223.09940	1.3
238.83867	0.8
298.12305	1.4
313.14471	1.2
315.12341	3.2
323.09927	11.3
343.15662	1.1
346.14285	9.4
361.16617	100.0
457.07440	0.9
523.21912	60.2
570.46930	0.8
680.86530	0.9
685.27289	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	841.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
75.84690	10.6
141.71547	13.0
150.76410	11.8
187.41269	13.7
277.21631	100.0
291.19745	22.6
309.20789	52.4
330.50992	12.0
365.79288	13.0
479.92059	12.5
682.83148	14.7
841.48920	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	841.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	45.7
62.47410	16.2
74.53294	21.4
75.14631	16.8
79.07784	18.7
80.10287	18.2
83.04995	18.1
92.10708	29.2
100.70711	20.7
151.69180	19.6
277.21753	79.2
291.19830	40.3
309.20682	100.0
670.33838	26.1
841.48309	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	841.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
101.03020	16.3
117.65928	15.0
157.13853	16.0
175.95531	16.3
181.06712	14.5
196.89568	19.5
197.09795	15.8
233.08087	16.7
253.21704	19.5
277.21802	56.8
291.19537	23.1
309.20700	100.0
805.51160	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.0
59.91537	2.9
69.59796	3.3
70.37849	3.2
71.01379	8.0
72.56947	3.3
75.00832	3.3
89.02452	8.4
92.10773	15.7
97.06564	13.0
97.81293	2.9
101.02466	13.5
102.75949	3.2
110.66154	3.4
116.92886	3.1
121.60236	3.9
123.08146	4.5
125.09723	100.0
187.09769	85.4
206.24545	3.3
277.21701	15.6
309.20761	7.8
601.79327	4.0
813.06958	4.2
845.45343	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01410	1.0
63.96229	1.3
66.57265	1.2
71.01368	9.1
72.25266	1.1
73.02949	1.4
78.98585	9.2
79.95738	14.7
80.96522	100.0
85.02962	1.9
87.00889	2.1
94.98087	23.4
96.95975	1.2
101.02464	2.0
106.98154	3.8
122.97592	6.3
125.02473	2.2
134.97563	7.0
136.99167	2.0
148.99156	9.8
151.66353	1.1
152.98653	7.9
164.98662	17.4
206.99637	1.4
225.00824	21.6
251.13338	1.3
279.23276	1.4
358.47739	1.0
839.49927	76.7
840.49939	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	837.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34023	0.8
69.56596	1.0
71.01382	11.0
73.02943	1.5
78.98601	7.7
79.95728	17.1
80.96514	92.5
85.02978	2.4
87.00888	2.8
88.76492	1.1
94.98088	26.6
97.03004	1.3
99.00880	1.3
101.02450	2.7
101.64361	1.1
106.98087	5.3
122.97578	4.8
125.02448	4.6
127.03986	1.4
134.97591	8.8
148.99139	11.3
152.98662	11.2
164.98619	18.7
206.99672	1.7
225.00800	22.3
264.79865	1.2
277.21658	1.5
304.45999	1.2
340.39594	1.1
343.97241	1.2
377.07660	1.2
401.62610	1.4
559.25928	4.7
837.48370	100.0
838.48755	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	837.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.3
59.36086	0.8
69.38502	0.7
70.77255	0.8
71.01401	1.4
85.02962	0.9
89.02448	2.8
94.43368	0.8
95.04981	1.1
97.02929	0.8
97.06588	3.6
101.02467	3.5
113.02429	0.9
118.08975	0.7
123.60813	0.7
135.08171	1.6
138.96974	0.7
151.11310	1.1
161.04582	1.2
165.09167	1.6
165.12872	3.2
181.08696	0.7
197.66422	0.7
204.19188	0.8
214.83369	0.7
219.17607	7.3
229.61955	0.9
235.08246	4.3
245.15384	1.4
253.09363	8.7
263.16525	26.2
277.21744	100.0
281.17587	20.5
324.07208	1.0
621.53082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	11.0
59.27623	1.4
61.98806	1.9
70.56277	1.9
71.01396	3.6
89.02486	2.9
97.06627	2.3
101.02451	7.5
116.92853	2.3
129.44102	2.0
135.13824	1.9
163.11301	3.8
165.12830	4.0
232.26871	2.0
247.20642	10.4
249.16045	3.6
249.18608	86.6
253.09290	12.0
273.18661	2.9
277.21582	2.8
291.19708	100.0
309.20767	97.1
795.51294	2.3
837.48633	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	839.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41726	74.9
70.11020	80.2
71.11044	80.3
74.70583	82.8
132.12527	96.8
190.46434	85.5
203.35817	82.2
249.13268	100.0
265.85489	99.3
554.03186	87.6
786.38550	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.474
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47894	0.4
74.89793	0.3
79.12448	0.3
89.82011	0.4
89.83368	0.4
92.66029	0.4
99.92576	6.6
104.61098	0.4
116.92861	100.0
116.97207	0.7
117.01909	0.7
117.92854	0.6
200.84349	0.4
204.51212	0.5
440.32257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80641	1.8
65.76699	1.9
79.90117	2.0
82.95416	30.3
84.00908	100.0
84.01401	3.9
84.95146	2.5
106.35461	2.6
139.89981	2.1
147.97012	2.4
245.19528	2.5
247.34959	2.6
249.18570	23.9
275.73038	2.5
277.21695	44.7
378.70602	2.4
386.49240	2.5
444.05151	2.6
495.41174	2.4
560.40948	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	833.5191
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01383	4.3
64.12380	2.7
69.14765	2.3
78.95904	71.6
82.40694	2.3
82.99530	2.5
96.96972	15.8
99.16994	2.7
116.97229	5.4
121.75694	2.9
123.68868	3.4
141.01686	4.6
152.99573	27.7
160.61453	3.1
223.00220	6.7
241.01218	42.1
244.13774	2.8
255.23294	78.3
279.23340	67.0
297.59589	3.3
299.56998	2.8
320.37375	2.8
373.05542	3.2
391.22055	3.8
553.28217	4.5
592.49994	3.6
833.51837	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	833.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.1
71.01385	1.3
71.99782	0.3
79.14265	0.3
88.76022	0.3
89.02447	1.5
89.29518	0.3
92.54542	0.3
101.02448	1.4
104.68053	0.3
132.42867	0.3
148.91734	0.3
159.04526	0.3
165.88213	0.3
235.08151	1.4
253.09262	4.1
277.21744	100.0
278.22098	1.4
331.22443	0.4
460.00711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	13.0
60.74102	0.5
61.98840	0.8
69.03484	0.5
71.01383	10.3
73.02964	1.1
77.26017	0.5
80.02670	1.9
81.03474	2.2
83.01379	4.0
83.05034	5.3
84.02181	1.2
85.02966	1.3
87.00892	1.0
89.02451	7.3
91.30005	0.5
95.01398	0.7
95.04977	0.7
97.02964	1.3
101.02428	6.1
113.02441	4.7
119.03503	2.2
119.04984	0.9
125.02483	2.7
125.06076	0.9
128.03529	0.9
134.03751	0.6
138.03259	0.6
143.04645	0.8
145.02945	0.7
161.04523	0.8
163.11288	6.7
165.12852	2.7
179.05615	0.7
191.10776	0.9
209.11865	100.0
227.12901	12.8
235.08218	1.0
245.06503	0.7
246.95140	0.7
275.05838	0.6
323.09912	0.8
343.91177	0.6
379.12509	2.6
393.58832	0.8
397.13519	13.8
415.14450	4.0
484.62173	0.6
858.47131	0.7
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
61.98838	100.0
70.86922	0.7
91.23618	0.7
91.24231	0.7
127.65398	0.6
133.18910	0.7
149.61740	0.7
151.06001	0.7
229.47632	0.8
252.01773	0.8
277.21722	1.7
278.22098	3.1
279.22586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
59.77706	1.1
60.99314	10.1
67.11359	1.3
71.01406	2.0
82.76492	1.3
88.98811	43.9
100.49791	1.3
101.02449	1.8
108.29726	1.5
116.56071	1.4
117.03487	9.8
131.01317	1.6
137.06096	10.5
144.60854	1.5
161.02480	1.8
163.04012	1.5
173.02440	2.2
175.00391	7.2
212.58057	1.8
233.19786	1.4
269.04849	2.4
281.04694	3.4
283.06137	10.9
293.04608	100.0
294.04977	2.2
311.05679	24.8
314.04279	2.0
323.05698	3.3
335.05392	1.6
341.06796	2.8
443.19821	5.1
457.11642	3.1
575.14270	6.9
620.97357	1.7
621.38141	1.5
739.21002	32.1
740.21484	1.5
757.69885	1.6
821.76459	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	829.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70806	6.1
69.33694	6.6
99.70096	5.3
116.92864	11.8
130.10934	6.2
165.48584	5.5
165.85959	6.3
168.30766	6.3
189.50739	7.3
192.01195	6.2
210.40923	6.7
235.08261	8.7
253.09387	10.6
258.25894	6.0
261.15030	9.4
277.21780	100.0
279.16046	34.8
297.17151	7.1
416.79724	6.7
547.64539	6.4
550.84253	8.8
775.46692	27.1
829.44580	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	829.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	94.8
60.01724	1.4
74.11765	0.7
78.55479	0.8
94.98507	0.7
117.00438	1.3
145.96715	0.7
157.03590	7.4
158.54630	0.7
159.01491	16.7
160.01654	1.3
161.01244	3.3
186.01794	0.8
201.02570	100.0
202.02731	17.0
203.02332	13.3
204.40450	0.7
301.02722	4.8
302.02783	0.8
303.02579	3.3
324.16666	0.8
343.03745	30.9
344.03830	9.5
345.03616	15.0
412.84879	0.8
434.70770	0.8
785.02710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.1
61.98842	3.3
67.38486	2.7
71.01395	4.6
81.03473	22.5
83.01386	5.6
83.05021	68.1
94.95468	3.4
96.96015	30.2
100.07707	13.1
101.02469	4.1
113.50017	3.1
149.55957	3.6
151.00331	4.6
176.01016	3.2
199.18126	19.1
225.16124	7.8
240.93024	3.7
243.17113	35.5
289.86279	3.5
353.20682	6.6
469.33743	18.5
571.18768	3.7
695.51111	4.2
823.55725	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	817.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98836	2.2
70.94362	0.5
71.01390	2.9
73.17533	0.4
75.60368	0.5
87.04636	0.5
88.76778	0.4
89.02440	3.0
96.99262	0.7
101.02454	2.3
113.00988	0.5
113.02468	1.1
119.03491	0.5
125.02483	0.7
134.19511	0.6
141.01701	32.9
153.01753	0.8
196.15686	0.5
263.18445	0.5
275.67795	0.5
277.21777	10.2
359.22073	3.8
397.13519	10.8
411.76865	0.5
419.11499	2.6
437.12927	4.5
697.33765	3.8
791.16907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98833	2.4
63.42027	0.3
67.46039	0.3
71.01386	2.6
73.02951	0.4
81.81497	0.3
84.34131	0.4
89.02459	2.9
96.99315	1.7
97.02954	0.4
99.00675	0.4
101.02440	1.9
102.98875	0.4
113.02439	0.7
114.38584	0.3
119.03469	0.5
122.28071	0.3
125.02435	1.4
139.55653	0.4
141.01701	32.2
224.36578	0.3
243.04723	0.5
277.21719	7.2
359.22150	3.3
397.13513	9.2
415.14423	2.2
419.11539	1.7
437.12708	3.8
610.48004	0.4
675.35815	0.8
697.33374	4.6
698.15137	0.4
717.93323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
61.85630	0.7
61.98797	0.9
66.04037	0.7
66.70000	0.8
71.01377	1.5
72.46745	0.8
83.05037	4.9
87.39128	0.9
89.02439	1.4
92.10854	1.4
99.91696	1.1
101.02470	1.4
116.92854	11.7
126.94390	0.9
134.84474	1.1
163.11310	2.0
165.12895	3.1
176.89444	1.1
209.11856	100.0
210.12141	1.6
219.94710	1.0
227.12920	9.9
235.08308	1.8
253.09305	8.0
264.96417	1.0
267.21466	0.9
277.21744	89.9
278.21759	1.1
357.02988	1.1
373.62164	1.0
390.16159	0.9
445.20676	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	813.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32014	12.4
59.24316	14.5
68.20592	15.3
77.11136	15.6
99.10863	17.5
100.24714	16.8
107.73393	15.2
147.39250	14.9
189.18053	20.6
190.18883	15.3
190.21788	13.1
201.18604	14.4
221.41261	18.1
240.77737	15.6
277.21683	100.0
281.17572	26.3
289.13953	14.2
316.98334	17.8
611.94635	17.0
813.44733	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	813.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77011	20.0
61.98831	100.0
82.16904	22.8
116.92879	90.2
153.77000	26.8
249.18588	36.3
291.19928	38.9
309.20636	41.1
317.29092	25.9
320.97736	26.3
406.42880	29.1
457.49832	29.3
588.46545	22.5
787.63580	33.1
796.57605	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79378	100.0
78.82178	80.9
141.15613	82.4
257.00021	72.8
331.25162	84.5
340.44861	84.9
647.47034	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	11.1
59.01385	45.8
60.47316	1.9
64.33990	2.3
71.01390	43.1
73.02956	14.7
82.20079	1.9
83.01390	79.2
85.02944	22.7
89.02460	13.6
95.01399	4.7
96.96024	3.2
99.00880	2.5
99.04532	2.3
101.02440	30.8
107.01389	2.2
109.02969	3.2
113.02451	26.8
119.03464	3.0
119.04971	2.8
123.00881	100.0
124.01662	46.3
125.02443	17.4
134.19742	2.1
137.02513	5.0
137.06067	3.4
138.02214	4.8
138.03226	87.1
138.05692	1.9
138.06847	14.0
139.04024	39.2
139.07678	2.8
139.09509	2.2
140.00963	2.4
149.02431	2.1
150.03304	2.6
150.87166	2.2
151.00412	2.7
151.03998	4.8
151.07640	11.0
152.08414	14.1
153.09221	44.4
159.03056	3.4
161.04575	22.3
163.04021	2.3
166.02753	2.7
181.05074	10.6
193.05096	4.0
205.12337	23.3
223.13414	8.0
228.81218	2.2
245.06671	9.0
251.23900	2.3
271.06067	9.3
283.08289	4.2
301.09329	78.9
343.10400	2.2
362.18866	3.4
367.17776	4.8
385.11456	30.9
385.18811	41.2
469.20810	38.6
520.29803	2.5
813.31848	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	807.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	10.2
61.98836	12.1
67.40252	7.8
78.95924	7.5
91.84029	6.7
119.04987	7.4
152.64005	9.6
152.99585	32.0
209.11852	100.0
227.12852	10.9
242.85950	7.5
257.09549	9.1
271.06131	15.8
307.19153	35.7
325.19955	16.2
356.47073	7.6
543.27960	17.8
543.72766	7.6
611.21283	7.4
671.27692	7.5
771.41968	13.8
807.39996	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	26.8
76.49887	2.2
76.91929	2.2
91.02228	2.1
92.10126	9.5
120.06991	2.8
137.28783	2.1
153.82027	2.2
210.84535	2.5
212.36972	2.2
251.20177	74.5
277.21704	100.0
346.78693	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	808.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98832	100.0
108.43367	0.2
173.50818	0.2
206.71527	0.2
257.38147	0.2
277.21802	0.3
278.22064	0.2
283.52979	0.2
422.03555	0.2
552.47723	0.2
680.34094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
57.29711	0.3
59.01388	2.2
61.98825	0.5
63.02135	0.3
63.02392	3.1
64.07771	0.3
65.00327	6.8
71.01379	0.8
78.75242	0.4
82.05259	0.4
83.01385	7.9
89.02448	0.7
93.03446	6.8
100.99010	0.4
101.02435	1.7
105.26787	0.4
107.01387	14.4
108.99301	0.5
111.03684	0.3
113.02443	0.5
119.05020	39.0
121.02942	0.6
125.02432	2.5
133.06126	0.4
137.02492	0.7
137.98167	0.4
145.02954	1.0
151.00377	51.8
152.00946	0.4
161.06071	0.5
161.37138	0.4
165.01938	1.6
169.01445	2.4
175.00340	1.7
177.01968	5.9
182.84091	0.4
185.06116	0.5
187.04033	1.7
193.01404	0.8
199.07556	0.4
227.07074	1.6
245.06705	0.5
271.06143	100.0
272.06406	2.1
295.06033	1.9
305.25342	0.5
313.07077	0.6
331.14139	0.9
431.53171	0.4
433.11584	0.6
475.12778	1.9
610.08392	0.4
835.08881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.9
62.07133	0.5
74.89600	0.6
123.00888	0.7
137.97806	0.7
163.27751	0.6
265.77472	0.5
421.16415	100.0
422.16953	1.1
789.00281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
61.98853	0.8
63.02406	3.2
65.00319	7.6
71.47270	0.8
76.03323	0.7
76.31358	0.9
83.01387	7.7
92.10153	1.2
93.03451	8.4
101.02340	0.7
107.01394	14.7
112.16735	0.9
119.05024	39.4
125.02455	1.9
137.02441	1.0
145.02977	3.0
150.03239	1.3
150.99153	1.7
151.00386	51.8
165.01965	3.8
169.01414	3.3
175.00349	1.3
177.01949	6.4
183.13914	8.1
185.05981	1.2
187.04045	1.0
195.06703	1.1
227.07109	1.3
229.21364	0.8
264.19797	1.0
271.06149	100.0
272.06494	1.6
301.16586	3.5
340.89835	0.9
343.11642	1.1
391.14047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78083	0.3
59.01398	1.8
62.60489	0.4
63.57704	0.4
63.78770	0.3
66.04209	0.3
72.23361	0.4
87.44205	0.4
89.02440	0.8
96.95996	0.6
114.39382	0.4
119.05022	100.0
120.05323	0.5
126.22147	0.4
133.12796	0.4
161.38667	0.4
163.04018	70.4
164.04358	0.5
187.04095	0.4
213.67642	0.4
241.05057	0.8
252.96416	0.4
256.07303	0.4
263.29016	0.4
271.09634	0.5
306.44186	0.4
325.09314	6.9
510.15112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05228	0.1
57.06489	0.1
59.01384	1.3
63.76142	0.1
71.01379	0.9
85.14555	0.1
89.02436	1.0
92.68631	0.1
93.03467	0.4
101.02444	0.4
112.87492	0.1
113.02487	0.2
119.05032	100.0
120.05367	1.0
163.04019	73.2
164.04330	0.8
179.05682	0.2
194.46703	0.1
213.05643	0.2
215.31703	0.1
241.05045	1.6
255.06660	0.4
256.07376	0.7
270.08643	0.2
271.09778	0.7
325.09332	7.1
481.18671	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	805.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64824	2.0
59.01392	11.7
61.89870	1.9
71.01388	3.0
81.73508	2.1
89.02454	3.4
92.10851	8.0
101.02448	2.9
157.73744	2.3
160.64323	2.1
161.04509	2.4
165.12978	2.1
183.99637	2.1
209.14064	2.2
247.20747	5.3
253.09358	9.0
277.21759	68.0
291.19702	50.8
309.20792	100.0
402.51566	2.5
545.29871	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	805.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	33.7
60.47823	0.8
71.01398	2.2
75.36787	0.9
89.02473	1.1
101.02455	1.5
206.96034	1.0
235.08260	1.6
249.18625	55.5
253.09254	6.2
277.21750	100.0
278.22162	1.0
345.70197	0.9
759.68817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.7
89.02448	2.7
116.04816	1.6
127.72791	1.4
130.27435	1.3
140.78236	1.6
153.45261	1.4
183.13963	6.1
211.13429	100.0
253.09319	6.6
277.18762	2.7
277.21741	58.8
447.22296	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	802.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85950	0.7
59.01383	13.5
61.98832	37.0
66.29836	0.8
71.01388	4.0
85.02934	1.0
87.05700	0.8
89.02459	4.1
92.10157	1.8
93.03497	1.4
101.02470	2.0
116.92914	1.3
117.03455	19.7
127.26352	1.0
143.05042	1.2
145.02982	1.3
147.26459	0.8
149.02443	3.4
159.04523	1.1
161.02460	7.4
171.04521	5.0
173.02473	5.6
185.02437	1.9
187.04018	3.6
189.01938	4.1
191.03467	1.0
203.03560	1.3
215.03502	3.6
217.01540	1.3
235.07773	1.3
247.07565	1.3
262.06213	1.1
263.07147	1.6
268.03769	1.0
269.04514	17.6
277.05063	5.3
278.05771	5.5
279.06653	3.3
281.04575	12.4
282.05051	0.9
290.06076	1.3
291.06677	11.1
293.04520	12.2
295.06006	4.6
305.04651	5.4
306.05270	11.4
307.06146	17.2
308.03192	1.3
309.04071	1.0
309.07568	1.0
311.05566	1.0
321.04196	1.1
321.07700	1.5
323.05667	9.8
325.06937	1.2
335.05643	100.0
336.06058	6.6
337.06595	4.6
338.06937	1.0
347.01328	0.9
347.05579	2.0
349.07224	1.5
351.04819	1.3
353.06635	5.2
365.06665	5.3
377.06815	6.1
395.07874	3.6
413.09088	2.0
445.80338	0.9
515.11877	1.7
575.14148	23.2
578.15179	1.3
654.54535	0.9
739.20990	44.8
741.21838	1.5
742.22400	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	797.506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
69.77407	0.3
71.05020	0.3
89.76350	0.4
97.06599	0.4
108.96943	0.3
113.09724	0.7
125.09689	1.8
129.09251	0.4
130.40425	0.3
139.11264	1.8
140.04912	0.3
153.12781	0.5
163.11264	6.4
165.12808	2.0
167.10722	1.3
167.14342	1.4
168.11481	1.8
181.12328	0.5
182.13039	1.8
211.13521	0.6
249.18658	0.6
249.22231	5.8
275.19943	0.4
284.62704	0.4
291.19672	3.3
292.20105	3.5
293.21255	89.9
294.21539	0.7
309.20703	9.5
310.21072	8.6
311.22311	100.0
312.22696	0.7
397.39590	0.4
440.20767	0.4
749.41693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	22.4
61.98841	2.1
71.01404	11.5
85.02944	3.1
89.02451	2.5
100.42799	1.8
101.02458	5.1
109.76414	2.0
113.02447	4.2
116.92871	2.8
118.19498	2.2
132.04575	8.8
132.54564	2.0
135.04465	2.9
137.02481	4.0
139.36197	2.3
150.03120	2.4
158.02492	3.7
160.04056	11.6
176.03522	2.4
180.04506	2.2
184.07689	4.0
190.05122	19.5
198.04385	23.9
211.05141	5.0
211.08798	3.9
212.07355	2.9
213.06650	5.1
215.11942	2.5
223.08807	3.7
224.09644	4.7
225.03098	2.9
225.06723	14.1
226.07547	5.0
227.08382	22.9
228.08943	2.2
239.04640	18.8
239.08246	10.1
239.11903	13.5
240.10263	10.0
241.09703	14.9
252.05347	4.5
253.06212	34.5
253.09825	9.0
254.03282	4.8
254.07066	10.6
255.07738	22.3
255.11516	5.2
263.08340	2.3
265.06192	3.1
265.10114	6.2
266.07092	5.3
267.07822	27.6
267.10507	2.4
268.08551	11.0
271.07266	5.0
281.09320	26.7
282.10114	9.5
283.10901	100.0
285.08893	7.9
287.10342	21.5
293.05817	2.3
298.05878	3.1
299.10358	14.1
307.07413	3.2
307.10779	2.3
307.55347	2.7
309.08868	47.9
311.06625	2.8
311.10370	2.7
311.35129	2.2
313.12000	2.7
326.09134	4.1
327.09839	32.1
329.07745	5.0
331.09460	4.0
335.05875	2.4
341.11496	25.2
345.10489	3.0
353.07883	3.2
369.11017	3.8
371.08932	23.2
385.10513	3.0
403.11401	13.3
445.12509	12.4
505.14560	9.0
547.15771	9.2
557.76245	3.0
565.16870	25.4
607.18359	3.7
637.20099	48.7
667.19989	18.4
727.21521	15.2
767.20502	2.6
799.25354	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88142	0.1
59.01380	0.2
66.50298	0.1
73.02943	1.1
75.00906	0.1
84.43391	0.1
88.98257	0.1
92.10847	0.4
92.17140	0.1
93.44225	0.1
95.25934	0.1
96.96028	0.2
99.00890	0.2
99.92587	7.7
102.61927	0.1
114.93428	0.6
116.92865	100.0
117.01951	1.6
117.05561	0.3
117.92875	0.9
478.21219	0.1
486.58206	0.1
532.81909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51529	0.2
57.03444	0.3
61.98846	0.2
62.65327	0.2
66.49783	0.2
69.96448	0.2
79.61539	0.3
81.59082	0.2
83.05029	0.4
95.05040	0.4
97.06569	1.8
99.08102	0.3
111.08134	0.4
113.09745	2.1
115.07651	1.7
120.76039	0.2
125.06069	0.6
126.06885	1.2
131.69737	0.2
139.11266	0.6
141.09212	1.4
151.11266	0.4
165.12852	3.1
167.14458	1.4
179.14438	0.3
181.12355	3.6
183.13902	1.5
193.12305	1.8
193.15990	0.4
195.13933	2.4
200.28311	0.3
211.13445	3.4
213.14917	0.3
221.15501	1.9
229.14519	0.6
239.12862	0.3
240.13771	1.9
241.14452	0.3
247.20712	4.4
247.45325	0.3
263.20160	0.5
265.21762	0.4
273.18600	2.7
281.21219	2.3
291.19693	34.8
309.20761	100.0
310.21103	0.6
312.51144	0.3
508.57178	0.3
695.18854	0.3
778.38367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82175	0.4
58.02976	1.4
59.46937	0.5
59.84906	0.5
62.89022	0.5
63.14434	0.5
65.00782	0.5
67.10153	0.5
76.58056	0.5
90.30489	0.6
91.62836	0.6
96.96027	0.9
106.96201	0.5
111.71336	0.5
118.51088	0.5
127.68516	0.5
128.10811	5.8
130.08730	100.0
131.09018	0.5
166.66158	0.6
172.09795	77.5
216.08754	1.2
621.67999	0.7
743.90930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92711	0.4
58.07217	0.4
59.01381	100.0
71.01381	2.2
73.02931	0.4
89.02445	2.3
92.10853	1.5
93.27976	0.4
96.99319	1.6
101.02448	2.1
106.39966	0.4
113.02450	0.6
114.20058	0.4
141.01706	29.8
208.00565	0.4
255.23347	8.6
337.23584	3.3
397.13498	7.2
415.14420	2.1
419.11694	2.1
437.13019	2.9
449.57678	0.5
578.15491	0.4
653.37695	2.5
675.35437	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	793.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.3
62.37815	0.2
69.96095	0.2
73.02963	1.6
73.68195	0.2
74.01188	0.2
92.10770	0.2
99.00894	1.0
99.92590	7.5
114.93411	0.5
116.92865	100.0
116.97240	3.3
117.01952	2.3
117.92879	0.5
129.92419	0.2
133.88828	0.2
153.26923	0.2
247.38222	0.2
352.95578	0.2
404.71155	0.2
709.80206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68113	3.8
59.01396	19.5
60.23859	3.3
61.98841	8.7
63.56898	3.5
66.00481	3.8
71.01389	7.5
89.02402	4.2
160.38545	4.2
171.10269	23.1
174.99905	4.9
185.69814	4.8
199.09784	22.1
199.13411	6.4
201.11362	29.7
207.10277	9.9
225.11369	22.9
253.09315	16.6
271.26642	4.5
277.21722	100.0
339.56274	4.9
654.31946	4.7
757.43695	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	795.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01381	78.0
71.01377	29.5
73.02937	11.9
73.03306	0.9
81.03466	1.0
83.01397	5.4
85.02943	13.4
89.02441	7.1
95.01396	1.7
99.00883	5.9
99.04514	62.9
101.02435	44.0
101.06119	1.1
108.20400	0.8
113.02462	13.7
119.03539	1.4
125.02435	33.2
129.01981	1.2
143.03526	6.9
152.57434	0.8
157.44839	0.9
157.97145	0.9
159.02989	5.0
161.04568	27.2
175.02419	1.1
179.69942	0.9
217.66335	0.9
223.41521	0.9
247.11842	1.8
248.12225	0.8
265.12930	49.2
307.14023	30.7
341.17828	0.9
347.17148	5.9
365.18167	3.2
409.17197	97.4
410.17252	1.1
436.20511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	9.5
67.03266	4.8
78.95885	6.6
152.99532	5.9
209.11873	100.0
215.47328	5.0
227.12854	9.6
264.40912	5.7
300.02124	6.1
309.20694	39.3
321.29099	6.8
527.28241	9.9
737.41180	8.5
755.43121	9.1
791.40381	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	37.2
62.84190	34.2
116.92825	54.0
209.11887	100.0
284.64670	43.0
651.58209	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98838	0.3
73.02947	1.0
92.10795	0.8
97.96630	0.2
99.00825	0.2
99.92576	7.5
100.67683	0.3
102.56294	0.2
113.22545	0.3
114.93418	0.5
116.92854	100.0
116.97248	3.1
117.01957	1.2
117.92834	0.5
134.18582	0.3
171.87550	0.2
182.93050	0.3
207.10182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.1
63.76790	0.1
70.38402	0.1
71.01391	0.1
78.95901	2.9
78.96317	0.2
89.69364	0.1
152.99597	0.8
160.40115	0.1
160.97716	0.1
168.04330	0.5
219.59482	0.1
223.20599	0.2
224.06989	0.4
225.22240	4.7
242.08012	1.3
253.21701	1.7
269.21298	0.6
269.24393	0.1
271.22815	100.0
272.23187	1.2
279.23309	47.9
280.23666	0.7
355.94788	0.1
361.56174	0.1
400.15906	0.1
497.64728	0.1
504.31058	20.0
505.31345	0.5
726.80396	0.1
790.56873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	12.9
59.77803	6.4
61.98838	46.3
89.60831	7.0
122.30674	7.7
209.11880	100.0
223.09689	9.7
227.38669	9.7
240.63829	7.6
273.15387	10.3
291.19678	40.6
309.20856	95.6
317.24353	8.1
346.35144	8.7
370.09784	8.8
607.75836	8.7
739.35712	9.5
791.40015	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22289	8.3
57.85671	9.2
61.98834	27.1
62.84476	8.6
63.05828	8.4
63.80230	9.3
71.18447	9.8
74.42688	11.4
78.95943	11.0
79.87760	10.0
92.51252	9.8
92.65930	10.1
92.75913	9.6
99.99422	11.1
111.62959	10.9
120.40472	11.6
209.11848	100.0
227.12996	21.9
291.19620	12.6
309.20712	63.7
366.18170	11.4
510.69928	13.6
549.98590	12.8
791.40002	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04247	43.0
68.34980	49.4
69.22256	57.4
93.22931	60.7
158.88902	48.9
176.63934	58.5
184.51784	56.2
209.11819	94.6
225.11292	61.5
309.20645	76.5
370.34879	54.3
411.15973	64.4
512.83533	66.9
777.17218	71.3
789.38391	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	789.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41445	0.1
59.01381	0.4
60.93034	0.1
62.43231	0.1
63.02401	5.0
63.72255	0.1
65.00327	8.2
78.07323	0.1
79.79695	0.2
83.01388	7.2
89.02449	0.2
93.03454	10.8
101.02466	0.3
104.25542	0.2
107.01394	18.8
108.99344	0.3
119.05024	49.9
120.05335	0.2
121.02953	0.4
125.02440	0.9
133.03017	0.2
137.02409	0.3
141.09210	0.2
143.05046	0.3
145.02983	1.0
149.02414	0.2
151.00380	57.4
161.06099	0.9
165.01921	2.3
165.12874	0.2
169.00157	0.2
169.01443	3.8
177.01947	8.3
185.06082	1.0
185.16795	0.2
187.03999	1.5
219.17752	0.2
227.07118	1.2
229.05122	0.3
253.05003	0.3
253.09282	0.9
263.16629	1.3
271.06149	100.0
272.06424	1.6
281.17642	4.2
333.01007	0.2
426.82059	0.2
451.23102	0.2
517.26617	2.5
555.51813	0.2
789.29877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.3
61.98843	1.5
63.02416	2.7
65.00339	6.6
71.01383	2.5
71.67236	1.0
83.01409	7.4
92.10709	1.3
93.03448	9.1
101.02473	1.4
107.01400	15.3
112.07903	1.1
117.43601	1.2
119.03703	1.2
119.05026	36.2
120.05378	1.5
125.02447	1.3
151.00378	60.1
152.00677	1.2
152.80894	1.1
164.83192	1.2
165.01897	2.6
169.01418	2.5
171.10281	2.7
175.00368	1.6
177.01974	9.0
192.22830	1.1
206.78159	1.5
271.06149	100.0
272.06503	9.0
327.21884	1.5
373.18668	2.4
789.29248	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	787.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82708	0.3
59.01383	0.9
61.98837	1.7
62.52140	0.3
63.02405	2.0
65.00333	8.0
67.61494	0.4
80.10149	0.4
80.97085	0.4
83.01386	6.3
93.03453	6.1
95.01424	0.4
98.69636	0.4
105.07709	0.4
107.01395	15.0
111.67988	0.4
117.03443	0.4
119.05020	35.5
121.02948	0.6
124.18136	0.5
125.02438	2.1
143.05080	0.7
145.02971	0.8
151.00378	46.7
161.06129	0.9
165.01897	2.7
169.01421	2.8
175.00323	1.7
177.01932	5.0
185.06094	0.7
187.03999	1.7
193.01367	0.7
198.87741	0.4
227.07085	1.6
229.05016	0.6
234.57552	0.5
271.06146	100.0
272.06427	2.0
371.11304	0.4
371.16983	0.9
731.33722	0.5
787.28387	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.4
61.98851	1.5
67.81482	0.7
71.01392	2.5
75.85810	0.6
81.33910	0.6
83.01398	1.5
83.05027	10.4
87.00882	0.8
89.02439	2.7
92.66355	0.6
95.05027	0.7
99.44077	0.7
101.02458	4.5
109.06599	1.0
113.02469	0.7
135.08160	2.9
137.09717	1.3
179.59625	0.7
181.08702	47.4
199.09801	4.3
205.21260	0.7
235.08279	3.9
253.09335	7.7
277.21744	100.0
368.60025	0.8
713.11530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55739	0.3
61.67548	0.2
61.98831	100.0
63.63021	0.3
70.71238	0.3
78.32449	0.3
83.22242	0.3
107.79712	0.3
150.86096	0.3
167.39203	0.3
209.11899	0.6
277.21667	1.5
278.22012	2.1
279.22461	0.3
279.50089	0.4
330.07144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98837	2.5
63.02395	3.8
65.00326	7.5
69.31799	0.4
71.12067	0.5
83.01398	5.0
85.02953	0.5
89.41883	0.4
93.03458	7.1
107.01399	15.1
119.05032	35.4
125.02457	0.6
126.70044	0.5
130.51459	0.5
131.01511	0.5
134.03664	0.5
137.02414	0.9
145.03003	0.9
151.00380	50.3
161.06113	0.8
165.01894	2.6
169.01445	2.5
175.00334	1.0
177.01953	5.4
185.06100	0.8
187.04065	1.1
222.48079	0.6
227.07167	1.2
229.04985	0.6
243.98346	0.5
264.54388	0.5
271.06149	100.0
272.06506	2.2
315.18762	0.6
337.34540	0.6
362.03064	0.5
371.17047	1.0
695.25385	0.6
787.28125	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.7
61.98827	1.0
63.02403	2.7
65.00330	7.0
67.36491	0.4
69.27055	0.5
71.01402	0.7
71.15047	0.4
83.01405	6.8
85.03008	0.5
89.02471	0.6
89.10909	0.4
92.10753	0.7
93.03446	6.8
104.82402	0.4
107.01389	15.8
113.02468	0.4
116.09998	0.4
118.83530	0.4
119.05029	36.8
121.02892	0.4
125.02457	0.7
135.04521	0.5
137.02589	0.5
145.02948	0.7
151.00377	52.2
161.06126	0.8
165.01941	2.7
165.41151	0.5
169.01457	3.9
171.10243	0.5
175.00400	0.5
177.01932	6.9
185.06084	1.0
187.04019	1.0
195.37053	0.5
201.03685	0.5
225.11325	0.6
227.07185	0.8
229.04970	0.9
271.06146	100.0
272.06454	1.9
276.35812	0.4
353.16031	0.9
371.17224	1.7
516.98407	0.5
521.22540	0.6
772.00494	0.5
787.27771	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	785.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84948	0.7
58.93169	0.7
61.98846	1.2
67.58291	0.7
71.81925	0.7
72.47868	0.7
75.15266	0.7
76.38959	0.7
87.30928	0.7
88.01180	0.9
108.90201	3.3
121.02947	100.0
139.05321	0.7
181.06563	2.9
191.03575	1.2
197.34862	0.7
209.04585	35.9
225.05521	3.3
313.07379	3.3
357.06119	1.2
401.08734	7.7
651.94873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
67.19231	0.5
74.08005	0.4
76.42464	0.4
76.57437	0.4
92.10793	0.6
100.67589	0.4
209.11795	3.2
210.12088	1.1
211.12531	0.8
277.21667	0.5
278.22141	0.8
294.30820	0.5
365.04303	0.5
616.63470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1511
Annotation	FAD
Peak:m/z	Relative Intensity
74.54845	0.5
74.91116	0.5
76.99959	0.6
78.95901	100.0
89.02406	0.7
96.96957	70.5
119.05016	5.0
134.04720	9.1
150.98016	1.1
158.92546	12.4
162.98013	3.0
162.99335	0.6
163.04016	3.2
173.50786	0.6
174.97945	0.9
176.93611	1.1
180.99062	8.6
195.00635	3.0
198.06683	2.2
200.71053	0.6
212.08340	2.9
220.71669	0.6
241.07317	4.4
255.08891	5.8
267.45468	0.6
272.95908	1.7
346.05637	20.0
391.73810	0.6
408.01324	1.0
437.02737	1.2
437.08759	25.7
478.50555	0.7
517.05005	0.8
784.15393	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	783.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38171	64.9
69.30272	68.1
70.10635	75.4
90.77205	74.8
130.01102	74.8
131.71605	74.5
177.55667	89.1
527.63104	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	783.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
59.01385	4.5
59.03894	0.4
61.98816	0.4
71.01370	3.1
73.02949	0.4
78.98609	0.4
80.02702	1.7
80.96504	4.7
81.03448	0.7
83.01396	0.5
83.05028	4.2
87.00876	0.6
89.02441	1.8
92.10031	0.8
94.98090	0.5
101.02446	2.6
113.02468	0.8
116.56994	0.4
122.82237	0.4
135.08212	0.5
142.08264	0.4
161.04550	0.5
163.11288	4.3
164.98615	1.0
165.12869	3.3
177.55452	0.4
191.10793	0.9
209.11858	100.0
210.12115	0.8
225.00807	1.7
227.12897	10.9
235.08205	1.6
253.09267	6.3
277.21768	49.7
295.92447	0.4
313.36838	0.4
340.44891	0.4
445.20865	2.2
783.42114	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
57.52945	0.3
59.01381	5.6
69.83163	0.4
70.36590	0.3
71.01382	3.5
73.02948	0.8
75.95168	0.3
80.02698	0.9
80.96514	3.5
81.03456	0.6
83.01389	0.7
83.05016	3.2
85.02964	0.6
87.00869	0.6
89.02432	2.7
89.74680	0.3
94.98084	0.4
95.05042	0.4
97.02972	0.3
97.77708	0.3
101.02453	3.4
101.81298	0.3
113.02466	1.6
116.92886	1.9
118.42635	0.4
143.48048	0.3
149.45770	0.3
161.04549	1.3
163.11302	3.0
164.98627	0.6
165.12927	1.6
191.10844	0.6
209.11858	70.1
225.00725	1.4
227.12906	8.4
235.08224	3.9
235.10219	0.4
249.26289	0.4
253.09312	7.4
275.20291	0.5
277.21753	100.0
278.21945	0.4
308.41266	0.3
361.99738	0.3
395.23837	0.4
445.21173	0.5
714.45074	0.4
745.04730	0.4
783.41791	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	783.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45251	0.4
54.82993	0.5
58.00596	0.6
59.01376	4.7
61.98816	0.4
63.32353	0.4
69.03461	0.9
71.01381	20.0
71.05029	0.4
72.99344	0.6
73.02952	2.4
78.73668	0.5
79.96545	0.5
80.02659	0.4
81.03462	0.5
83.05062	0.7
85.02938	0.7
93.03481	0.5
95.01389	0.6
95.05019	8.2
96.95998	0.5
97.02966	2.7
99.04532	1.0
106.04256	0.8
107.05011	0.6
109.01886	0.4
109.02936	0.5
109.06596	6.9
110.03755	3.7
111.04573	1.9
121.06568	0.5
123.04483	0.4
123.44470	0.5
125.06042	0.5
125.09704	1.1
127.11283	0.8
131.30724	0.5
135.08167	1.9
137.09659	0.5
139.80977	0.5
143.63232	0.5
149.09758	1.0
151.07616	0.6
151.11250	0.8
153.09201	0.7
153.12885	1.0
155.10808	0.5
161.09686	3.0
163.07631	0.6
163.11296	14.8
165.09196	0.6
169.12372	2.7
171.10281	100.0
179.10789	3.0
181.12331	3.5
185.11755	0.5
189.09200	8.1
197.11852	3.0
197.13466	0.5
207.10300	29.8
215.12798	0.6
225.11351	82.8
243.12408	22.0
261.13409	4.7
300.59439	0.5
363.45804	0.5
635.84558	0.5
783.31042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82558	80.0
64.34649	76.1
80.54356	93.9
82.39070	77.9
129.31953	81.9
170.29829	91.4
244.00313	100.0
345.85226	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11547	0.1
60.19039	0.1
61.06404	0.1
64.97713	0.1
73.70081	0.1
77.91252	0.1
78.95903	2.8
79.95728	2.5
89.10847	0.1
92.10712	0.2
96.96005	100.0
96.96886	3.4
119.28508	0.1
139.03944	0.2
160.20146	0.1
231.89323	0.1
242.67242	0.1
354.76685	0.1
542.78418	0.1
624.48279	0.1
626.80707	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
56.74825	0.6
59.01384	12.7
71.01382	4.3
73.02975	1.1
73.30440	0.7
77.96606	0.7
80.96523	4.5
85.02948	1.0
89.02437	1.0
94.98100	1.0
97.02944	4.9
99.00903	6.3
101.02442	1.7
113.02458	1.0
116.92827	1.5
118.48742	0.7
125.09693	1.8
136.05231	1.0
142.02713	1.3
161.04514	0.7
163.11327	5.6
181.12354	11.4
190.97313	0.7
207.10277	35.9
225.00639	0.9
225.11353	47.8
229.08920	0.7
235.08192	0.9
243.12418	6.2
253.09377	4.6
277.21759	100.0
278.22021	1.3
443.19141	4.8
461.20413	6.6
464.11829	0.8
721.41791	25.4
747.67975	0.8
763.38611	1.0
781.40497	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	43.0
84.97816	0.1
89.02437	0.2
96.95970	2.9
96.96959	100.0
100.94276	0.2
164.06735	0.2
341.10739	0.3
406.09586	0.2
439.08603	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	781.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72603	0.1
56.56487	0.1
59.01393	0.3
60.99391	0.2
63.79362	0.2
72.89422	0.2
78.95897	3.2
79.95737	1.9
95.97697	0.2
96.96006	100.0
96.96889	4.2
135.22267	0.2
136.93501	0.1
147.84915	0.2
152.88338	0.2
177.41646	0.2
293.04727	0.3
326.13837	0.2
379.64520	0.2
468.03525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72368	1.0
57.59985	1.0
58.61708	1.0
59.01377	17.3
61.38297	1.2
67.25388	1.1
70.12082	1.0
71.01383	2.2
74.28114	1.0
78.95918	2.2
79.95733	1.6
80.96534	11.3
89.02448	1.6
97.02966	6.9
99.00854	9.0
101.02486	1.5
113.02518	1.8
125.09726	2.5
133.29544	1.2
159.81264	1.3
163.11252	8.7
175.57185	1.4
181.12357	21.3
207.10278	63.4
209.11858	2.0
225.00775	2.3
225.11343	100.0
243.12318	13.9
253.09428	1.9
255.23347	2.0
269.88498	1.3
277.21725	80.8
280.76120	1.4
300.05176	1.4
378.04404	1.3
443.19092	4.6
461.20291	38.1
482.28552	1.4
501.44595	1.3
508.49454	1.3
721.41772	32.4
781.41113	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	779.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
66.29082	0.3
70.55433	0.2
71.01388	1.2
76.04829	0.2
78.95896	2.9
79.95746	2.0
80.00292	0.2
92.10167	0.7
96.96010	100.0
96.96892	4.3
98.02474	0.4
137.72842	0.3
241.79405	0.3
263.33984	0.3
319.98270	0.3
389.18088	1.2
391.19617	0.4
392.15085	0.3
508.96341	0.3
530.89056	0.3
553.16827	0.3
607.31793	0.3
803.86603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01382	35.5
59.01653	1.7
61.98838	1.4
62.48810	0.8
71.01376	1.2
83.01387	1.9
93.03455	1.6
96.96045	1.1
105.03371	1.1
113.02475	1.1
121.02952	13.8
122.03755	5.5
132.02148	1.3
133.03064	1.1
133.09853	1.0
135.04547	1.2
136.01733	1.2
140.64339	1.0
149.02446	94.2
150.03241	39.9
162.63153	1.2
164.04784	22.3
165.05577	48.2
166.06361	67.6
167.07184	12.0
180.04271	4.3
181.08719	55.2
195.06635	16.3
280.07510	1.8
311.13126	1.2
312.10150	6.1
313.10968	12.1
326.22223	1.0
327.12299	10.4
329.51004	1.3
361.17056	2.0
426.40869	1.3
494.19559	12.8
509.21863	100.0
510.22379	1.5
557.24072	49.5
594.98694	1.3
758.60150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18425	0.4
57.53640	0.4
59.01384	0.5
60.99305	20.9
68.80762	0.4
70.36364	0.4
71.01384	0.6
85.02946	0.6
87.00866	1.1
88.00383	0.7
88.98798	100.0
89.02437	3.6
121.02946	0.7
122.03753	0.4
150.03160	0.7
165.05580	1.1
166.06303	0.7
181.85147	0.4
271.28690	0.5
335.55746	0.5
342.60925	0.5
343.13794	0.8
361.16544	3.9
523.21716	0.8
741.12469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
73.95860	0.1
74.07444	0.1
76.25564	0.1
76.29803	0.2
78.95899	3.9
79.95731	2.3
92.10677	0.2
93.57599	0.2
94.98080	0.3
95.49646	0.2
95.97578	0.2
96.96007	100.0
96.96901	6.2
113.42118	0.2
123.77372	0.2
135.70372	0.2
142.95210	0.2
144.77415	0.2
310.86792	0.2
358.87030	0.2
529.80157	0.2
567.48120	0.2
775.47192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19915	0.5
59.83844	0.5
61.98831	100.0
63.35524	0.5
66.57975	0.6
91.13396	0.6
94.36565	0.6
145.65819	0.6
182.57034	0.6
364.66330	0.6
383.21967	0.6
463.41934	0.6
715.54785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.2
70.63065	0.9
71.01385	5.0
73.02980	1.9
89.02447	1.4
92.10779	4.6
101.02448	5.8
105.94330	1.0
116.92838	1.4
141.09254	2.4
165.09192	2.4
165.12830	2.1
167.10835	1.5
176.84747	1.1
200.19182	1.0
219.17520	1.9
235.08247	4.5
245.15414	1.5
253.09418	7.9
263.16592	11.5
277.21747	100.0
281.17624	37.3
287.93121	0.9
499.25235	1.5
517.27020	1.5
777.47443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
60.27098	0.3
66.87890	0.3
69.32408	0.3
71.01378	2.9
71.32714	0.3
72.99315	0.8
73.02950	0.4
85.02962	0.5
88.98819	0.4
89.02484	0.4
101.02423	0.8
117.03449	12.2
125.58499	0.4
131.01387	2.1
135.04494	0.5
149.02443	0.6
159.04523	0.4
161.02440	2.9
163.00455	0.4
163.04021	2.3
173.02411	5.9
175.00374	12.4
237.05621	0.5
249.05579	0.5
265.05002	0.6
268.03802	0.5
269.04645	4.1
281.04556	3.7
282.05338	2.4
283.06155	16.4
293.04602	100.0
294.05011	1.3
295.06140	1.4
311.05667	30.3
314.04373	3.4
323.05692	6.6
335.05682	0.7
341.06628	3.8
351.69254	0.4
389.18298	1.7
398.15515	0.4
404.81454	0.4
408.26608	0.3
455.51837	0.4
457.11520	2.9
575.14172	6.3
739.21069	30.6
740.21698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82980	1.1
55.01899	1.4
58.00603	1.3
59.01385	76.2
70.37147	1.1
71.01382	35.0
72.99314	2.2
85.02974	8.2
85.31269	1.1
85.92347	1.2
89.02439	40.9
92.05078	1.2
95.01369	2.2
97.29266	1.3
97.98630	1.2
101.02438	20.9
113.02460	13.7
119.03501	17.5
143.97881	1.2
179.05597	8.4
192.74323	1.4
225.22270	20.7
246.16820	1.4
253.21733	6.2
271.22775	5.4
278.24869	5.8
290.11346	1.4
296.25797	5.7
532.47406	25.7
550.48761	11.5
712.53741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38321	0.3
59.01386	1.9
62.70739	0.3
67.56081	0.3
69.03441	0.3
71.01394	1.6
74.47594	0.3
75.65482	0.3
84.02158	0.7
85.02924	0.4
89.02441	0.4
92.52990	0.4
97.06590	9.7
100.35882	0.4
101.02454	1.4
121.02934	6.7
135.04514	1.8
137.02417	0.7
146.03748	5.1
147.04524	21.9
159.04527	2.7
161.02489	0.8
161.06075	14.6
162.06836	0.6
163.03957	0.5
163.07713	0.7
167.03497	0.3
171.04527	0.6
172.05283	3.6
173.06062	2.0
175.03998	13.9
175.07645	0.9
176.04762	0.6
177.05565	0.5
187.03915	0.5
188.04803	2.9
189.05565	6.9
190.06371	18.5
191.07083	0.5
191.10800	0.6
201.05647	3.3
201.09212	0.5
203.07158	0.4
204.07904	0.8
205.05051	1.6
219.10274	7.4
220.07422	68.5
221.07758	1.3
225.38939	0.4
249.11330	100.0
250.11736	1.8
281.08316	0.4
299.09082	0.5
329.13986	0.8
375.87149	0.4
491.19318	9.4
503.19382	5.0
521.20361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
73.02953	1.1
92.10857	0.6
99.00853	0.5
99.92580	6.8
106.11303	0.2
114.93420	0.3
116.92860	100.0
116.97242	4.4
117.01923	1.2
117.92878	1.0
136.04324	0.2
148.36952	0.2
151.02263	0.2
199.09802	0.2
249.18611	0.3
255.23267	0.2
277.21683	0.2
313.19016	0.2
439.13754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34663	0.1
59.01392	0.2
60.70592	0.2
61.98833	0.2
63.02399	3.1
64.99971	0.2
65.00320	7.3
70.06389	0.1
71.01398	0.3
83.01386	6.3
85.02974	0.2
91.64078	0.2
93.03454	7.1
95.84494	0.2
96.96007	0.2
101.02452	0.3
107.01392	15.0
108.02209	0.4
108.99339	0.2
109.02977	0.2
117.03504	0.8
119.05018	36.3
121.02953	0.2
123.04528	0.3
124.01770	0.2
125.02451	1.4
131.55151	0.2
132.02205	0.7
134.03738	3.7
135.04535	0.2
136.01680	0.4
137.02431	0.7
143.05013	0.9
145.02960	1.9
149.06088	0.9
151.00374	50.7
160.01648	2.7
161.02419	0.2
161.06062	1.1
164.01149	0.3
165.01939	2.7
169.01427	2.2
175.00348	0.3
175.04001	3.4
177.01920	7.0
178.02698	0.3
179.03406	0.2
180.04301	0.4
185.06085	1.3
187.04031	1.6
193.05075	2.0
195.06639	0.4
203.07271	0.2
227.07211	1.5
229.05125	0.7
254.72569	0.2
269.04401	0.2
271.06143	100.0
272.06500	1.4
285.07672	1.2
295.04523	0.3
311.36407	0.2
313.07224	0.4
337.09341	2.3
362.18970	0.3
411.20514	0.2
433.11581	0.7
514.23865	0.2
553.05237	0.2
609.16284	19.1
610.16541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.7
62.35844	0.4
63.02404	3.5
65.00337	10.6
70.29185	0.4
71.01399	0.6
73.67898	0.4
74.10224	0.3
83.01391	7.9
83.01819	0.5
93.03448	8.3
96.96024	0.8
99.14610	0.4
107.01392	19.1
117.03502	0.7
119.05022	45.7
121.02968	0.9
125.02434	3.2
131.01366	0.7
132.02238	0.6
134.03662	1.1
135.04619	0.5
136.01701	0.5
137.02440	0.7
145.02943	3.7
151.00378	62.8
160.01680	3.7
161.02452	1.9
161.06099	1.7
165.01913	3.2
169.01424	3.5
175.00333	4.3
175.04022	4.3
177.01941	5.2
185.05995	1.8
187.04015	2.5
193.01416	2.1
193.05055	2.2
227.07149	3.0
229.05038	0.6
235.06073	0.6
249.11360	1.0
270.05746	0.5
271.06137	100.0
272.06561	0.8
285.07913	0.4
295.06058	2.5
313.07236	1.7
337.09360	8.9
433.11539	1.9
609.16248	17.5
609.26172	0.6
610.65594	0.6
804.66058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82553	1.0
57.45484	0.7
59.01381	1.0
61.98831	100.0
65.70183	0.7
71.01385	1.1
89.02409	1.2
119.04940	1.0
158.78256	0.9
165.87119	1.1
190.90686	0.9
231.00317	0.9
235.05862	0.9
240.49118	0.9
291.19714	1.9
293.20459	1.4
568.54620	0.9
585.54028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
61.98840	100.0
64.19742	0.5
64.89918	0.5
68.86124	0.5
71.01385	0.6
74.67249	0.5
83.54086	0.5
104.82720	0.5
119.05020	0.9
150.42130	0.6
151.00401	0.9
234.28908	0.6
309.20761	1.1
310.21121	0.8
311.21848	0.8
789.79077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	5.9
59.01387	32.4
62.43519	3.2
69.03468	7.7
71.01390	29.4
72.99329	4.8
73.02971	18.9
73.99294	2.9
81.03495	5.8
83.01352	5.1
85.02959	84.1
87.00880	100.0
91.92304	3.7
94.90094	3.1
95.01382	14.2
95.41667	3.3
97.02935	45.6
98.21233	3.4
103.04017	8.6
109.02914	4.4
111.00867	4.0
113.02454	33.5
115.00371	8.5
119.04981	6.8
127.04036	14.9
129.15208	3.4
139.00299	5.8
142.12923	3.0
155.03558	4.7
157.01414	12.4
163.04054	3.4
175.02455	29.8
199.02489	16.5
217.03560	18.7
224.94446	3.9
236.00163	3.3
246.34160	3.8
258.54291	3.5
303.07275	8.1
511.32462	3.9
667.17151	5.6
709.18250	48.9
769.20410	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	769.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26694	4.2
57.03463	44.7
59.01386	74.0
66.77731	5.5
71.01386	37.3
73.02952	8.1
79.36788	5.7
83.01408	9.2
85.02952	85.8
87.00871	10.0
87.04523	31.4
89.02448	9.9
95.01406	6.3
96.96014	29.9
99.04511	24.2
101.02442	10.7
106.88294	5.3
108.04588	38.5
110.06134	81.2
113.02448	11.2
116.92861	45.3
122.06108	8.5
125.02414	11.9
136.07625	13.7
148.04066	33.3
149.04854	5.9
150.05617	43.7
151.05124	44.3
153.06665	32.4
161.04764	22.0
162.05611	27.9
164.07207	6.8
168.10292	7.0
171.08043	7.9
173.03575	23.2
173.06012	7.8
174.04321	33.4
174.05652	11.1
175.05141	11.7
179.08275	13.1
189.06702	13.2
193.09779	7.6
196.09790	33.6
198.06958	13.5
199.07683	22.5
200.07227	7.8
209.09322	12.3
212.07138	11.2
214.08582	11.6
215.08159	13.2
216.09055	23.8
217.09843	27.6
221.09273	13.5
227.05957	6.9
239.10306	52.7
241.07423	10.8
242.08249	34.3
254.08429	7.9
257.09406	10.3
258.10129	11.1
259.10925	13.4
280.03726	22.0
298.04880	28.4
303.13531	12.4
306.99283	7.2
308.03256	72.4
309.04047	7.3
323.05630	71.9
328.13089	35.7
329.13730	23.1
341.06790	41.2
370.17688	12.7
395.16220	48.4
397.17691	8.8
412.18842	50.5
438.16681	27.6
487.12103	6.6
503.35809	6.2
547.23926	34.7
605.15100	27.9
635.27405	30.8
656.96021	7.4
725.30939	100.0
769.30780	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88165	1.0
54.51816	1.0
59.01379	17.2
61.19553	0.9
63.77871	1.2
71.01405	1.4
76.71720	1.4
78.95880	1.2
81.00281	1.1
89.02460	1.2
101.02419	2.0
143.59196	1.2
183.13902	8.8
211.13417	100.0
229.90518	1.3
253.09184	4.4
277.18848	1.9
277.21774	46.4
447.22430	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	767.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82932	0.3
59.01381	0.8
59.19619	0.3
60.99309	19.6
78.01119	0.3
85.02935	2.4
87.00872	1.7
87.04515	1.3
87.15235	0.3
88.00383	2.9
88.98801	100.0
89.02431	5.4
108.04539	2.1
110.06115	0.5
114.06866	0.4
117.68825	0.3
136.07643	0.6
170.98741	0.3
196.09761	1.3
199.08765	0.5
213.13971	1.5
239.11942	6.9
308.17590	1.3
333.14893	0.7
336.13721	0.3
362.18787	8.7
363.19019	0.4
378.18860	0.3
380.19754	1.8
406.17868	1.3
436.18887	0.8
645.50903	0.4
677.49866	1.7
737.30139	2.0
767.31482	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	767.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03454	1.2
58.00611	0.9
59.01387	38.9
61.98835	18.1
69.03463	1.8
71.01390	21.3
72.99320	1.3
73.02969	4.3
83.01389	3.5
85.02972	4.7
87.00903	4.9
89.02445	23.0
89.02943	1.4
92.17625	0.9
94.17760	0.9
95.05019	1.0
96.49706	0.9
97.02950	10.7
99.00835	1.1
101.02441	18.4
103.09043	0.9
111.08154	4.3
113.02444	10.7
119.03472	6.2
119.05006	0.9
121.17162	0.8
123.08166	1.2
125.02480	6.3
125.03372	0.9
125.09718	0.8
137.02409	1.0
137.09669	0.9
143.03520	0.9
151.11359	1.5
161.04579	4.6
163.11287	4.8
165.12878	6.4
169.12318	1.9
169.16634	0.9
171.10289	5.6
179.05655	1.7
181.12289	1.9
181.66356	0.9
193.16035	1.2
197.11838	23.8
197.77431	1.0
203.64630	0.8
209.11838	9.0
210.12169	2.1
211.13441	6.2
221.06732	1.3
227.12941	4.5
230.39293	1.0
235.08237	4.2
243.13872	1.0
247.20656	7.7
253.09331	1.5
263.20102	1.8
273.18707	1.5
291.19672	53.8
305.08533	0.9
309.20737	100.0
310.21048	1.2
397.13464	36.3
415.14606	37.2
707.34601	6.9
718.98181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71672	0.4
57.03465	0.4
58.00607	1.2
59.01386	0.8
63.63543	0.3
71.01408	1.6
77.42455	0.4
78.65499	0.4
80.02688	0.6
81.03484	1.3
83.05019	4.5
84.02198	1.4
95.05042	0.6
97.06577	0.5
100.83355	0.4
114.29886	0.3
123.08130	0.4
125.09711	4.5
127.11278	5.8
128.63063	0.3
136.01561	0.4
137.09723	0.8
139.11252	0.7
155.10817	3.4
163.11278	3.6
165.09239	2.7
165.12852	3.0
171.10292	5.5
172.10669	0.5
181.12238	0.5
183.10239	0.7
191.10811	0.4
199.09741	2.7
201.11353	100.0
202.11736	0.6
209.11859	78.4
217.30765	0.4
225.11365	1.8
226.11630	0.5
227.09593	0.4
227.12921	23.3
245.13966	28.4
379.12668	0.3
400.60773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	3.4
59.01373	11.9
61.98838	1.4
62.64780	1.3
71.01382	10.2
71.32531	1.2
75.71875	1.3
83.01392	2.3
85.02948	35.8
87.04499	14.1
89.02463	1.8
92.61735	1.5
93.03456	1.6
96.04549	1.4
96.05635	1.3
96.96010	1.7
97.06046	1.3
99.04527	6.6
101.02423	2.1
108.04540	21.0
110.06103	10.3
114.98556	1.4
115.03960	1.4
122.03758	1.7
124.04078	1.7
134.02534	1.9
136.07693	9.5
146.03748	3.1
147.83098	1.5
150.03201	8.4
165.05531	7.0
166.08736	2.2
172.08014	1.4
173.10840	2.5
179.07204	2.0
195.06633	3.3
196.09871	13.0
197.10886	10.0
199.08821	11.0
213.13977	15.0
237.10352	1.5
238.11049	1.8
239.11909	100.0
276.72284	1.5
303.10559	1.4
308.17673	18.0
318.12479	6.9
319.17923	3.0
320.17789	2.4
333.14859	9.3
336.20850	7.9
343.11948	1.8
347.16449	1.5
350.74060	1.6
360.17224	8.4
362.14276	2.9
362.18811	90.8
363.16696	2.0
374.43765	1.4
378.18246	3.0
380.19806	25.2
406.17847	26.4
424.18765	2.9
436.18585	11.3
454.19592	1.6
647.27393	5.9
677.27747	6.6
737.30792	41.1
767.31360	45.6
768.30627	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	766.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
61.98830	16.6
65.00331	4.1
81.60226	0.9
83.01394	4.2
91.01929	1.0
93.03454	4.9
95.01321	0.9
107.01386	5.1
116.47238	1.0
119.05014	36.4
119.60201	0.9
123.00886	1.3
125.02417	1.8
136.98834	2.2
139.00351	2.5
143.05020	1.5
145.02927	6.3
149.99541	1.0
151.00377	18.2
157.06657	1.2
159.04581	1.4
164.01158	2.5
164.98325	1.4
165.02032	1.1
165.99063	1.3
166.99860	4.3
169.06535	2.0
171.04565	2.2
173.06058	1.2
177.01910	2.0
181.06526	1.5
185.06047	1.3
196.00157	1.7
197.06073	2.0
199.03970	1.5
201.05557	7.3
203.40915	1.2
209.11786	3.7
211.07587	2.1
225.05479	1.4
227.07172	2.0
241.05069	12.6
243.06615	6.0
255.06621	1.1
267.06662	1.1
269.04553	31.2
270.05371	13.1
271.06064	4.5
283.06140	4.6
295.06125	2.2
309.07880	1.5
325.07278	1.1
349.07108	2.2
351.08704	1.3
353.07101	1.3
377.06696	1.3
389.10245	19.1
395.07745	13.3
412.49811	1.1
421.05740	5.2
457.09311	1.3
497.12427	9.7
506.46710	1.1
541.11475	100.0
703.17120	17.8
771.53534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	4.6
59.01396	10.0
59.15183	0.8
71.01395	5.1
72.57520	1.0
83.01382	1.4
85.02954	39.6
85.59653	0.9
87.04528	18.9
89.02462	1.0
96.96006	1.9
99.04516	8.6
101.02454	0.9
108.04566	21.0
110.06118	12.5
115.04047	1.1
121.05258	1.2
124.07689	1.7
134.02499	2.2
135.04428	1.2
136.04027	1.1
136.07698	14.2
150.03233	2.3
152.03540	1.3
165.05583	1.6
166.08734	2.3
168.10281	1.8
173.10823	4.9
178.08742	1.7
185.10840	5.6
196.09782	11.5
197.10846	9.7
199.08803	12.5
208.09714	1.3
213.13988	17.6
225.10286	1.2
228.31851	1.0
235.34601	1.1
237.10335	2.3
237.14041	1.0
238.11108	2.1
239.11922	100.0
252.11346	1.5
291.14005	1.1
293.20035	1.3
308.17749	21.3
318.12524	6.0
319.18060	4.9
320.17590	4.7
332.13837	1.4
333.14825	8.9
336.20892	5.8
346.15424	1.2
347.16672	1.9
360.17203	7.4
362.18814	99.4
378.18109	4.8
380.19818	26.8
392.19882	1.4
406.17746	26.5
424.18848	2.1
436.18890	9.5
603.28003	1.1
647.26910	4.7
677.28644	2.4
693.31488	2.1
737.30444	39.4
767.31598	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	22.6
61.75371	0.9
88.00426	1.4
88.98803	100.0
89.02448	5.6
157.32108	1.1
160.76099	0.9
178.84456	1.0
253.11812	0.9
276.30548	0.9
291.19635	4.4
311.85260	0.9
345.64886	1.1
372.65833	1.0
502.41797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71222	0.8
59.01649	0.9
60.99312	17.8
64.00914	0.9
73.90613	1.0
78.38763	1.0
83.58327	1.0
87.00890	2.0
88.00426	2.1
88.98803	100.0
89.02434	11.7
299.49274	1.1
319.93213	1.3
644.22046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.9
57.03453	3.8
59.01382	80.9
71.01378	43.9
73.02946	5.7
75.00937	3.1
78.49459	3.6
83.01398	13.1
83.05032	4.1
85.02974	13.6
87.00883	7.5
89.02443	43.8
93.03473	4.2
97.02971	6.3
101.02441	29.8
109.85777	3.8
113.02461	15.0
119.03472	13.8
123.04521	5.8
125.02470	14.8
125.09720	16.7
137.09703	4.6
161.04562	3.6
163.11243	16.7
165.12791	4.8
179.05646	4.1
181.12411	4.8
185.11830	8.0
191.14439	16.1
207.10350	4.3
209.11855	34.3
211.13329	3.6
225.11317	3.9
227.12959	6.1
235.08315	6.4
245.19177	33.7
263.20212	6.0
271.17438	4.6
288.51694	3.6
289.18164	95.8
307.15973	6.5
307.19220	100.0
397.13599	54.4
415.14536	45.8
418.31686	4.6
607.26294	7.5
705.34070	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	759.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08517	4.4
78.95928	7.4
95.62364	4.8
98.61223	5.0
152.99641	5.9
209.11874	64.2
227.12888	10.7
257.38129	6.2
277.21729	100.0
279.07687	6.4
315.09045	6.9
328.00992	6.1
396.62866	5.2
445.83060	5.1
510.24811	5.5
527.35712	6.6
759.40948	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	759.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	61.0
64.34116	5.9
70.23569	6.4
72.88293	6.5
75.77242	5.8
78.95937	8.5
80.55266	5.8
92.38614	6.1
95.92726	6.9
152.99542	6.6
159.95560	6.7
171.10234	7.9
194.86382	6.1
209.11862	100.0
277.21878	61.3
304.61230	7.6
501.58536	7.7
759.41864	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	759.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98848	5.1
71.01400	5.4
80.89021	1.2
83.01385	2.3
85.02974	1.3
101.02429	1.7
111.84541	1.1
112.12780	1.3
119.05048	2.2
121.02988	2.2
135.04517	5.1
146.93480	1.2
156.31998	1.3
180.07924	22.5
181.88885	1.2
185.06740	1.3
195.10254	5.0
201.69371	1.2
208.07411	9.6
223.09775	32.2
237.05496	2.1
243.31316	1.5
253.04970	2.0
265.05176	2.0
271.06149	2.3
281.08624	1.3
447.14731	1.9
458.17416	1.6
459.14270	13.0
462.16946	8.1
471.14908	8.5
474.16898	21.4
477.19385	19.4
486.16718	2.4
489.19345	28.0
501.19476	6.2
507.20316	35.6
519.20294	88.7
726.59308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38760	1.0
56.06904	1.0
59.01385	3.9
70.54988	0.9
71.01385	1.0
79.24075	1.0
81.45539	0.9
86.02456	1.0
93.03465	9.5
101.02435	1.1
109.02959	14.6
114.39208	0.9
119.05027	9.1
121.03053	1.2
136.01674	11.3
137.02441	17.1
146.03763	4.8
147.04532	6.2
149.02464	1.0
151.04013	10.5
160.05231	1.2
161.06012	1.9
163.04039	1.4
165.05431	1.4
172.05226	2.4
175.03958	6.3
175.81300	0.9
176.04842	8.2
179.03508	20.8
189.05582	5.7
190.06393	6.0
191.07207	10.3
197.08151	1.4
214.02379	1.1
232.29559	0.9
239.05573	3.9
242.20674	1.0
251.07237	2.0
267.06775	10.7
275.14114	0.9
279.06644	13.6
281.08154	1.6
282.09018	8.3
285.95886	1.0
294.08902	7.0
297.07715	5.2
297.11349	19.6
309.11316	1.7
312.10132	18.5
327.12424	100.0
345.13495	4.8
357.13528	12.8
375.14557	33.7
431.11929	4.8
473.13055	5.7
537.19867	30.4
539.48108	1.1
741.21918	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	759.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45784	0.7
59.01396	4.9
59.77403	0.7
71.01384	1.2
71.73896	0.7
85.02953	0.9
92.10796	1.8
93.03487	3.8
109.02963	12.9
113.02489	1.0
119.05032	8.0
136.01663	10.2
137.02443	10.6
145.02922	1.3
146.03755	5.2
147.04507	1.7
151.04025	10.1
158.03769	1.1
159.04485	1.3
160.05338	1.0
161.06113	1.2
163.04044	3.6
171.04541	0.9
172.05330	2.0
174.03177	1.0
175.03981	7.3
176.04822	8.6
179.03494	8.7
189.05592	5.7
190.06409	8.6
191.07156	9.9
206.13846	1.0
251.07164	4.2
261.05484	1.1
267.06689	11.2
279.06659	16.7
281.08231	1.5
282.08929	7.5
293.08371	1.4
294.09036	9.7
296.10532	1.0
297.07828	5.0
297.11368	19.7
309.11389	2.0
312.10092	20.4
315.12482	1.5
327.12430	100.0
328.12723	1.2
330.36447	1.1
345.13342	3.7
357.13547	15.0
375.09946	1.7
375.14514	33.0
431.12119	1.4
473.13269	1.8
537.19916	32.2
741.22156	1.9
765.09515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
61.98832	100.0
71.01377	1.8
82.61861	0.5
92.10192	0.6
114.97064	0.5
133.15955	0.6
171.10342	0.7
181.08699	0.8
202.06296	0.6
214.86879	0.5
277.21783	2.6
278.22122	2.9
303.20111	0.5
326.64264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61032	0.4
54.54450	0.5
59.01380	0.8
61.98839	1.0
71.01377	2.0
73.02943	2.8
78.95902	2.8
83.49809	0.4
92.65510	0.5
99.00883	0.7
99.92577	9.7
114.93401	0.8
115.00390	0.7
116.92857	100.0
117.01904	1.7
117.92876	0.7
121.77570	0.5
148.32126	0.5
152.99603	2.3
160.60585	0.5
186.91328	0.5
234.84047	0.5
262.10818	0.5
277.21848	0.8
278.21960	0.8
293.21201	0.8
311.22034	0.6
447.21490	0.7
516.68665	0.7
677.20282	3.3
759.44281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24599	0.7
58.04769	0.8
59.01395	0.9
62.36232	0.7
64.49943	0.9
76.57982	1.0
96.73621	0.9
108.02164	0.9
109.02937	11.9
116.64415	0.9
127.93186	0.8
133.55180	1.1
136.01610	8.3
136.43477	0.9
146.03786	1.4
148.29768	0.8
151.03979	10.6
161.06046	1.2
172.05368	1.2
175.04008	5.1
176.04848	3.6
177.05705	1.1
182.11977	1.1
189.05670	1.9
190.06439	4.1
191.07156	5.3
201.89288	1.1
212.51636	0.9
223.37599	0.9
251.07133	1.3
261.05634	1.2
267.06662	40.1
267.09442	1.9
279.06580	7.1
282.09009	43.5
294.09039	6.3
297.08099	4.2
297.11340	100.0
312.10172	10.9
327.12424	52.7
345.13440	11.0
357.13464	1.4
375.14557	50.6
439.31686	1.1
519.61609	1.0
537.19916	32.6
701.79114	1.1
771.00574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
69.05784	0.2
71.01360	0.2
93.03452	0.2
101.72356	0.2
108.42745	0.2
119.05027	100.0
120.05377	0.3
130.08749	0.3
163.04019	72.3
164.04350	0.2
174.23642	0.2
325.09314	8.8
363.36868	0.2
554.09570	0.2
695.97113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72322	14.9
64.62100	20.4
71.29060	16.9
78.95933	39.9
219.38412	20.3
235.69647	19.5
272.17969	19.0
277.21698	100.0
279.23135	29.9
709.56787	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	757.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18372	35.8
59.97745	37.1
67.35458	39.0
67.58112	37.7
74.19608	42.5
78.95897	100.0
81.68410	40.2
99.17458	41.8
101.22090	46.3
129.55130	47.6
152.99599	59.0
229.96925	48.3
235.08339	48.0
277.21716	76.9
279.23358	60.7
301.03415	45.4
302.72952	48.1
452.68958	49.7
693.14117	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.6
63.94469	2.3
78.95909	4.5
82.49915	1.8
83.05045	8.7
87.46521	1.8
89.02387	2.2
101.02486	3.4
119.75755	2.2
138.17897	2.2
152.99591	2.4
169.12367	20.3
174.97827	2.8
181.08688	28.7
253.09204	4.8
277.21741	100.0
325.98138	2.2
434.68246	3.0
475.92682	2.6
727.43060	3.6
755.41217	2.8
789.78015	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	755.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
59.01382	13.2
69.03501	0.3
71.01381	4.0
71.71130	0.4
73.02936	0.6
75.60059	0.3
78.24952	0.3
78.95900	1.5
80.02673	0.5
81.03468	0.9
83.01385	2.8
83.05035	11.1
85.02934	0.9
87.00905	0.4
89.02427	2.7
95.05043	0.4
97.06605	0.7
101.02446	4.3
109.06602	2.5
113.02471	1.7
116.92899	0.9
128.27145	0.4
132.68484	0.4
135.08182	5.4
137.09735	2.2
152.99562	1.6
161.04561	0.7
163.07649	1.5
181.08717	49.3
199.09779	3.6
209.11699	0.6
235.08243	3.1
253.09317	7.2
269.77115	0.4
277.21753	100.0
278.22086	0.9
347.87454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05238	16.7
54.82420	16.7
59.01378	45.6
61.98843	19.2
71.01390	44.1
83.01379	25.1
85.02947	34.3
92.10808	41.0
101.02451	26.9
146.03734	21.7
150.03220	31.7
155.10806	30.4
164.04759	25.6
165.05511	33.6
166.06302	27.3
167.06801	19.1
181.08704	24.0
195.13693	19.6
198.24281	19.1
235.39717	21.6
271.05975	24.0
321.07172	22.4
371.17142	100.0
399.62000	19.8
403.00626	22.2
421.64432	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	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52076	0.7
54.86210	0.7
55.63908	0.7
59.01391	5.4
59.71546	0.8
61.98813	1.4
71.01363	2.5
75.40089	0.8
78.95881	2.8
83.05035	4.7
89.02425	1.1
101.02428	1.3
104.52844	0.8
121.23592	0.9
163.11284	4.5
165.12875	1.2
193.90509	0.9
209.11848	100.0
227.12907	7.5
249.18620	45.3
253.09232	5.0
365.70786	1.1
412.18195	1.2
439.39450	1.2
555.01855	1.0
610.20428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	1.0
59.01392	15.2
71.01390	6.4
72.40800	0.8
73.02947	0.9
79.75759	1.0
85.02991	1.3
89.02460	2.3
92.10686	1.2
93.03459	2.4
94.56702	0.9
96.96009	1.2
101.02457	2.1
102.79911	1.0
117.03480	10.8
119.03498	1.1
119.04956	0.9
128.04630	1.1
131.05034	1.3
135.04517	1.1
147.04617	1.0
149.02480	1.7
161.02420	5.7
163.04044	1.3
164.07190	4.2
175.04007	5.6
177.01952	2.1
188.01056	1.3
189.01913	1.6
189.05582	1.5
191.03590	1.3
203.03485	4.7
206.08234	2.0
215.03499	1.7
216.17725	1.0
225.05577	1.0
233.04378	1.2
245.04420	1.7
251.07112	1.2
265.05099	1.5
267.06699	1.7
281.04572	1.9
283.06161	7.7
293.04544	6.6
293.07837	1.3
294.05179	1.5
295.06213	13.3
296.06940	1.2
297.07611	2.3
305.04474	1.3
307.06149	5.1
309.07675	7.6
311.05731	9.2
319.06650	1.1
321.04001	8.5
321.07639	5.4
322.04752	1.8
323.05728	13.3
328.05878	1.7
335.05688	6.5
337.07181	9.8
349.07294	2.2
351.04944	7.9
351.08713	1.4
353.06714	5.0
365.06708	42.3
367.08298	4.8
377.06897	1.9
381.06015	1.5
383.07864	1.6
395.07483	9.6
419.07489	1.5
425.08530	1.3
455.09262	1.5
471.09280	1.4
485.11130	8.6
545.13055	1.9
569.81818	1.1
635.17200	2.5
665.17798	3.5
755.20490	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	755.2049
Annotation	Kaempferol 3-glucosyl-(1->2)-rhamnoside-7-glucoside
Peak:m/z	Relative Intensity
59.01377	1.0
62.03640	0.7
62.70807	0.7
85.54622	0.6
92.10117	0.9
93.03455	1.2
96.96001	0.8
104.48573	0.7
107.01421	0.6
107.97270	0.7
107.98692	0.7
109.02982	1.5
117.03479	4.7
119.05015	1.1
121.02967	3.9
125.02431	1.4
131.01460	0.7
133.02948	21.8
133.93405	0.8
135.04532	1.4
145.02977	1.1
147.04558	1.2
149.02481	1.4
156.65889	0.8
160.05334	1.1
161.02420	3.2
163.00385	3.6
163.04041	5.3
165.01915	2.8
173.02480	0.9
175.00360	4.6
175.04004	4.6
175.07625	1.2
177.01964	1.4
191.03503	3.6
193.01442	2.9
199.03952	0.9
201.01949	3.4
203.03455	0.8
209.06281	0.9
213.05701	1.4
225.05676	1.2
227.07249	1.0
229.04921	0.6
241.05168	1.3
246.14949	0.9
253.05103	2.7
255.03067	1.2
265.05115	1.7
267.03159	1.0
269.04575	1.4
271.47427	0.7
281.04501	1.7
283.06122	12.3
284.03290	11.7
285.04065	10.5
287.98697	0.7
293.04337	0.7
297.04083	23.6
297.07486	1.4
298.04865	19.5
299.05609	21.9
309.04099	39.7
311.05685	17.4
327.05142	100.0
328.05414	1.3
329.00098	0.7
329.14078	1.5
339.05151	5.8
339.08798	0.9
341.06781	2.8
353.06604	1.7
357.06238	38.1
369.06165	4.2
383.07645	1.2
383.89969	1.0
393.06308	1.1
473.10999	15.1
591.13751	4.5
684.36810	0.8
755.20447	32.8
756.21338	1.3
772.28754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
60.69719	1.1
71.01384	1.4
72.96507	0.9
84.26435	0.9
86.49210	1.0
91.05523	1.7
93.03481	4.1
94.17818	1.0
117.03478	12.1
119.05001	4.8
124.43902	1.2
130.08723	11.1
131.09029	1.1
133.02939	1.3
135.04510	6.1
145.03015	1.6
147.04611	3.6
149.02475	2.2
149.06076	1.4
155.37384	1.1
159.04529	1.6
159.79208	1.3
161.02429	5.5
163.03967	4.7
163.52708	1.0
172.09781	8.2
175.03947	6.9
177.01927	4.7
177.05530	4.9
182.03766	1.1
187.04053	1.2
189.01965	1.4
189.05527	2.1
191.03506	2.2
203.03506	5.2
205.01456	1.2
205.05035	1.4
233.04526	1.7
238.06606	1.4
251.07108	1.4
267.06577	1.6
268.07248	1.4
281.04587	2.4
282.05347	7.1
283.06055	9.3
293.07819	1.1
295.06171	14.7
296.06824	7.9
297.04337	2.3
297.07693	52.7
307.06036	6.4
309.07715	9.5
311.05756	7.4
314.04803	1.2
323.05643	10.2
325.07239	22.6
328.05875	8.8
335.05511	4.4
337.07263	9.6
353.06711	100.0
354.06973	1.5
355.08148	4.1
356.05081	2.2
365.06573	9.2
378.07361	1.1
383.07782	56.8
386.06519	1.2
395.07654	8.0
413.08902	6.7
414.71658	1.1
425.09225	1.8
455.09982	1.5
473.10944	16.7
593.56073	1.3
635.16205	2.4
755.20459	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92356	0.7
57.65770	0.9
59.01377	1.7
60.45109	0.7
62.99472	0.7
71.01379	1.6
85.02969	1.3
86.41112	0.8
87.04613	0.8
93.03448	1.9
110.38295	1.0
117.03487	5.7
119.05023	17.3
135.04535	1.7
149.02437	1.1
161.02432	1.4
163.04048	12.5
163.05270	1.5
164.01186	1.0
167.03450	1.5
170.90138	1.0
174.75475	0.9
175.03999	4.6
177.01862	1.7
177.05576	0.9
185.39781	0.8
191.03477	1.6
203.03531	1.5
214.43098	0.9
227.77843	1.2
231.70172	0.9
267.06668	4.2
268.07578	1.3
281.04642	3.7
282.05380	8.2
283.06308	7.5
294.05267	1.3
295.06183	23.9
296.06946	89.1
297.07779	10.7
305.04654	1.2
306.05411	1.3
307.06122	6.2
310.08405	1.1
311.05609	6.8
323.05667	20.5
324.06381	1.4
325.07166	5.2
328.05975	6.4
335.05640	3.6
337.03363	1.3
337.07343	4.8
341.06607	1.1
353.06726	33.3
354.07718	1.5
356.05441	1.7
365.06732	7.1
383.07794	20.8
386.05820	1.0
395.07675	1.9
413.08832	3.4
473.10916	5.3
515.12036	27.2
545.13190	14.5
593.15436	3.6
635.16315	4.7
755.20526	100.0
756.21063	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	753.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.5
59.70964	1.2
71.01374	3.2
72.82922	1.4
81.54630	1.5
89.02492	1.5
97.02937	1.7
97.06565	1.9
99.00863	18.3
100.99846	1.4
101.02444	2.2
110.19152	1.6
117.07077	2.7
123.04494	2.9
133.06573	1.8
135.08145	8.5
152.99521	1.7
153.09213	21.2
159.89786	1.5
178.48796	1.7
179.07149	6.8
197.08186	34.3
215.09224	2.5
230.54251	1.6
266.90494	1.7
277.21732	100.0
433.17252	3.5
540.00726	1.5
693.38727	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	754.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	1.2
63.48695	0.3
63.63911	0.3
66.93716	0.3
68.05969	0.3
68.82748	0.3
69.14101	0.3
73.29356	0.4
76.27503	0.3
82.47386	0.3
89.33602	0.3
97.56654	0.3
112.59834	0.4
117.63865	0.3
128.10838	5.6
130.08739	100.0
142.24197	0.3
150.11380	0.3
154.87753	0.3
172.09811	65.1
216.08795	1.7
289.66879	0.4
297.04260	0.5
309.04077	0.4
327.05273	0.7
477.31198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.9
63.01663	1.1
71.01373	18.4
71.56526	1.1
73.02937	1.2
83.01412	1.7
85.02950	4.7
87.00867	5.2
87.23122	1.2
89.02426	14.6
97.02941	1.6
97.42490	1.3
101.02444	13.8
113.02459	6.0
119.03529	5.9
119.05066	1.3
121.04741	1.4
125.02446	6.2
161.04547	2.5
165.12860	17.6
165.39314	1.4
175.11401	1.4
235.08167	2.4
247.20715	14.8
265.07697	6.2
273.18628	6.5
291.19690	100.0
322.82242	1.4
397.13504	38.3
415.14594	25.2
475.20798	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	751.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	42.0
59.01380	51.7
68.73409	0.9
71.01373	22.9
73.02939	9.8
81.03448	1.9
83.01379	13.1
85.02959	8.5
89.02444	11.2
92.10742	1.4
97.02935	1.7
99.00848	1.3
99.04510	39.6
101.02441	22.9
113.02442	11.0
113.06049	1.6
119.03474	1.5
125.02446	23.8
131.07115	1.9
135.94841	1.1
138.06873	8.2
139.07654	2.2
143.03592	1.2
149.38879	1.0
151.04002	1.6
151.07632	6.0
152.08449	12.8
152.75380	0.9
153.08029	1.9
153.09222	43.1
155.03470	1.1
160.72211	1.0
161.04495	2.4
179.05687	1.2
205.12354	23.1
208.67058	1.2
223.13403	5.9
329.25443	1.1
361.16620	2.3
367.17609	4.2
385.18680	7.3
427.19879	9.7
464.54132	1.4
469.20956	2.5
485.23697	1.6
511.22061	1.4
529.22961	100.0
530.23267	1.2
621.25055	1.2
752.40894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	42.0
59.01380	51.7
68.73409	0.9
71.01373	22.9
73.02939	9.8
81.03448	1.9
83.01379	13.1
85.02959	8.5
89.02444	11.2
92.10742	1.4
97.02935	1.7
99.00848	1.3
99.04510	39.6
101.02441	22.9
113.02442	11.0
113.06049	1.6
119.03474	1.5
125.02446	23.8
131.07115	1.9
135.94841	1.1
138.06873	8.2
139.07654	2.2
143.03592	1.2
149.38879	1.0
151.04002	1.6
151.07632	6.0
152.08449	12.8
152.75380	0.9
153.08029	1.9
153.09222	43.1
155.03470	1.1
160.72211	1.0
161.04495	2.4
179.05687	1.2
205.12354	23.1
208.67058	1.2
223.13403	5.9
329.25443	1.1
361.16620	2.3
367.17609	4.2
385.18680	7.3
427.19879	9.7
464.54132	1.4
469.20956	2.5
485.23697	1.6
511.22061	1.4
529.22961	100.0
530.23267	1.2
621.25055	1.2
752.40894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39342	0.1
59.01376	0.2
61.98830	100.0
84.96929	0.1
85.47214	0.1
109.02939	1.0
110.03296	0.2
119.06460	0.2
121.02970	2.1
122.03703	1.8
123.04058	0.7
124.04211	0.2
134.03732	0.2
136.05354	0.2
137.02448	0.2
147.04494	0.8
148.04971	0.2
154.02693	0.2
161.06062	0.2
165.05579	3.6
165.06892	0.3
166.05928	2.4
167.06061	0.9
179.07149	1.1
180.07477	0.7
181.07729	0.3
181.40160	0.2
297.73660	0.2
311.72736	0.1
315.12180	0.2
316.12888	0.2
332.46143	0.2
344.16052	0.2
346.14111	0.3
347.14529	0.3
348.14648	0.6
349.15198	0.6
361.16595	6.8
362.16956	10.3
363.17221	7.4
364.17487	4.4
523.21808	0.2
524.22406	0.3
525.22443	1.1
526.22900	1.0
713.25891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40823	2.9
59.01388	43.1
60.40691	3.1
71.01404	18.0
85.02956	3.4
89.02435	31.8
101.02456	15.8
113.02464	6.5
114.48109	3.3
119.03488	4.9
123.34918	3.7
159.66148	3.6
179.05571	3.8
225.22285	7.9
428.49951	4.0
532.47479	21.7
550.48315	7.2
594.41010	4.0
704.75952	3.9
712.53748	100.0
713.53088	5.0
748.51965	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	746.253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
60.01705	0.2
60.44626	0.1
61.98839	100.0
62.09917	0.1
69.22311	0.1
71.01395	0.8
74.21377	0.2
76.66013	0.1
85.02956	0.2
92.10118	0.5
101.02448	0.9
113.02509	0.2
121.02957	0.2
138.32994	0.2
159.04454	0.1
188.75601	0.1
252.25505	0.2
269.08051	0.2
270.08524	0.2
281.08286	0.2
282.08652	0.5
283.09241	0.3
297.10068	0.2
312.09607	0.2
314.11963	0.2
316.12527	0.2
326.11700	0.2
327.12054	0.3
328.12262	0.2
330.14011	0.3
341.13812	0.3
342.14111	0.2
357.12433	0.2
358.12970	0.2
472.13080	0.2
479.17514	0.3
491.19125	1.2
492.19540	1.9
493.19720	2.4
494.20096	2.1
503.19180	0.3
504.19669	1.4
505.19965	2.2
506.19879	1.7
521.20813	0.3
522.20593	0.7
523.21173	1.0
524.21686	1.2
567.65680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79475	0.1
57.97512	0.1
59.01364	0.3
61.98831	100.0
62.72030	0.2
65.15546	0.2
71.01400	0.2
121.02931	0.3
131.01430	0.2
148.63365	0.2
159.04509	0.4
160.05237	1.5
161.05705	0.8
163.03973	0.3
164.04611	0.4
165.05458	0.2
175.07637	1.1
176.07890	0.7
177.05624	0.2
177.08308	0.2
178.06282	0.4
201.32910	0.2
329.14056	2.4
330.14294	4.0
331.14581	2.8
332.14865	1.0
336.09717	0.2
359.15079	0.4
360.15384	0.9
361.16199	1.1
362.16678	1.1
474.91574	0.2
503.43228	0.2
523.21191	0.2
524.21552	0.3
551.39404	0.2
570.34198	0.2
692.48706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17389	0.1
59.01387	0.6
61.98833	100.0
63.57458	0.1
63.77992	0.1
64.34363	0.2
71.01366	0.3
88.28362	0.1
101.02405	0.2
108.61410	0.1
109.55712	0.1
121.02882	0.2
122.03787	0.2
136.01671	5.0
137.01964	1.7
138.02136	0.6
151.04018	7.6
152.04359	3.9
153.04594	1.3
208.07399	0.2
223.09679	0.2
292.94467	0.1
343.11395	0.2
357.13541	2.3
358.13818	3.7
359.14154	3.3
360.14465	1.7
363.60104	0.2
520.19159	0.2
521.19305	0.3
522.20056	0.5
523.21594	0.3
647.53613	0.2
730.25269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24700	0.5
55.01889	4.2
57.03449	1.4
59.01386	23.8
61.98832	26.5
64.22775	0.7
70.89828	0.6
71.01379	20.5
73.02940	10.0
75.00885	1.0
83.01388	5.6
85.02951	11.6
86.00113	1.3
87.00882	1.4
87.87838	0.7
89.02442	8.6
95.01395	1.2
99.00888	3.8
101.02435	26.8
111.00892	1.1
113.02446	9.0
119.03516	1.4
121.02975	1.6
125.02405	0.9
129.01956	0.8
135.04501	1.1
161.04523	2.9
164.04834	1.6
166.06358	34.8
167.07135	4.0
177.05553	0.6
179.05659	2.1
179.07191	2.8
181.08717	55.3
216.11421	0.6
236.91306	0.7
251.09412	0.7
276.92212	0.8
311.40311	0.6
313.14386	1.2
343.14017	46.8
343.46133	0.8
361.16718	1.2
409.67038	0.7
477.03104	0.8
523.21893	100.0
524.22192	1.3
685.26837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.5
58.78365	3.3
59.01385	26.7
71.01398	5.4
73.19862	3.5
85.44690	3.6
87.00838	4.0
89.02448	16.0
92.10213	5.8
92.39345	3.4
101.02473	8.1
119.05065	5.3
271.06146	4.9
291.19717	31.4
309.20734	100.0
397.13409	18.5
415.14523	20.8
508.44266	4.0
707.35071	77.6
743.32361	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68604	2.2
57.41373	2.2
59.01388	14.4
59.71450	2.1
64.35093	2.1
69.32194	2.0
71.01395	11.2
79.17946	2.8
80.89322	2.5
83.01367	2.7
87.04398	2.4
89.02442	6.1
89.20007	2.5
89.88371	2.5
92.10168	3.6
97.01071	2.8
97.46421	2.2
98.49457	2.7
100.73126	2.5
101.02445	5.2
123.46699	2.8
209.11852	2.9
271.06055	5.7
291.19687	45.6
304.87836	2.9
309.20755	100.0
397.13483	31.6
415.14661	28.9
424.97809	2.7
743.32745	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67572	5.8
59.49633	6.1
78.95901	42.4
82.34579	7.4
93.20719	7.7
94.71822	8.5
133.22281	7.8
152.99579	38.0
183.10413	7.2
196.77295	7.5
205.61661	7.6
211.85403	6.2
279.23264	100.0
296.14197	6.8
301.19839	8.0
415.22278	7.5
507.27335	38.9
535.27954	7.4
690.91357	8.3
743.47717	12.3
760.19043	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	743.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98571	1.2
55.01892	8.6
57.03459	6.4
59.01389	85.1
69.03468	3.1
71.01388	100.0
72.99316	2.6
73.02948	19.0
81.03474	2.1
83.01405	14.5
85.02956	51.8
87.00866	20.1
89.02441	48.8
89.02996	1.8
92.10818	3.1
93.03423	1.6
95.01422	6.1
97.02948	11.7
99.00877	28.9
101.02442	64.6
109.02966	2.0
111.00908	9.2
113.02449	51.7
119.03480	23.5
121.02956	12.4
125.02465	21.3
131.03485	6.6
133.53668	1.5
135.04524	2.4
136.79099	1.7
141.02005	3.1
143.03513	22.1
147.04561	3.5
151.04060	1.7
159.03003	2.9
161.04562	45.9
179.05571	21.1
203.05597	3.7
221.06685	33.6
229.29959	1.6
245.06683	33.5
255.10251	7.1
263.07727	32.3
266.05878	1.7
269.08215	58.6
269.11270	1.9
271.09558	2.8
281.08044	11.0
283.09720	25.8
287.07925	1.8
295.09543	3.5
296.10330	1.7
298.12091	2.3
299.09326	36.6
305.08844	7.6
311.09314	60.9
314.11636	62.2
323.09848	79.1
325.10913	6.4
326.11606	43.5
329.13977	94.4
341.13980	38.8
359.14774	2.9
393.14786	1.8
503.19415	2.4
556.62921	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	743.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.6
57.03441	1.1
58.00600	2.0
59.01381	100.0
61.98849	1.1
66.99886	1.1
69.03464	6.6
71.01377	67.1
72.99307	3.0
73.02950	10.0
81.39495	1.1
83.01401	7.9
84.07024	1.2
85.02957	17.0
85.06604	2.4
87.00871	4.8
89.02439	64.5
91.12215	1.2
93.62663	1.2
95.01358	2.5
97.02956	7.6
99.00867	1.6
101.02430	37.3
103.12412	1.3
111.00874	1.5
113.02462	26.4
113.06076	2.9
119.03499	27.6
121.02984	6.5
125.02442	27.2
131.03523	6.7
131.07130	15.1
132.07585	2.2
135.04500	1.9
143.03506	7.3
147.04544	1.7
161.04553	11.6
170.09238	1.3
173.08170	5.2
179.05632	20.3
221.06723	20.0
255.10381	1.8
263.07690	8.2
269.08215	39.8
271.09735	5.0
281.08173	5.7
283.09824	14.0
295.09683	1.7
299.09320	22.3
311.09369	29.5
314.11649	32.1
323.09848	68.1
325.10855	2.2
326.11639	24.8
329.13977	44.9
337.06061	1.5
341.13925	19.0
359.30734	1.5
361.16663	1.8
396.41489	1.9
696.26459	1.3
743.22308	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	741.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78225	0.7
54.55930	0.7
57.03456	0.7
58.00603	4.6
59.01383	100.0
59.55367	0.7
71.01380	57.1
72.99315	3.6
83.01405	1.8
85.02943	9.0
87.00894	1.8
88.98795	0.8
89.02440	83.8
92.10105	2.2
95.01391	3.7
101.02441	29.4
108.02173	11.9
113.02457	22.2
119.03494	29.0
119.05048	5.0
121.02970	1.2
123.04517	15.2
125.02443	1.1
131.03522	3.7
143.03522	4.6
149.04601	1.5
159.04559	1.8
160.05336	3.8
161.04559	7.9
163.04031	4.0
167.37537	0.9
174.03207	1.2
179.05626	47.9
187.03983	5.6
188.04793	7.1
201.05591	0.9
203.07185	23.2
233.06197	0.9
251.07121	1.9
261.05591	4.8
263.07251	4.7
279.06650	11.6
281.08105	1.6
289.65366	0.9
291.06696	3.8
293.04834	1.0
293.08215	1.2
294.08957	8.5
296.10464	1.1
297.07666	1.2
309.07877	4.8
309.11334	27.9
311.13248	1.0
323.10068	1.3
324.10107	3.6
327.12366	1.8
339.12433	31.2
387.63281	0.8
412.10062	0.9
489.17688	1.7
501.17728	23.8
519.18829	15.8
660.79388	0.9
768.00787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01409	5.5
62.43420	2.9
88.05932	2.5
110.06151	13.3
120.01266	47.3
122.06139	3.7
124.07704	6.8
130.08755	5.0
148.04048	32.0
149.04811	10.8
150.05608	54.4
154.05083	4.4
154.08743	4.1
160.04015	5.8
161.04823	13.7
162.05531	3.5
173.03545	12.9
173.06042	14.0
174.04349	21.5
174.05652	19.4
175.05148	15.8
189.06635	10.0
190.07428	5.5
191.08321	12.0
200.07054	3.5
201.09261	12.5
201.44612	2.9
202.08754	6.7
215.08345	4.6
229.43980	3.3
231.07843	4.8
232.08527	6.4
233.09332	17.3
242.08304	4.6
243.09047	10.5
244.09969	28.2
273.12570	5.1
287.10532	3.8
303.13602	15.4
328.13043	17.7
344.16223	4.6
348.17020	3.7
356.16211	3.5
367.16696	4.5
386.17307	41.6
397.17685	79.7
398.17548	6.0
440.18378	11.2
441.16934	3.3
452.87497	3.1
458.19345	39.1
603.24957	9.4
618.90582	3.2
621.25763	100.0
622.26300	3.1
645.25623	3.4
742.28601	5.5
772.58307	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	740.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79924	0.4
59.01383	2.9
61.98832	100.0
67.18533	0.4
71.01384	2.3
77.11294	0.4
77.76230	0.4
89.02452	2.0
90.46620	0.4
101.02423	0.8
111.62608	0.5
111.77805	0.4
190.78827	0.5
260.89380	0.5
279.23279	2.6
280.23627	3.7
281.23969	2.0
347.26251	0.5
349.03937	0.5
398.14215	0.8
399.14114	2.2
400.14520	0.6
415.79099	0.5
432.70251	0.6
466.99014	0.5
518.21222	0.5
555.71765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
61.01810	0.1
61.98831	100.0
65.36787	0.1
77.19254	0.2
81.03445	0.2
82.03804	0.1
83.05009	1.3
84.05373	0.4
127.35751	0.1
151.00302	0.1
164.92677	0.2
171.98154	0.1
196.22539	0.1
225.16110	0.7
226.16357	0.5
271.06195	0.2
403.21976	0.1
451.32404	0.2
452.33444	0.3
453.33264	0.2
678.50098	0.8
679.50500	2.3
680.50671	4.6
740.49512	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	739.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57019	0.7
59.01380	17.4
61.98845	0.9
69.77778	0.8
71.01398	4.0
73.02964	1.2
78.95900	1.9
80.99669	0.8
87.53812	0.8
89.02448	1.9
101.02477	3.5
113.02402	1.1
114.96606	1.1
116.92863	1.9
139.11301	2.0
152.99609	1.4
155.10768	2.1
183.10275	52.1
183.26758	1.0
235.08258	1.5
242.93327	1.0
253.09378	6.1
277.21756	100.0
419.18985	1.0
513.30981	1.1
715.81207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76636	3.5
54.19708	3.3
56.41926	3.7
59.01390	21.7
59.04323	3.1
64.34415	3.4
66.56053	3.5
71.01398	4.8
79.64673	3.6
89.02457	3.6
91.16685	3.6
97.02937	5.3
99.00877	15.4
103.14253	3.5
113.02486	3.4
114.25862	3.4
118.38822	3.7
163.11255	9.2
163.95210	4.5
171.10277	24.3
181.12370	29.0
199.13376	30.9
207.10268	34.2
212.29056	4.1
225.11354	77.7
243.12332	15.8
253.09279	5.7
277.21768	94.4
361.37589	3.9
461.20401	8.4
496.28958	4.0
739.42963	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	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86378	0.9
54.82998	1.2
59.01392	6.5
61.98833	1.4
71.01379	4.4
78.95913	1.9
87.29063	1.3
89.02432	2.3
92.10797	3.2
101.02444	5.3
108.06045	1.1
110.03716	1.8
116.92882	1.1
119.03490	1.1
125.09698	1.0
127.11279	2.3
151.61604	1.1
152.99620	1.4
161.04544	2.1
163.11275	2.2
171.10280	100.0
189.09181	1.7
192.16722	1.3
197.11932	1.3
207.10262	9.0
225.11322	37.5
235.08269	1.5
253.09332	7.1
277.21759	81.1
278.22070	1.5
362.75616	1.1
374.25760	1.1
407.19388	2.3
443.19217	1.5
461.20218	2.6
721.41626	5.1
739.40662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15459	0.7
56.84142	1.0
59.01381	5.0
60.03126	0.8
63.68632	0.8
71.01384	4.4
78.95916	1.4
82.39263	0.8
89.02451	2.2
91.31305	0.9
91.87341	0.9
101.02449	3.9
127.11292	1.7
152.99620	1.2
161.04517	1.0
163.11331	1.3
171.10269	50.9
207.10310	4.3
225.11354	18.5
235.08264	4.2
253.09238	5.9
263.43134	1.0
277.21747	100.0
278.22131	1.5
291.19800	1.0
293.21133	1.0
357.32495	1.1
361.49466	1.0
443.19571	2.3
678.22925	1.1
721.41571	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	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	15.2
61.82035	1.5
71.01402	3.1
71.05051	3.8
83.01412	2.0
85.02934	2.1
88.05687	1.5
88.92300	1.8
89.02461	1.7
97.02937	3.0
97.06590	3.8
99.00890	25.5
101.02424	8.9
101.60704	2.2
106.00559	1.9
109.06533	1.8
125.09675	13.3
138.08043	2.1
163.11258	20.4
181.12398	25.4
199.13387	8.8
207.10301	33.6
225.11345	51.9
243.12442	15.3
253.09274	3.4
257.56940	1.9
262.64703	1.8
277.21762	60.0
281.24982	4.0
288.01968	1.9
415.07581	2.0
445.64972	2.1
461.20419	3.8
628.07141	2.0
722.45483	2.3
739.42822	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.1
60.09470	1.3
61.98834	7.0
63.00800	1.3
71.64559	1.4
71.91465	1.6
78.55438	1.4
78.95910	6.6
81.14733	1.4
89.02466	1.6
109.72404	1.5
116.92891	2.7
130.12207	1.6
150.48398	1.4
152.99597	1.9
183.10182	2.8
183.13914	9.4
193.12326	1.8
211.13428	100.0
249.18613	43.9
253.09343	3.4
277.21829	5.7
279.23529	2.4
447.22287	2.9
492.76309	1.7
706.15985	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	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36687	4.5
56.64095	3.8
58.02232	4.5
59.01389	19.2
71.01382	8.2
78.95895	7.1
87.22214	4.7
87.85918	4.7
108.07960	4.5
111.08424	4.4
113.19139	4.4
117.43084	4.8
125.09737	8.0
159.31151	4.9
171.10240	18.8
181.12396	18.6
199.13409	21.9
207.10324	28.7
207.83058	4.6
225.11237	38.3
277.21793	100.0
450.31860	4.9
454.28549	4.8
561.36279	5.0
682.63452	4.9
739.43066	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77552	2.0
59.01382	52.6
63.40551	2.1
71.01385	27.5
72.99335	2.1
73.02950	4.7
83.01389	3.3
83.30953	2.1
85.02965	9.8
87.00875	3.1
89.02434	28.2
97.00813	2.6
97.02943	3.9
101.02450	23.0
107.15514	2.3
113.02462	5.7
119.03538	3.5
125.02426	5.8
171.10280	18.6
190.42407	2.6
225.11359	8.8
235.08258	9.9
277.21741	34.6
281.24881	100.0
298.44525	2.4
305.08734	3.1
341.14648	2.6
397.13574	77.6
415.14886	17.6
620.45294	2.8
679.38879	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.21
Annotation	Vitexin 7-O-rutinoside
Peak:m/z	Relative Intensity
59.01389	3.1
59.08112	0.3
63.57611	0.3
64.53940	0.3
71.01395	0.4
79.01912	0.4
85.03014	0.4
93.03445	0.6
101.84992	0.3
103.01976	0.4
117.03460	14.4
117.04262	0.6
119.01469	0.4
119.05062	0.6
121.02950	0.6
131.01379	3.7
135.04539	0.5
149.02426	0.6
159.04535	0.6
161.02467	2.5
163.00449	0.4
163.04010	1.9
173.02443	7.0
175.00368	15.0
175.01927	0.5
185.02496	0.4
193.06587	0.7
203.03604	0.5
209.06021	0.4
210.64265	0.4
211.07629	0.4
221.06223	0.4
226.40297	0.4
230.02504	0.4
237.05600	0.5
249.05583	0.6
260.53802	0.4
265.05130	0.9
269.04501	4.5
281.04611	3.3
282.05295	1.8
283.06134	20.2
293.04587	100.0
294.04922	1.8
295.06055	2.3
310.05362	0.4
311.05630	29.9
314.04379	3.5
321.03998	1.6
323.05664	5.6
335.05627	0.7
341.06635	4.3
377.06287	0.4
395.07574	0.5
457.11395	6.2
575.14154	17.2
739.20984	22.8
740.21771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47698	1.3
57.03448	1.7
59.01398	6.9
61.98838	8.7
65.64519	1.3
71.88198	1.4
77.10689	1.2
80.96503	1.6
83.01408	1.7
85.02980	2.4
92.10121	1.6
97.17857	1.4
101.02458	2.3
110.40909	1.5
112.56140	1.4
114.39066	1.3
117.03477	5.9
119.05029	6.3
122.03735	1.7
125.02473	2.9
135.04648	1.3
150.03230	6.9
151.00330	2.7
156.95735	1.5
171.10268	1.6
177.01932	43.9
189.82521	1.7
209.11902	6.1
269.04520	2.0
290.06052	1.6
293.04617	3.3
334.64700	1.6
345.07748	34.0
355.20248	1.5
363.08841	44.1
541.11469	100.0
703.15533	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	739.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.3
59.01382	12.3
65.00336	0.7
68.60452	0.3
71.01374	3.4
72.99342	0.5
73.02949	0.3
73.68385	0.3
83.01409	0.5
85.02936	2.2
87.00905	0.3
89.02454	2.9
92.10767	1.5
93.03509	0.3
95.01395	0.4
101.02444	1.5
105.03471	1.3
107.01413	0.3
113.02463	0.5
117.03460	22.4
119.03519	0.4
119.05025	0.7
129.03467	2.1
133.02985	0.5
143.05048	2.0
145.02913	2.9
147.04507	1.5
149.02399	2.3
157.02914	0.5
159.04454	2.2
161.02438	7.1
163.00383	1.3
163.04013	1.3
171.04547	4.9
173.02454	4.7
175.00403	1.4
175.04034	0.6
177.01968	0.5
183.04539	1.3
185.02492	4.1
185.05998	0.4
187.00401	1.6
187.03993	4.6
189.01999	3.3
191.03552	1.4
198.03239	0.5
201.01907	0.4
203.03476	1.6
207.08331	0.5
211.04143	0.4
215.03526	4.5
217.01450	3.6
217.04767	0.4
221.06146	0.6
223.07639	0.7
227.03503	1.4
229.01416	0.5
235.07658	1.8
237.05566	1.4
246.06953	0.5
247.07553	2.2
249.05582	1.9
253.04973	0.4
261.05624	1.8
262.06390	0.4
263.03577	0.4
263.07132	2.2
265.05182	0.7
267.06607	0.5
268.03745	1.4
269.04584	18.8
269.72610	0.3
277.05038	6.9
278.05807	6.0
279.06619	2.8
281.04565	12.6
283.06119	0.6
290.05847	0.7
291.06665	12.3
292.03873	0.4
293.04605	15.4
295.02756	0.6
295.06104	4.5
297.04059	1.6
305.04565	6.2
306.05371	10.2
307.06140	18.1
307.09637	0.7
308.03207	1.3
309.04401	0.9
309.07693	1.4
311.05743	1.9
314.04095	0.5
321.04053	1.9
321.07709	2.2
323.05640	10.3
325.07245	1.3
333.07751	0.6
334.04895	0.7
335.05661	100.0
336.05911	3.0
337.07159	3.1
347.05499	2.7
349.07248	2.9
351.05331	1.6
353.06573	3.8
355.08420	0.7
365.06763	4.3
366.06882	0.4
377.06677	4.8
395.07764	5.2
413.08899	4.8
421.08472	0.3
515.11890	3.9
559.14368	0.6
575.14117	36.6
576.14606	0.6
593.14929	2.5
739.20990	32.5
740.21289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48269	0.1
59.01390	3.6
60.01725	0.2
60.20991	0.1
61.01801	0.2
61.98838	100.0
64.34289	0.1
69.03463	0.2
71.01389	2.0
72.01721	0.2
72.99320	0.2
73.01804	0.2
73.02947	0.2
83.01420	0.2
85.02953	0.3
86.03330	0.1
87.00885	0.2
89.02457	1.7
90.02776	0.1
91.02903	0.2
97.02959	0.2
98.03265	0.1
101.02444	1.2
110.05901	0.1
111.04545	0.1
113.02441	0.3
119.03492	0.3
125.02444	0.9
161.04588	0.1
163.86264	0.1
212.06973	0.1
235.08121	0.2
236.08580	0.2
246.06914	0.2
277.21771	2.3
278.22122	2.7
279.22348	1.3
280.22632	0.3
302.37656	0.1
329.36816	0.1
397.13596	1.1
398.13995	1.5
399.14066	2.1
400.14346	1.2
415.14069	0.3
416.15161	0.2
417.14883	1.0
418.15341	0.3
678.35577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83048	1.0
57.61094	0.9
59.01389	5.3
61.34885	1.0
61.98832	2.2
66.44141	0.9
71.01389	1.5
71.61634	0.8
120.01273	15.1
124.07642	1.6
134.06148	2.2
136.01599	1.2
136.07663	16.7
138.09189	2.2
154.15857	1.2
162.05626	6.7
169.40306	1.2
173.10858	6.7
185.10857	6.6
197.10870	14.2
198.11586	1.3
199.08794	16.0
213.14012	29.7
222.06955	1.0
237.10336	1.7
238.11064	5.4
239.11922	100.0
252.11401	1.3
278.12897	1.2
279.13812	4.2
291.13892	2.6
307.17273	1.2
308.17728	41.6
318.12646	1.5
319.18198	2.2
320.17648	7.4
332.13821	1.9
333.14795	5.5
336.20837	13.5
345.14868	1.4
360.17294	7.6
362.18799	88.3
376.16672	2.1
378.18381	1.6
380.19827	74.4
392.19479	1.6
406.17728	14.8
410.20932	2.6
424.18863	24.6
436.18912	7.6
454.19885	11.6
530.32245	1.2
543.26135	8.1
573.27246	2.1
587.25159	38.9
617.26294	74.2
738.28339	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	738.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79981	0.1
55.01885	0.1
57.01655	0.1
58.56900	0.1
59.01381	2.6
60.01731	0.2
60.09745	0.1
61.01796	0.2
61.98833	100.0
71.01378	1.3
72.01728	0.3
73.02940	0.1
84.06971	0.1
85.02942	0.2
85.36738	0.1
87.00851	0.2
89.02425	1.0
89.99480	0.2
90.02772	0.2
92.10668	0.2
101.02454	1.1
102.02781	0.3
105.20477	0.2
113.02450	0.4
124.39868	0.2
124.42559	0.2
125.02432	0.3
255.87132	0.2
272.18207	0.2
277.21826	1.8
278.22058	2.2
279.22305	1.0
280.22610	0.2
321.22336	0.2
392.10553	0.2
397.13565	0.8
398.13831	1.5
399.14142	1.8
400.14273	1.0
415.15027	0.2
416.14886	0.6
417.15448	0.3
418.15387	0.2
526.32233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64093	1.7
59.01385	10.1
64.34853	1.7
69.03461	2.6
71.01382	3.5
71.03032	1.8
78.38119	2.3
95.68074	1.8
116.92871	2.3
161.09738	2.5
169.12309	2.9
178.53929	2.0
179.10690	8.2
197.11855	58.2
223.09752	2.4
230.20453	2.1
241.10765	2.3
277.21732	85.2
298.95953	2.0
310.60739	2.4
350.82727	2.4
737.41235	100.0
738.41473	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	737.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83248	0.1
58.02971	0.3
59.01382	15.5
78.54058	0.1
80.05040	0.3
81.03452	7.7
83.05024	24.6
92.10822	0.4
100.07696	0.3
107.06178	0.3
108.04561	0.9
125.07208	1.6
126.05629	0.7
130.32776	0.2
143.08255	0.8
157.13510	0.2
181.17140	0.3
199.18201	0.2
207.15034	2.1
210.67528	0.2
224.17677	4.2
225.16106	16.8
226.16422	0.2
242.18896	1.2
256.30707	0.2
268.16608	0.2
290.22385	0.2
291.20721	0.2
305.44705	0.2
309.21902	0.8
324.26773	0.2
333.23035	0.7
341.29245	1.3
351.24213	0.3
367.27185	1.4
385.27597	0.2
433.31897	1.6
450.34619	1.8
451.32962	8.9
452.32602	0.2
550.43622	1.1
551.53528	0.2
559.39471	0.3
565.45111	0.7
593.44214	0.3
659.48724	2.5
677.49817	100.0
678.50110	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	735.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
61.98849	2.0
65.98643	1.4
71.01398	1.3
74.19724	1.9
76.55901	1.4
80.39618	1.5
83.01423	1.7
93.03470	3.0
108.02175	1.5
109.02923	1.9
110.35324	1.4
119.05064	1.4
121.02964	12.5
122.03761	16.7
123.04534	5.8
126.78284	1.5
132.02184	1.5
133.02988	9.0
134.03751	12.7
135.04533	3.4
136.01724	2.0
137.02443	1.6
145.02971	3.9
146.03804	1.9
147.04552	2.2
149.02434	33.3
149.06114	9.8
150.03238	100.0
151.04066	2.5
161.02484	6.4
162.03212	2.0
163.04039	2.1
164.04819	3.4
165.05585	72.5
177.02058	2.0
180.04358	3.2
192.08011	3.7
195.06636	18.4
207.10294	2.3
229.22115	1.8
271.06137	2.6
273.25662	1.7
293.79651	2.1
327.12439	2.6
477.19495	2.6
491.20636	3.3
509.21759	14.7
521.21704	2.9
539.23077	7.1
557.23615	2.5
627.25946	3.2
657.27478	20.4
669.27716	2.8
687.28412	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	735.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	6.6
57.03450	1.1
59.01386	1.2
63.88570	0.6
69.03444	1.0
71.01430	0.5
71.05017	2.8
83.05019	6.2
84.02185	0.8
85.02964	0.6
85.06580	6.4
93.36034	0.5
95.05032	9.6
109.06586	5.2
111.04522	1.0
111.08158	64.2
112.05293	10.0
112.08412	0.6
113.06076	19.7
121.06613	4.5
122.03711	6.3
130.28836	0.5
133.10133	0.6
135.08154	2.5
137.06075	7.5
139.07652	0.7
140.08405	0.9
151.11320	10.9
162.01675	0.6
165.05600	0.8
167.10765	0.9
169.11003	1.0
169.12340	21.0
170.05794	0.8
170.60294	0.7
177.09200	13.3
195.10274	92.0
196.10550	0.8
213.11345	100.0
330.50500	0.5
344.64035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97340	0.1
58.27383	0.1
59.01382	0.2
61.98833	100.0
92.65603	0.1
104.59200	0.1
139.15115	0.1
209.11871	1.1
210.12267	0.3
211.12386	0.2
249.83212	0.2
263.50507	0.2
334.34955	0.1
450.82016	0.2
467.84985	0.2
492.40866	0.2
575.82690	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03447	0.9
58.00602	0.6
59.01382	54.2
66.79090	0.4
66.82182	0.4
68.72870	0.4
69.03450	1.9
71.01378	27.9
72.99309	1.7
73.02937	5.6
73.03233	0.3
75.10607	0.4
81.03444	0.9
83.01373	4.8
83.05058	0.4
85.02945	6.8
87.00867	5.3
89.02437	27.5
95.01385	2.3
97.02956	4.5
99.00887	0.9
101.02435	22.6
109.02924	0.6
111.04523	0.6
113.02451	9.7
119.03504	6.6
121.02960	0.6
125.02441	8.0
131.03508	0.8
133.05074	0.7
139.04005	0.7
141.01707	7.0
143.03508	2.3
161.04562	4.2
171.36232	0.4
179.05647	3.9
199.06064	0.4
204.34563	0.4
221.06671	1.8
235.08220	8.7
236.50807	0.4
253.09290	1.9
270.20941	0.4
274.71835	0.5
275.06482	0.5
279.23312	100.0
280.23624	1.6
287.07712	2.2
305.08884	2.6
306.04413	0.4
323.09821	0.7
329.81659	0.5
397.13556	69.0
398.13617	0.8
406.36877	0.4
415.14609	22.4
450.11032	0.4
677.37885	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	733.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	3.4
68.58244	2.0
73.88574	2.3
82.31081	2.2
87.00851	2.2
93.03468	5.2
109.02986	2.6
115.86917	2.9
119.05038	2.5
121.02972	15.1
122.03763	14.7
134.03749	3.8
135.04549	4.4
136.01637	2.8
145.03036	3.3
146.03777	3.4
147.04616	3.6
149.02466	34.8
149.06093	2.6
150.03233	100.0
151.00386	4.0
153.83549	2.4
163.04042	3.1
164.04799	10.4
165.05571	63.8
175.04028	3.3
176.44456	2.4
177.05576	2.3
179.07237	3.0
180.04318	4.2
180.07921	4.2
195.04958	2.4
195.06654	21.1
209.11688	2.7
223.09836	4.8
239.07086	3.0
240.04317	3.2
255.06703	4.9
259.54248	2.4
267.06641	5.8
269.08224	9.7
270.09222	2.4
271.06155	5.7
283.09946	2.9
295.06265	5.3
298.08591	8.9
310.08563	9.1
311.09106	8.8
313.10773	9.0
314.11646	10.3
324.09979	2.8
325.10956	9.6
326.11682	3.7
329.13998	12.7
341.14059	3.9
343.12003	10.1
449.54965	2.5
474.16797	3.1
477.19308	9.5
489.19147	5.8
507.19843	3.8
519.20313	9.7
610.21942	4.7
625.24188	19.6
637.24512	17.4
655.25201	9.7
667.25690	13.9
685.26947	18.9
703.28241	10.7
715.28040	5.7
733.29291	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	737.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.0
57.03453	0.8
58.00608	1.8
59.01390	49.4
69.03454	2.6
71.01385	31.3
71.89551	0.3
72.99308	1.8
73.02950	4.9
81.03464	1.4
83.01381	3.9
85.02956	8.1
86.00117	0.4
86.73643	0.3
87.00865	6.3
88.18305	0.4
89.02442	28.6
91.03987	0.4
95.01397	2.5
97.02949	5.9
99.00877	2.0
101.02443	22.7
111.04551	0.7
113.02457	11.8
115.04033	0.4
119.03511	6.7
122.61469	0.4
125.02444	9.5
131.03482	0.7
133.05090	0.5
139.04091	0.4
141.01935	0.4
143.03525	3.3
149.04559	0.7
161.04567	4.2
169.05069	0.5
179.05595	4.0
179.54820	0.4
181.05115	0.4
217.07037	0.5
221.06664	1.9
235.08224	8.2
235.67159	0.4
253.09300	2.1
254.87476	0.4
263.07568	0.5
277.09384	0.4
279.23306	100.0
280.23715	2.0
287.07687	2.1
305.08765	2.4
323.09845	0.6
344.19260	0.4
367.79443	0.4
397.13556	69.8
398.13974	1.3
415.14618	25.0
677.37628	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	731.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33746	7.4
60.48011	7.3
65.05481	8.7
71.01393	14.4
71.40130	9.0
78.95952	12.9
99.16252	8.7
124.38842	9.3
129.82024	10.5
130.92416	8.7
193.64198	9.4
209.11874	100.0
249.18599	49.5
251.20308	11.6
735.91504	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	731.379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82678	4.1
55.63031	5.6
59.01385	9.1
83.05032	4.9
142.68054	4.5
161.91844	5.1
181.08705	52.3
208.10698	4.8
253.09294	8.4
277.21747	100.0
333.25024	4.4
401.68814	4.7
462.87262	5.1
474.53510	5.6
554.00531	5.0
731.37323	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
61.98831	100.0
62.51252	0.6
62.61178	0.7
72.30360	0.6
83.10302	0.7
171.10281	1.1
172.10553	1.1
277.21710	0.9
278.22211	2.5
279.22470	0.9
602.32031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98838	2.4
63.02421	2.2
65.00343	9.4
71.01398	2.5
74.40822	1.5
83.01419	8.7
92.10159	2.5
93.03471	3.4
107.01411	17.2
108.02175	11.5
109.02985	7.3
119.05019	50.7
125.02464	6.4
145.02921	2.2
151.00380	64.3
152.01155	13.6
153.01952	9.2
165.02072	3.4
169.01494	2.1
177.01869	2.4
177.10426	1.8
179.07050	1.8
185.06171	1.9
187.03984	2.1
271.06131	100.0
272.06613	2.0
277.58994	1.9
315.07230	31.0
331.93945	1.6
355.21512	1.9
575.63452	2.1
590.90601	2.0
655.42975	2.0
731.18317	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	729.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
66.55761	0.2
70.32318	0.2
70.76875	0.2
71.01393	0.2
72.20974	0.1
77.53871	0.2
96.95981	0.2
97.29217	0.2
112.36787	0.2
119.05025	100.0
120.05362	0.8
121.02957	0.2
123.61806	0.2
127.20116	0.2
149.02458	0.7
163.04019	72.4
164.04657	0.4
179.03546	0.2
179.07137	0.3
183.37166	0.2
223.06134	0.4
325.09311	11.6
353.65503	0.2
577.21454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.7
59.01608	0.5
60.42399	0.6
71.01392	6.3
72.99291	0.7
85.02981	1.3
89.02438	5.5
96.95986	0.7
101.02473	4.0
111.00777	0.7
113.02474	2.4
119.03529	1.1
119.05065	0.7
121.02944	5.4
124.86171	0.7
145.03012	2.5
147.04498	0.9
149.06079	0.9
161.06137	0.9
167.07208	0.7
170.80586	0.7
179.05562	0.8
181.08670	1.1
239.07133	1.2
241.05032	1.1
255.06654	4.6
256.07419	3.3
267.06641	2.7
268.07501	3.6
269.08218	5.5
272.67917	0.7
277.08746	1.1
281.08215	3.8
282.09024	3.2
283.09866	3.0
294.08978	0.9
295.09848	0.8
297.11255	1.2
300.06677	1.1
300.10016	8.9
301.10822	3.3
311.09402	2.5
312.10159	5.2
313.10849	2.7
315.12439	6.9
327.12561	9.1
329.10229	1.6
336.76822	0.7
341.09991	0.8
352.22342	0.7
462.15256	9.5
474.15390	19.1
477.17731	100.0
478.17755	1.1
489.10654	1.5
489.17740	45.9
507.18787	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28210	1.2
53.68729	1.6
54.82710	1.3
55.01877	1.4
58.00574	1.7
59.01385	76.5
61.49533	1.4
69.03481	2.1
71.01376	36.0
71.01727	2.1
73.02948	6.6
78.95906	1.8
83.01402	2.9
85.02969	7.2
87.00889	6.1
89.02431	32.1
97.02976	2.5
97.06661	1.4
101.02440	27.5
101.96829	1.6
113.02440	14.8
115.03934	1.7
116.92843	1.7
119.03490	10.1
125.02437	9.6
131.03473	2.0
141.09254	2.7
143.03529	2.6
149.04469	1.8
151.11316	3.2
161.04501	6.3
169.12350	21.5
171.10262	27.1
179.05685	1.9
185.38568	1.4
204.34196	1.7
235.08234	10.0
240.51770	1.6
253.09184	1.8
269.24887	100.0
277.21713	53.9
397.13562	85.9
415.14670	25.1
482.15643	2.6
495.32916	1.7
497.31714	1.8
556.19464	2.1
667.39209	2.8
675.22040	2.4
680.42334	1.6
709.41461	2.1
727.42889	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32750	2.1
59.01383	40.0
61.98827	3.2
67.24414	2.5
71.01378	6.9
78.95898	3.7
79.55412	2.5
89.02429	3.7
101.02427	4.4
134.89409	4.8
169.12335	47.3
171.10257	100.0
173.01112	2.8
189.70660	2.8
199.64532	2.9
223.55157	3.0
231.12370	3.8
277.21722	30.8
424.67380	3.2
510.49686	3.4
727.42633	97.0
747.09497	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	727.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20076	0.3
59.01382	18.1
71.01389	1.8
76.24787	0.4
89.02466	0.7
90.83053	0.4
97.02964	0.4
101.02449	2.6
113.02466	0.7
125.09707	0.7
127.11299	2.6
140.81247	0.4
171.10277	100.0
235.08182	0.9
253.09303	5.3
277.21747	51.5
278.22177	0.5
407.19330	2.4
616.11194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.5
71.01373	1.4
72.60633	0.6
76.79921	0.6
85.02958	0.8
89.02441	1.3
91.11246	0.5
101.02431	2.9
107.45555	0.5
108.87098	0.5
110.79222	0.6
111.87485	0.6
127.11250	1.2
161.04553	0.7
171.10274	72.6
175.20508	0.7
219.65469	0.7
235.08174	1.6
236.70395	0.7
253.09293	5.4
277.21747	100.0
350.30927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61241	0.6
54.80941	0.5
57.03450	0.5
59.01390	3.2
63.02399	2.9
65.00325	7.1
68.05493	0.6
71.01381	0.8
83.01393	6.1
93.03449	7.3
95.01362	0.7
96.95999	0.7
101.02477	0.8
107.01398	15.3
107.02058	1.0
108.02151	0.7
119.05022	33.2
125.02457	2.3
129.46443	0.6
145.02922	0.9
151.00375	51.4
151.04030	1.4
161.06073	0.7
165.01932	2.4
165.05460	0.6
169.01457	1.4
177.01949	5.7
185.06122	0.8
187.04071	1.0
227.07129	1.4
269.04562	1.3
271.06143	100.0
272.06729	0.6
567.14856	0.9
729.20428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01389	22.3
59.63396	0.4
66.56995	0.4
71.01401	3.9
73.02947	0.9
75.71854	0.4
76.12191	0.4
85.02972	3.2
86.00079	0.6
87.00903	1.2
89.02460	2.2
91.25081	0.6
99.00838	0.6
101.02442	0.8
109.02969	0.5
121.02977	4.7
134.03777	0.9
134.77168	0.6
137.02411	0.7
145.02927	0.6
151.04109	0.5
159.04523	2.8
171.10393	1.7
225.11372	0.8
237.09236	0.9
240.04410	1.5
246.63594	0.5
263.07162	2.4
267.06766	0.8
268.07336	2.0
269.08185	0.9
270.08932	2.1
280.07416	0.7
281.08228	14.5
282.08972	2.1
283.09753	4.6
293.08331	1.1
294.08734	0.7
295.09702	0.8
297.11322	1.1
299.09299	2.0
300.10300	0.7
302.07941	0.9
311.09192	2.1
314.08109	1.0
314.11417	0.6
315.12378	3.7
326.11523	2.5
327.12338	3.5
329.14178	0.9
341.13791	0.7
343.11954	1.9
355.11847	2.0
357.13354	1.2
369.13028	0.8
429.15558	1.1
445.14954	4.5
457.15045	5.8
460.17502	19.2
472.17474	10.3
475.19778	100.0
476.20264	2.3
487.19815	31.6
488.20340	1.0
505.20926	8.7
572.27484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43204	0.4
53.06113	0.3
54.25677	0.4
56.98137	0.5
59.01382	20.9
61.15260	0.4
63.53526	0.4
64.61452	0.4
71.01380	3.4
73.02921	0.6
78.84836	0.4
85.02958	3.1
86.00090	0.5
87.00869	0.8
89.02437	2.5
90.67461	0.4
97.53830	0.4
101.02458	0.8
121.02962	4.2
127.04040	0.5
134.03738	0.7
134.51372	0.6
140.73059	0.4
145.02946	0.7
159.03117	0.4
159.04523	2.8
171.10254	0.8
171.43910	0.6
173.53061	0.5
209.11757	0.5
217.55759	0.5
240.04289	0.9
253.08594	0.9
254.05789	0.5
255.06673	0.6
263.07196	1.0
265.08722	0.8
267.06638	0.5
268.07349	1.9
269.08060	1.0
270.09018	0.9
274.86563	0.5
280.07425	0.7
281.08206	13.9
282.08984	2.1
283.09750	4.6
293.08102	0.9
295.09732	2.1
296.10651	2.1
297.11206	0.7
299.09149	3.6
300.10184	0.9
302.07947	1.0
311.09213	3.0
311.12601	0.6
313.11084	0.6
314.08163	0.7
315.12433	3.2
326.11520	1.8
327.12427	2.4
328.09595	0.5
329.14023	1.1
340.09357	0.8
341.10251	0.8
341.13821	1.3
343.12003	2.1
355.11932	1.1
357.13312	1.1
429.15417	2.4
445.15262	4.8
457.15179	4.8
460.11060	0.6
460.17480	21.2
472.17432	9.2
475.19803	100.0
476.20197	2.1
487.19821	29.0
488.20401	0.8
505.21039	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	727.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83924	1.1
57.03455	41.1
57.32380	1.0
57.90489	1.0
59.01385	51.5
60.60331	1.1
61.98840	7.7
68.88182	1.1
71.01392	22.1
72.99364	1.5
73.02940	12.4
81.03465	1.7
82.44803	1.1
83.01411	11.3
85.02963	8.1
89.02444	9.0
92.10132	4.4
99.04523	37.7
101.02455	24.8
101.04254	1.2
113.02485	11.6
113.06075	2.9
119.03499	1.6
125.02452	27.5
126.57055	1.3
131.07152	5.6
131.63667	1.4
136.05342	1.7
138.06866	11.6
139.07703	1.9
143.03506	3.0
143.96164	1.3
151.07658	10.0
152.08461	14.7
153.09222	55.8
161.04535	4.9
163.11351	1.3
188.62526	1.4
205.12346	26.1
222.40575	1.2
222.42639	1.4
223.13403	7.4
290.17587	1.5
292.59409	1.4
311.64536	1.4
367.17657	7.1
385.18921	8.7
427.19824	10.0
467.23013	2.7
469.20761	6.7
485.24048	6.0
529.22968	100.0
727.27295	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	727.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83924	1.1
57.03455	41.1
57.32380	1.0
57.90489	1.0
59.01385	51.5
60.60331	1.1
61.98840	7.7
68.88182	1.1
71.01392	22.1
72.99364	1.5
73.02940	12.4
81.03465	1.7
82.44803	1.1
83.01411	11.3
85.02963	8.1
89.02444	9.0
92.10132	4.4
99.04523	37.7
101.02455	24.8
101.04254	1.2
113.02485	11.6
113.06075	2.9
119.03499	1.6
125.02452	27.5
126.57055	1.3
131.07152	5.6
131.63667	1.4
136.05342	1.7
138.06866	11.6
139.07703	1.9
143.03506	3.0
143.96164	1.3
151.07658	10.0
152.08461	14.7
153.09222	55.8
161.04535	4.9
163.11351	1.3
188.62526	1.4
205.12346	26.1
222.40575	1.2
222.42639	1.4
223.13403	7.4
290.17587	1.5
292.59409	1.4
311.64536	1.4
367.17657	7.1
385.18921	8.7
427.19824	10.0
467.23013	2.7
469.20761	6.7
485.24048	6.0
529.22968	100.0
727.27295	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	725.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.1
59.01382	45.0
61.22245	1.1
71.01374	29.1
73.02953	3.1
80.45304	1.3
83.01402	2.3
85.02985	3.1
87.00904	2.0
89.02441	23.3
92.65678	1.2
92.81960	1.2
97.02959	8.3
101.02443	21.0
107.89704	1.2
112.59652	1.2
113.02425	10.3
114.39264	1.3
119.03499	5.6
122.15800	1.3
125.02445	10.8
143.03471	1.4
161.04579	2.9
179.05594	2.6
214.12320	1.5
218.00085	1.5
221.06689	1.4
231.76785	1.6
235.08246	6.7
248.14110	1.2
253.09203	2.4
267.23337	100.0
287.07611	1.8
305.08572	2.0
397.13577	72.9
415.14639	25.0
665.37018	1.9
677.21075	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	727.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59619	5.9
57.03482	5.6
59.01382	35.8
66.64007	5.3
71.01403	7.3
73.02942	12.5
76.57934	6.0
83.01385	8.6
85.02948	65.0
87.00866	100.0
92.16142	6.0
94.25636	6.5
95.01383	24.0
97.02940	35.9
100.50478	7.3
109.02911	8.2
113.02457	27.4
120.40868	5.8
127.04015	9.3
132.53511	6.7
138.94626	6.3
139.00406	9.9
156.07390	6.9
175.02467	28.2
199.02489	13.1
217.03578	10.8
229.38185	6.7
349.70114	6.2
381.37784	8.3
387.09470	14.5
709.17749	13.5
727.19470	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	725.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28471	2.0
59.01386	8.7
60.03653	1.6
61.98845	9.9
71.01398	15.1
71.01738	1.9
79.50663	2.0
80.39928	1.8
83.01357	2.3
83.05031	4.2
84.02152	2.1
89.02459	8.3
95.05030	2.4
97.02951	4.0
101.02450	2.6
109.06623	16.2
113.16745	1.9
125.09754	2.4
163.11296	13.9
171.10275	3.1
189.09135	2.3
207.10309	50.8
209.11861	100.0
225.11322	28.9
227.12901	11.7
253.09369	9.2
271.06088	3.8
300.17215	2.2
461.20486	12.6
635.31097	2.5
645.22833	2.2
671.32404	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	725.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56517	1.7
59.01397	4.2
63.02405	3.7
65.00355	9.6
75.28555	1.8
77.56436	2.0
81.41139	2.0
83.01397	2.4
88.87334	2.1
93.03448	7.0
107.01356	16.8
119.05023	50.1
119.05804	3.0
138.00349	1.9
151.00377	53.4
167.07681	2.2
177.01924	8.7
228.04761	2.1
271.06137	100.0
374.78650	2.1
576.33942	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	725.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.9
59.01392	20.0
61.98853	2.3
63.56879	2.8
71.01396	12.9
71.45753	2.3
73.02951	2.3
83.01421	4.1
85.02975	20.3
85.04221	2.1
89.02458	10.9
96.96014	2.8
101.02430	5.7
113.02499	3.1
119.04950	3.3
125.02388	2.3
125.41098	2.3
137.02455	2.4
137.09685	2.7
140.08022	2.4
148.04050	3.4
160.04099	3.1
161.04765	5.0
171.10289	48.5
175.05132	2.9
211.13371	19.5
229.14363	10.1
233.09325	4.1
250.65137	2.9
262.30527	2.4
270.38452	3.0
327.21851	100.0
415.14423	21.3
468.17712	3.5
725.36530	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	723.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90520	0.3
57.08820	0.3
59.01389	0.4
62.66389	0.3
81.03448	5.4
81.80732	0.3
83.05020	16.9
91.80453	0.3
92.10797	0.9
107.06122	0.4
125.07191	0.8
133.31001	0.3
150.03217	0.4
153.05508	0.3
165.05566	0.5
194.17737	0.4
207.15015	1.6
224.17709	3.3
225.13997	0.5
225.16112	13.4
225.18307	0.6
242.18700	0.5
257.51648	0.3
309.21790	0.5
333.23029	0.6
341.28989	0.6
367.27304	0.6
385.28180	0.4
431.87427	0.3
433.32101	0.5
450.34521	1.3
451.32910	7.7
489.61697	0.4
492.46695	0.3
550.43365	1.2
565.44830	0.5
608.16046	0.4
620.91376	0.4
659.48505	1.8
667.42249	0.4
677.49786	100.0
678.50122	4.3
680.49902	0.5
723.50238	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	725.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24314	0.4
51.90953	0.4
55.20594	0.4
56.80025	0.4
56.94671	0.4
57.98804	0.4
59.01390	2.6
69.04733	0.5
71.01380	0.9
77.03965	0.5
93.03516	0.7
98.91100	0.4
101.02427	0.5
117.03449	16.3
121.03001	0.6
131.01384	3.0
135.04559	0.8
147.04451	0.5
149.02457	1.0
152.03415	0.5
159.04500	0.7
161.02478	3.8
161.77432	0.5
163.04013	3.1
164.20338	0.4
168.44235	0.6
173.02396	6.2
175.00359	14.0
191.03436	0.8
197.71901	0.6
210.75894	0.5
249.05461	1.0
265.04871	0.8
268.03815	0.6
269.04593	4.9
281.04605	2.9
282.05295	1.1
283.06165	25.3
293.04602	100.0
294.04898	2.4
295.06079	2.3
311.05667	45.3
314.04373	1.9
323.05673	7.1
341.06720	7.7
443.09796	4.5
575.14313	14.0
725.19489	33.4
726.20294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70208	4.4
55.01878	4.5
55.22037	3.5
59.01379	59.1
66.15969	4.8
69.83642	4.3
70.29314	3.8
71.01380	46.7
73.02972	6.2
85.02975	6.6
89.02451	37.2
95.01395	4.4
100.19409	4.4
100.77083	3.8
101.02438	32.7
113.02464	16.5
114.71608	4.1
119.03493	6.9
161.04515	4.7
187.72218	4.0
235.08284	6.8
247.24945	4.4
249.90710	4.2
263.20172	100.0
305.09055	4.5
327.49808	5.2
397.13565	97.1
415.14636	37.2
620.18042	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	723.2148
Annotation	Melitidin
Peak:m/z	Relative Intensity
53.38479	0.3
53.94502	0.3
57.03452	0.7
59.01390	3.1
61.74261	0.4
61.98827	0.5
63.02401	2.6
64.51041	0.4
65.00327	7.1
68.95509	0.3
71.01385	0.9
77.08904	0.3
79.24429	0.4
81.66856	0.3
83.01383	10.3
89.02452	0.4
92.10103	1.2
93.03454	6.3
101.02444	0.9
107.01386	13.9
116.92872	0.6
119.05019	34.4
125.02448	2.0
135.04471	0.4
136.01656	0.6
137.02480	0.5
145.02969	0.6
149.02473	0.6
151.00375	48.3
152.93291	0.4
161.06044	0.9
163.06140	1.9
165.01945	2.4
169.01389	2.0
175.00375	2.9
177.01918	6.3
185.06120	0.7
187.03960	0.9
193.01344	0.7
227.07129	0.5
245.06689	2.3
247.08185	2.3
271.06146	100.0
272.06433	0.8
295.06174	0.9
433.11508	1.0
465.28723	0.5
466.20499	0.4
475.12775	2.1
556.27802	0.4
723.21484	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
58.40485	1.3
59.01105	3.0
59.01385	45.3
61.98830	2.5
69.03459	2.6
71.01376	31.3
71.05009	2.5
72.99339	1.6
73.02955	6.6
74.50086	1.5
83.01405	3.7
83.05025	4.0
85.02965	8.2
87.00858	2.6
89.02449	22.5
93.03421	3.0
95.01393	2.4
97.02961	2.7
97.06606	2.5
99.00900	1.8
99.04520	2.6
101.02431	24.8
109.06600	2.7
113.02438	11.1
115.07639	2.7
119.03500	9.8
119.04967	1.7
123.04430	2.0
125.02454	6.4
125.09707	3.0
127.07633	8.9
135.08167	2.7
138.06964	1.6
139.07533	2.1
143.03528	1.9
153.09177	18.7
155.10786	2.5
161.04568	2.7
163.11281	9.4
165.12827	6.5
171.10291	26.3
178.10014	3.6
185.11752	12.5
191.10834	2.5
191.14375	3.8
197.11827	14.6
207.10312	2.1
209.11853	94.3
211.13402	2.0
218.76231	2.1
235.08130	3.3
238.12108	2.6
245.19125	2.8
253.09108	2.1
271.06091	3.9
279.19644	1.9
289.18076	19.4
307.19186	100.0
311.86743	1.9
325.20224	48.9
397.13562	24.2
414.23639	1.7
415.14609	25.8
636.26740	3.0
705.33496	24.4
723.34601	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	719.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	99.6
64.59389	4.0
68.23087	4.5
71.01392	57.0
72.99329	4.7
73.74666	4.1
78.75865	4.5
83.01416	5.5
85.02977	21.5
89.02462	56.4
101.02439	33.0
113.02455	20.1
119.03502	11.8
142.69629	5.0
146.03741	25.4
164.04785	10.6
179.05702	11.3
179.07150	39.1
182.05826	26.3
197.08246	56.2
235.18674	5.3
270.33328	5.2
281.11957	5.8
281.81775	5.2
359.13522	100.0
369.98184	6.1
445.62561	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	719.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	99.6
64.59389	4.0
68.23087	4.5
71.01392	57.0
72.99329	4.7
73.74666	4.1
78.75865	4.5
83.01416	5.5
85.02977	21.5
89.02462	56.4
101.02439	33.0
113.02455	20.1
119.03502	11.8
142.69629	5.0
146.03741	25.4
164.04785	10.6
179.05702	11.3
179.07150	39.1
182.05826	26.3
197.08246	56.2
235.18674	5.3
270.33328	5.2
281.11957	5.8
281.81775	5.2
359.13522	100.0
369.98184	6.1
445.62561	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	721.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.5
59.01390	2.6
60.79131	0.4
61.98839	0.5
63.02412	2.8
65.00335	5.1
67.78749	0.4
69.02303	0.4
71.01402	0.7
83.01405	7.6
85.02999	0.5
89.67904	0.6
93.03479	6.3
96.96019	0.6
101.02472	0.7
107.01406	13.4
113.02408	0.5
119.05033	35.7
125.02450	1.8
135.04468	0.8
136.01637	3.0
137.02409	0.9
145.03017	0.8
146.02118	0.5
151.00388	43.7
151.04048	2.2
161.04623	0.5
164.01141	0.5
165.01936	2.4
165.05527	0.5
169.01402	2.7
175.00403	2.3
177.01921	5.9
183.11505	0.6
185.06010	0.5
187.03993	1.1
187.19907	0.5
189.01909	0.5
204.06705	0.5
219.94576	0.5
227.07133	0.9
245.06715	0.9
260.58823	0.5
269.04459	0.8
271.06158	100.0
295.06165	0.6
313.07236	0.6
395.07663	0.8
427.19684	0.5
433.11456	0.8
475.12189	3.3
504.07523	0.5
531.70886	0.6
533.46533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69718	56.8
64.62048	58.3
66.78870	64.0
71.01368	75.6
73.57240	59.7
83.01419	83.8
97.07030	56.2
98.85809	65.2
119.04997	90.4
175.75136	63.3
222.62921	71.6
289.07422	79.7
310.05704	71.6
318.92169	65.6
329.13953	100.0
401.13956	70.6
414.71655	63.2
471.27603	64.6
720.11627	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	6.7
57.84183	5.9
59.01384	87.0
59.53806	5.4
61.98842	37.4
63.73621	5.7
67.39328	5.3
67.75156	5.8
71.01381	56.6
85.02964	9.3
89.02441	68.8
96.94296	6.4
96.95997	50.1
97.02943	5.9
101.02447	30.5
107.11515	5.7
113.02470	30.5
118.82050	7.0
119.03504	38.7
121.02946	23.0
137.02492	7.5
143.03535	9.2
161.04564	15.4
179.05646	85.8
209.04649	7.1
213.00134	7.0
264.89407	6.1
272.46603	9.0
283.09839	13.2
311.09210	54.9
326.11685	37.2
327.12424	9.0
341.14017	81.8
466.66907	7.8
719.23267	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	717.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	4.0
59.01379	44.5
59.71127	3.2
62.68192	3.1
71.01391	26.5
83.01386	14.0
85.02972	8.0
87.00890	4.4
88.15887	3.0
89.02453	6.6
93.03473	4.7
95.06785	3.2
96.96053	4.9
100.63425	3.5
101.02460	23.9
104.54774	3.2
113.02456	8.7
119.03532	4.5
121.02984	23.8
122.03759	13.6
137.02388	4.7
138.09541	3.9
145.02998	3.7
145.42622	3.6
147.04492	4.8
149.02463	65.0
150.03227	100.0
164.04793	14.3
165.05589	59.5
180.04277	5.9
195.06639	20.9
220.07439	7.4
249.11320	8.2
253.08731	4.6
299.09354	5.1
315.12231	4.1
327.12299	3.7
431.15076	6.5
443.20013	3.9
477.19467	4.9
491.19519	33.0
503.19235	24.5
639.24677	5.7
651.24762	48.9
669.25635	56.0
717.27551	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	717.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64131	0.6
54.82899	0.7
55.01905	0.8
56.45192	0.6
57.37566	0.6
57.44675	0.7
59.01385	18.2
70.41741	0.6
71.01385	13.3
73.02950	1.6
80.02676	0.8
81.03476	1.4
83.01387	1.5
83.05042	4.4
83.87102	0.7
85.02953	2.7
87.00896	1.7
87.31727	0.7
89.02441	13.9
93.03467	3.4
95.05023	1.0
96.96032	1.1
97.02935	1.1
99.00928	1.0
101.02444	9.1
108.02208	0.9
109.02969	4.1
113.02482	5.0
119.03510	5.0
121.02958	13.2
122.03748	8.1
125.02454	2.9
132.02191	1.6
133.02979	4.9
134.03760	3.2
135.04520	7.9
137.02493	1.8
146.03754	1.1
147.04549	5.5
149.02463	37.2
149.06099	3.7
150.03238	61.0
151.03932	1.1
158.03876	0.9
159.04556	1.6
160.05299	11.9
161.04668	1.5
161.06111	6.0
163.04068	6.9
163.11385	5.4
164.04800	11.5
165.05579	35.8
165.12871	1.6
175.07649	10.9
177.05638	4.6
178.06361	4.0
179.05562	1.5
180.04280	1.4
193.05130	1.1
193.08736	1.0
195.06639	9.0
206.01337	0.9
209.11867	100.0
227.12886	9.8
235.08286	1.8
243.17099	0.8
285.07913	1.1
305.08722	1.1
315.12375	5.5
323.13000	1.1
329.13971	23.3
344.12836	1.5
357.13736	1.4
397.13556	32.9
415.14706	17.3
431.14273	0.8
477.19089	6.8
492.18246	1.8
507.20288	63.6
537.21021	1.8
555.22467	35.0
607.26019	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	719.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14103	0.6
59.01379	10.7
59.01628	0.9
71.01373	7.3
89.02435	15.6
93.13656	0.7
101.02444	6.2
113.02473	5.1
114.57667	0.8
119.03482	5.9
143.03584	1.3
161.04716	0.9
179.05602	5.9
189.47864	0.7
197.02306	0.8
211.16914	0.7
215.03299	3.5
249.38075	0.8
341.10950	23.7
377.08600	100.0
411.24084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40739	1.3
59.01391	23.1
60.88547	1.7
71.01398	11.3
73.02960	2.7
83.01382	1.9
85.02980	6.4
87.00889	2.3
89.02467	3.3
93.03473	3.7
101.02463	7.2
103.62041	1.5
113.02473	5.8
121.02943	8.9
122.03728	11.2
124.92883	1.6
135.04607	1.9
147.31529	1.6
149.02438	26.2
150.03236	100.0
158.65147	1.7
161.04497	1.6
163.03937	2.8
164.04794	7.3
165.05557	71.0
174.07608	1.7
180.04280	6.6
195.06642	22.4
195.45320	1.5
269.08078	1.9
283.09756	2.5
298.08597	2.0
314.11517	2.2
318.08597	1.7
326.11624	3.1
327.12372	2.5
329.14056	2.7
355.12280	2.4
433.43591	1.6
476.16870	2.6
477.19308	2.1
491.19312	20.8
503.19235	22.8
507.20648	2.4
651.24365	15.4
669.25604	26.2
717.27899	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	716.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22338	0.1
54.26624	0.1
57.40541	0.1
59.01385	2.7
60.01720	0.2
61.01805	0.1
61.98833	100.0
62.21865	0.1
68.52303	0.1
68.91684	0.1
71.01385	1.4
72.01716	0.2
73.02966	0.2
83.01363	0.1
85.02945	0.2
87.00845	0.3
89.02439	1.3
90.02759	0.2
93.63103	0.1
97.02946	0.2
100.04066	0.1
101.02453	1.1
102.02807	0.1
113.02451	0.3
114.02778	0.2
119.03516	0.2
120.03892	0.1
125.02418	0.2
161.18259	0.1
166.28049	0.1
218.23833	0.1
219.38933	0.1
235.08369	0.1
255.23293	2.7
256.23679	2.4
257.24036	1.1
258.24060	0.2
350.50751	0.1
397.13373	0.6
398.13989	1.5
399.14026	1.9
400.14334	0.6
416.14825	0.2
417.15198	0.5
418.15604	0.2
656.37695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94090	4.1
58.30501	4.0
59.01393	64.5
61.98855	7.4
62.46698	4.2
71.01403	28.3
81.03471	4.2
89.02448	35.6
92.10042	7.8
96.96021	100.0
101.02456	8.1
108.02232	5.0
113.02478	16.4
115.30463	4.0
119.03490	22.2
123.04554	5.4
161.04504	6.7
179.05614	75.3
203.07120	8.0
309.11316	23.4
339.12378	28.2
448.08847	4.9
489.17944	7.7
501.18146	33.4
519.18903	46.0
681.28125	5.8
717.21613	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.76798	3.0
62.62095	3.4
71.62920	3.4
91.27532	3.6
107.35658	3.6
136.60170	4.1
138.69975	3.7
158.30533	3.6
296.75064	3.7
307.32242	3.7
410.05493	3.9
459.17520	4.3
496.13995	24.6
497.14340	5.7
510.15387	4.8
511.16245	14.6
544.16284	7.0
545.29364	4.3
567.18610	7.6
599.21790	37.9
657.22046	8.1
711.00891	4.4
717.24237	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51538	6.5
53.08349	5.2
54.28114	5.0
58.80941	5.4
59.01390	34.9
61.98841	8.3
63.90245	5.1
71.01389	14.1
75.95101	5.7
89.02460	22.5
101.02444	21.9
104.38077	5.8
106.09769	6.6
106.63431	5.2
152.99527	6.1
160.86267	7.6
209.11864	11.3
273.76920	6.6
279.23346	81.0
397.13477	100.0
409.73206	6.9
415.14392	29.2
496.01935	6.6
713.35181	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98052	0.3
54.82505	0.3
59.86491	0.3
60.71006	0.3
69.50616	0.3
71.62648	0.3
74.22295	0.3
83.05049	0.6
90.17321	0.3
90.99570	0.4
92.10107	1.2
94.09655	0.4
135.70905	0.3
137.29153	0.3
208.20305	0.3
229.59332	0.3
257.84155	0.4
490.91461	0.3
677.49597	3.1
713.47467	100.0
714.47754	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	715.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82565	80.3
55.17268	75.1
61.98833	79.2
67.61274	73.4
69.22799	79.8
104.81967	90.4
107.91203	96.9
130.06493	100.0
165.39528	87.7
226.36176	93.6
341.00864	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95215	0.5
59.01372	4.2
59.17617	0.4
61.01799	0.4
61.98831	100.0
67.50723	0.4
71.01369	3.6
73.02911	0.6
76.61383	0.4
89.02442	3.2
92.10033	0.4
101.02437	1.7
113.02457	0.6
116.44917	0.4
131.25185	0.4
160.94913	0.5
196.92334	0.4
255.20805	0.5
255.23254	3.9
256.23624	4.2
257.23798	0.8
280.64517	0.5
314.38110	0.5
349.84952	0.5
355.00714	0.5
396.23248	0.5
397.13531	1.9
398.13806	2.8
399.13962	4.1
400.14304	2.1
415.15091	0.5
416.15292	0.8
462.45770	0.5
634.74463	0.6
749.23334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32669	1.6
59.01101	4.0
59.01381	54.7
59.01652	2.9
61.98854	9.8
64.91258	2.0
67.76884	2.0
71.01383	37.5
72.99305	2.3
73.02969	4.3
73.95800	2.0
78.00386	2.0
85.02964	9.6
87.00901	2.7
89.02438	35.1
92.10711	3.2
97.02945	2.9
97.94079	2.1
101.02439	33.4
111.09888	2.0
113.01790	2.1
113.02415	16.9
116.92866	13.9
119.03507	10.2
125.02408	5.1
161.04529	4.5
162.26311	2.3
179.05585	3.6
194.89330	2.6
209.23409	2.4
235.08221	4.3
253.21730	24.1
277.21606	2.4
363.47214	2.4
397.13641	47.6
415.14603	100.0
485.16562	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	712.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80560	0.5
55.43020	0.6
55.86610	0.5
56.69964	0.4
58.14726	0.6
59.01392	3.9
61.98831	100.0
71.01388	1.2
89.02449	1.0
90.95667	0.6
101.02436	0.8
161.93130	0.7
177.50113	0.6
197.11888	1.1
199.45773	0.6
251.20192	2.4
252.20607	3.6
398.13925	0.9
399.14081	1.4
401.03946	0.6
435.08612	0.7
488.81702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47371	6.9
58.09374	5.4
59.01384	36.1
59.72931	5.6
61.98827	6.0
62.64103	5.4
63.18239	5.7
71.01376	12.2
80.80129	6.3
87.83994	6.8
89.02456	26.8
99.07721	6.4
101.02445	11.3
113.02444	9.0
116.92865	89.7
116.97241	47.6
178.96042	6.8
214.40974	6.6
235.08292	10.0
279.23291	83.7
397.13464	100.0
415.14740	31.5
677.37665	17.1
713.35229	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.4
57.34726	2.0
59.01396	9.5
61.98840	9.7
63.80153	2.1
71.01395	3.3
71.24310	2.2
89.02469	2.7
92.10188	4.7
97.06604	5.4
101.51920	2.3
133.20091	2.2
151.11272	18.9
161.48811	2.6
169.12347	58.3
192.50931	2.4
213.11348	2.9
277.21744	65.7
709.41791	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	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08450	3.1
58.80524	2.2
59.01391	10.8
61.98841	3.2
71.01382	4.3
72.55542	2.3
85.03473	2.2
92.10773	9.7
142.72736	2.3
151.11311	15.1
169.12347	100.0
182.95164	2.1
213.11351	5.8
277.21808	22.0
324.93436	2.6
449.20563	5.0
566.53064	2.5
709.41791	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
61.98831	100.0
71.01396	2.3
76.73678	0.5
78.65917	0.5
84.44351	0.5
85.36514	0.4
89.02442	1.9
92.11723	0.5
101.02437	0.5
112.42117	0.5
113.78175	0.5
140.07297	0.5
150.35352	0.6
249.18636	0.8
250.18864	2.3
251.19217	0.7
398.13818	2.1
399.14111	2.6
400.14377	0.9
417.15097	0.7
423.40372	0.5
423.74307	0.5
560.10486	0.5
615.74603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82707	0.1
59.01406	0.2
64.48231	0.2
64.52344	0.2
71.01379	0.2
73.71060	0.2
85.02961	0.2
88.78049	0.1
92.10740	0.3
93.03471	0.2
96.96014	0.6
97.48897	0.2
110.11946	0.1
119.05023	100.0
120.05373	1.1
121.02944	0.2
140.08536	0.2
149.02437	3.4
149.56876	0.2
158.06062	0.2
163.04019	72.8
164.04765	3.7
179.07138	0.9
193.01405	0.2
205.05109	0.2
208.03813	1.7
222.92575	0.2
223.06134	2.6
274.25244	0.2
325.09341	6.4
554.30377	0.2
655.39966	0.2
666.83374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03458	1.4
58.00607	1.7
59.01384	48.7
59.04335	0.3
61.48354	0.3
66.78908	0.4
69.03470	1.9
69.67838	0.4
71.01379	26.8
72.99316	1.7
73.02944	6.1
75.00867	0.5
81.03472	1.3
83.01389	4.0
83.05052	0.5
85.02951	6.6
87.00868	5.0
89.02440	29.9
92.10851	0.6
94.07590	0.4
95.01396	1.8
97.02952	5.8
99.00851	2.3
101.02441	22.9
103.04036	0.5
109.02988	0.5
111.04519	0.7
113.02442	10.7
115.04027	0.6
119.03493	7.2
121.24131	0.3
123.04581	0.4
125.02441	8.2
131.03513	0.6
132.95274	0.3
133.05042	0.7
139.04019	1.3
143.03511	3.4
143.60101	0.3
149.04570	0.4
149.93188	0.3
161.04556	5.1
169.05086	0.5
179.05594	3.2
185.04442	0.4
221.06660	1.9
233.19157	2.1
235.08240	8.6
251.20190	100.0
252.20531	0.7
253.09322	1.6
263.07831	0.6
287.07736	2.1
305.08875	2.8
323.09879	0.6
379.12830	0.4
397.13562	76.5
398.14252	0.4
415.14658	26.1
418.09195	0.4
425.06778	0.4
520.43201	0.4
597.20044	0.4
643.19550	0.4
649.34204	3.1
721.90015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89509	0.7
55.01884	1.4
56.91283	0.6
58.00610	1.5
59.01382	55.8
69.03435	1.3
71.01379	27.3
72.99286	0.8
73.02938	7.2
75.00895	0.8
83.01388	5.1
85.02946	6.5
87.00858	6.2
89.02439	31.7
92.10087	0.9
95.01418	1.2
97.02921	5.5
99.00896	1.5
101.02435	27.0
111.04538	1.0
113.02438	13.0
115.04010	1.1
119.03479	6.6
125.02433	10.2
133.05052	1.1
143.03540	1.7
149.58481	0.8
161.04523	5.7
164.32594	0.8
179.05602	3.6
179.74745	0.9
205.99902	1.0
221.06648	1.1
233.19164	1.0
235.08238	10.3
251.20192	100.0
253.09323	1.4
287.07718	1.3
305.08752	3.7
379.12296	1.3
397.13559	84.6
398.13931	0.9
399.10489	1.4
415.14615	26.8
444.21060	0.8
649.34094	3.8
705.75092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.1
63.02408	1.0
65.00335	3.8
65.00910	0.7
69.50110	0.6
71.01374	6.3
80.74847	0.6
83.01385	5.0
93.03446	5.7
95.05019	2.1
97.02942	0.7
99.04510	0.9
106.04242	0.7
107.01403	9.4
109.06584	1.1
110.03748	0.9
113.17436	0.6
119.05022	25.4
125.02429	1.1
135.04475	0.7
136.01707	0.7
137.06108	0.8
151.00378	36.0
163.11285	4.3
165.01945	1.2
169.01402	0.9
171.10281	28.1
175.00320	0.7
177.01936	3.8
189.09155	1.5
197.11874	1.0
207.10301	8.8
225.11357	24.7
243.12430	1.4
243.79356	0.6
271.06152	100.0
272.06522	0.7
331.14084	0.8
379.24670	0.7
433.11395	5.3
444.22177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.5
57.03467	1.2
58.00591	0.9
58.71052	0.7
59.01389	66.0
61.65205	0.6
61.98854	0.9
63.94838	0.6
69.03462	1.5
71.01388	40.6
72.99319	3.2
73.02951	8.5
75.00902	1.1
76.57307	0.6
81.03498	1.2
83.00979	0.8
83.01372	6.0
84.18158	0.6
85.02960	11.4
87.00867	7.4
89.02449	37.5
95.01405	4.0
97.02965	6.6
99.00894	3.1
100.24268	0.8
101.02441	29.8
101.03091	1.3
113.02459	15.6
119.03487	9.2
125.00721	0.8
125.02444	11.6
127.28984	0.8
133.05090	1.7
143.03513	3.4
161.04556	6.2
169.05156	0.8
173.75957	0.8
176.76743	0.7
179.05591	3.5
188.47787	0.7
189.81248	0.7
205.19577	1.4
209.12010	0.9
221.06630	1.5
231.17410	1.1
235.08276	11.4
249.18616	97.4
253.09375	3.9
263.07813	1.3
287.07877	1.1
305.08710	3.0
307.09906	0.9
323.09830	1.1
382.06537	0.8
397.13547	100.0
398.14136	1.0
415.14648	34.9
415.20328	1.1
461.44028	0.8
596.79462	0.8
647.33099	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	707.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
57.03463	2.0
58.00609	0.8
59.01391	28.3
59.01690	1.1
61.98852	0.4
69.03461	1.0
71.01382	16.7
72.99305	0.9
73.02944	2.6
83.01387	2.1
85.02967	3.5
87.00872	3.2
89.02443	15.5
95.01385	0.9
95.05047	0.5
97.02968	3.0
97.06567	0.8
97.56048	0.4
99.00879	0.9
101.02444	12.2
111.08184	0.5
113.02453	6.2
113.09696	2.0
115.07641	2.1
118.82587	0.4
119.03490	5.2
125.02464	4.6
126.06828	0.6
131.03534	0.5
141.09213	0.7
143.03534	0.9
161.04582	2.4
165.12874	3.7
167.10666	1.6
167.14397	1.9
176.59482	0.5
179.05627	3.3
181.12376	4.2
183.13860	0.6
193.12306	3.1
193.15906	0.5
195.13895	2.5
197.11845	1.7
209.11845	0.7
211.13431	4.0
217.15912	0.5
221.06612	0.6
221.15465	2.0
229.14471	1.0
235.08238	2.3
237.22101	0.4
239.12962	0.5
240.13675	0.9
241.14403	0.7
247.20622	6.3
253.09271	0.6
265.21609	0.9
266.27380	0.5
273.18613	3.6
277.14468	0.5
281.21198	2.4
291.19690	40.8
309.20755	100.0
310.21069	0.8
311.22415	0.7
397.13580	15.4
415.14590	16.1
707.35089	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	707.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41594	1.1
52.55350	0.9
56.13822	1.1
57.93411	1.0
59.01383	26.8
59.01659	1.7
71.01380	18.5
82.86442	1.3
85.02982	2.0
87.00851	1.3
89.02439	14.4
97.02972	2.8
97.06596	2.2
101.02443	12.4
113.02476	6.4
113.09743	2.5
119.03519	5.0
141.09303	1.6
143.08855	1.3
161.04565	2.0
165.12856	3.0
179.05589	2.1
181.12376	2.2
195.13855	1.9
211.13441	6.7
221.15468	2.8
224.69022	1.4
233.25766	1.4
238.23947	1.5
247.20688	5.4
253.09276	1.8
270.23096	1.3
273.18582	2.3
291.19702	47.6
309.20746	100.0
348.11194	1.5
364.27975	1.5
397.13571	17.5
415.14532	16.1
707.34998	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	703.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38371	39.2
65.42685	45.1
67.52620	43.1
78.95931	50.7
97.64812	52.0
108.83189	48.1
115.04727	59.6
142.53682	49.4
193.40553	59.3
198.71454	49.6
214.05870	57.9
239.31314	51.0
241.65424	62.3
248.81590	49.0
255.23312	100.0
501.90286	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91632	44.7
61.98843	79.3
73.35670	42.7
78.98007	51.6
82.95409	82.4
122.07584	52.7
123.89841	58.2
139.81978	53.9
255.23335	100.0
330.84119	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.7
60.01717	1.5
61.01811	0.5
61.98832	100.0
63.80858	0.2
67.08954	0.2
67.30246	0.2
72.47643	0.3
87.91849	0.2
251.39285	0.3
342.17905	0.3
439.13641	0.3
440.13470	0.5
441.13867	1.2
455.15109	0.6
482.15167	1.8
483.15433	4.1
484.15442	7.2
496.17432	0.3
497.16608	1.9
498.17090	3.3
500.18631	0.5
517.15094	0.3
542.16412	0.6
543.16949	0.5
556.18701	1.1
557.19012	5.0
558.19110	9.9
574.15765	2.3
575.15729	4.5
588.17999	0.5
589.17590	1.6
643.22980	1.4
644.22888	6.0
703.25330	2.8
704.24969	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	707.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14827	6.2
59.01398	15.4
59.97898	7.4
61.98868	8.6
71.01414	10.9
91.33147	7.3
94.27170	8.2
109.06603	11.1
114.38540	8.3
116.03111	7.0
139.53954	7.5
200.29329	8.1
207.10333	59.9
209.11827	100.0
225.11330	18.3
253.09081	13.3
271.06137	10.3
309.20715	16.4
635.30762	34.2
653.31940	18.1
671.32831	39.0
707.31097	37.1
711.77319	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	705.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87592	0.6
55.93705	0.5
59.01389	3.7
61.98815	0.7
71.01384	1.3
81.03468	0.7
83.05027	5.5
84.02157	0.7
89.02477	0.9
93.03438	0.6
101.02432	2.8
113.02479	0.7
113.42883	0.7
119.05063	0.7
126.19374	0.7
141.09515	0.6
141.24672	0.6
163.11307	3.3
165.12822	3.9
171.10303	1.3
181.64441	0.7
209.11856	100.0
211.13417	1.0
227.12906	10.3
253.09314	4.6
271.06274	0.6
301.83698	0.8
445.20612	0.9
449.45813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60480	0.4
59.01393	0.6
63.02415	0.7
65.00323	7.2
65.00594	0.5
72.92850	0.4
82.00617	0.4
83.01385	5.9
93.03457	0.9
107.01385	11.9
108.99320	0.7
115.05495	0.5
117.03474	2.3
119.05025	23.6
121.03019	0.5
125.02444	8.7
132.16658	0.5
133.02956	1.2
133.06570	0.7
143.05029	11.5
143.06061	0.8
145.02963	8.6
151.00378	35.7
155.08592	0.8
157.03012	1.6
157.06601	18.1
159.04523	82.8
160.04884	0.7
161.06062	3.1
164.01195	1.1
165.01927	1.0
167.03545	0.5
175.00386	3.1
175.07617	8.5
177.01964	1.1
181.06601	2.7
183.04539	10.4
185.02470	7.3
185.06102	8.9
187.04008	5.3
193.01422	2.1
196.05388	0.8
197.06160	0.9
199.03999	2.7
199.07684	12.6
201.05595	100.0
203.07251	0.6
207.04585	0.8
209.02702	0.6
209.06166	0.7
210.06750	0.5
223.07626	0.8
224.04758	0.8
225.05609	15.9
227.03506	9.2
229.05069	8.8
237.09409	0.6
239.07074	2.0
241.08694	0.9
243.06630	18.7
249.05579	3.0
251.03537	3.9
263.07120	0.8
265.05109	0.7
265.08652	2.1
267.06595	9.5
269.04562	5.7
283.06161	0.6
291.06543	1.2
293.04575	3.5
295.06018	0.6
303.10309	2.3
307.06470	1.1
307.09818	4.2
308.06958	0.6
309.07742	7.8
311.05658	61.8
327.09570	0.7
333.07663	3.4
335.05707	9.0
345.11240	2.7
351.04544	1.1
351.08777	25.0
353.06680	15.0
359.05740	2.0
371.09372	2.8
377.06607	7.3
389.10385	16.0
395.07623	5.3
411.12506	0.8
415.08221	7.2
455.11688	0.9
497.12607	2.9
515.11786	0.6
523.10437	10.4
541.11499	69.9
542.11664	2.8
557.13257	2.8
565.11395	0.8
583.11578	0.6
703.16827	71.9
704.17133	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	703.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11755	1.1
59.01389	7.0
61.98836	1.9
65.00331	9.9
67.07705	1.3
69.37458	1.2
70.77622	1.2
71.01415	1.5
72.87937	1.2
83.01418	3.6
93.03465	2.2
95.01308	1.5
99.93264	1.4
105.30915	1.5
107.01400	12.0
109.34908	1.6
119.05019	28.8
121.02971	1.9
125.02431	13.8
133.02971	2.6
137.02457	2.5
143.05020	15.1
145.02957	9.9
149.02467	1.5
150.03229	6.1
151.00375	42.8
151.04114	1.6
157.06583	26.4
159.04517	88.2
161.06079	3.6
164.01093	2.5
165.02013	1.8
165.05614	3.5
167.03532	1.6
175.07643	9.7
177.01891	3.2
181.06601	2.2
183.04517	9.2
185.02448	9.9
185.06027	2.5
187.03975	6.2
191.48193	1.6
193.77710	1.4
195.06696	2.4
199.07651	15.3
201.05598	100.0
222.95407	1.4
225.05530	19.0
227.03502	10.8
229.05020	10.3
243.06615	22.5
249.05583	1.8
251.03426	8.6
265.08575	1.9
267.06699	11.0
269.04755	5.8
271.06070	3.6
293.04507	1.6
295.06143	1.6
307.09848	2.3
309.07645	6.8
311.05670	64.9
335.05566	8.4
345.11343	3.5
351.08630	26.1
353.06741	21.2
363.08759	2.2
371.09317	3.1
377.06650	9.1
385.02487	1.7
389.10400	20.6
395.07813	6.0
415.08334	7.9
497.12424	2.7
523.10492	9.4
541.11505	71.4
541.19818	3.1
542.12463	1.7
635.74176	1.9
703.16742	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1673
Annotation	GB1a-7''-O-glucoside
Peak:m/z	Relative Intensity
53.86398	0.2
57.03465	0.2
65.00331	5.6
68.99830	0.9
83.01379	2.7
92.10847	0.2
92.99821	1.0
93.03446	4.8
95.01389	1.4
104.99824	0.3
107.01395	5.1
108.02216	0.3
110.00106	2.0
111.00896	1.3
117.03449	1.8
119.05022	36.4
120.05374	0.3
120.99298	2.4
121.02929	0.4
123.00896	1.6
124.01650	1.2
124.98792	0.2
125.02431	3.6
131.05040	0.3
133.02924	1.0
135.00877	0.4
136.01672	0.5
136.98799	3.6
139.00377	3.2
141.07117	0.2
143.05037	3.9
145.02965	5.0
145.06609	1.8
147.04579	0.3
148.98813	1.0
149.02475	0.4
149.99609	1.8
151.00381	15.7
152.01064	0.5
153.01855	0.3
155.05048	1.3
157.06654	1.9
159.04510	1.3
163.00363	0.5
164.01192	4.0
164.98341	0.5
165.01949	1.1
165.99089	2.1
166.99867	3.9
169.06598	3.3
171.04587	2.5
173.06046	1.7
177.01941	2.8
179.32231	0.2
180.00667	1.0
180.05836	0.4
181.06580	1.5
183.04492	1.8
183.08162	0.3
185.06119	1.9
187.03992	1.0
192.00667	1.4
193.01480	0.3
193.06622	0.3
195.04523	0.3
196.00151	3.2
197.06081	3.7
198.06685	0.4
199.04039	2.1
199.07671	0.9
201.05595	7.2
209.06071	0.3
211.07613	2.5
213.05615	2.4
215.06912	0.3
221.09756	0.5
224.04791	0.6
225.05600	3.8
225.09192	0.3
227.03574	0.6
227.07162	3.0
229.39467	0.2
235.07684	0.5
239.07187	0.5
241.05086	13.2
242.05835	0.4
243.06642	4.7
245.09549	0.3
247.07726	0.3
251.07158	0.3
253.08934	0.3
255.06650	2.0
263.06894	0.4
265.08759	0.4
267.06726	0.9
269.04578	23.9
270.05350	8.7
271.06110	4.9
279.06683	0.5
281.08221	0.5
283.06161	2.6
286.04770	0.5
287.05679	1.3
293.04684	0.5
295.02866	0.5
295.06125	2.6
305.08148	0.9
307.06265	0.4
307.09772	0.3
309.04144	0.8
309.07700	2.5
311.05606	1.6
321.07648	0.4
323.05783	0.9
325.07236	1.6
329.11734	0.4
333.07779	1.1
335.05722	0.4
337.03592	0.3
347.09116	0.5
349.07211	2.0
351.08939	1.9
353.06705	2.1
371.09470	0.3
377.06567	3.0
387.08820	0.3
389.10361	15.5
390.10806	0.3
391.08508	0.4
393.06128	1.3
395.02551	0.4
395.07736	11.3
403.08420	0.5
415.08096	1.1
421.05710	4.6
455.11612	0.4
457.09546	1.8
497.12479	6.2
541.11450	100.0
542.11505	2.5
565.11609	1.2
583.12415	0.9
703.16730	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	701.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59813	0.6
51.06321	0.8
54.26812	0.8
55.01894	3.9
57.03465	3.8
59.01386	26.7
67.28493	0.8
71.01379	22.3
71.01720	1.1
72.99323	1.3
73.02948	8.7
75.00894	0.9
80.57537	0.9
83.01393	7.6
85.02951	12.3
86.00112	1.1
87.00867	1.9
89.02445	7.6
93.03466	1.7
95.01393	1.4
96.96024	3.5
99.00860	2.0
101.02432	20.5
101.03010	1.3
105.84553	1.0
111.00898	1.2
113.02470	7.6
119.03503	1.4
121.02967	4.8
122.03770	7.1
125.02414	1.0
133.02942	9.7
134.03777	4.1
136.01706	0.9
137.02438	4.4
141.01936	0.9
147.04602	1.1
149.02452	44.7
149.06091	5.3
150.03236	54.9
161.04582	1.5
162.03203	1.5
164.04800	9.5
164.77515	0.9
165.05579	39.5
166.06340	8.3
167.07127	1.8
180.04272	3.8
181.08740	10.1
182.05821	1.4
195.06644	8.0
206.58008	0.9
214.50548	0.9
281.06668	1.3
314.11703	8.0
315.12344	1.4
329.14023	25.4
343.14108	9.1
357.14929	1.0
472.40536	0.9
474.79224	1.1
479.15796	4.2
491.19318	86.4
531.53815	1.0
539.21460	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	701.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95676	1.6
57.03444	1.8
59.01380	17.2
61.38413	1.9
61.98845	4.4
65.00340	2.1
71.01402	7.5
72.26934	1.8
73.51476	1.9
75.41405	1.8
79.15597	1.8
83.01390	2.7
89.02456	3.8
93.03454	13.9
99.08010	2.2
107.01402	8.6
109.79487	2.0
117.03474	39.5
119.04987	2.5
125.02446	17.2
127.05383	2.2
131.89105	2.0
135.04510	3.8
137.02487	2.4
151.00410	18.7
159.04532	27.7
161.02431	8.3
181.06566	28.1
183.04514	9.3
200.67722	2.4
207.04573	10.4
207.83604	2.0
223.04105	4.0
225.05576	48.6
227.03593	2.7
249.05557	17.6
251.03526	59.2
267.06732	14.9
271.06183	3.4
275.03580	9.4
293.04596	31.3
312.69931	2.1
319.02469	7.7
322.63034	2.2
369.07816	19.1
386.23370	2.2
387.04025	4.0
387.08813	76.2
393.07901	2.5
413.06726	49.3
435.08823	9.0
437.06580	3.0
477.09778	11.5
521.09045	22.7
539.09924	100.0
540.10498	3.3
701.14923	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	701.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98659	0.3
59.01383	100.0
59.55517	0.3
63.44720	0.3
89.62753	0.3
180.57928	0.3
226.53014	0.4
244.82277	0.4
307.90063	0.4
370.74649	0.5
398.11728	0.4
423.10580	0.8
437.12695	1.6
438.13510	8.1
439.14111	0.7
445.34070	0.4
451.14096	0.9
452.15085	4.6
453.15906	0.8
456.14789	0.4
466.12903	0.7
467.13647	0.9
470.12372	0.9
480.14566	1.7
481.15274	52.1
482.15567	3.2
495.16855	18.4
495.24158	0.7
496.17786	0.8
497.18640	4.6
514.15240	3.6
523.16132	0.6
525.14313	0.7
539.15497	3.6
540.16498	7.2
553.17249	0.7
554.18359	2.8
555.18945	52.4
556.19086	2.0
567.18915	0.8
572.15576	24.5
573.16901	0.5
586.17200	7.8
587.17114	0.5
609.20050	1.6
627.21246	1.7
641.22681	29.0
701.24799	67.3
702.25262	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	701.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29788	1.0
63.30740	0.8
65.00343	3.8
83.01389	1.1
107.01421	4.5
117.03471	5.4
119.05035	2.0
125.02455	1.8
151.00378	12.4
163.00319	1.1
164.01218	1.1
165.22777	0.9
165.99211	1.0
194.90012	0.9
195.04405	1.4
199.03989	1.2
211.04054	1.4
216.04475	1.0
217.59479	1.1
231.42079	1.1
239.03459	4.6
255.02963	2.4
267.03043	1.8
268.03726	4.9
278.69791	1.0
283.02560	1.5
284.03299	37.6
285.04068	7.5
300.06039	0.9
313.05475	1.3
387.08789	82.7
388.09296	1.5
411.08917	4.0
429.09790	1.4
453.09778	6.4
455.07712	8.8
471.11404	2.2
495.10986	16.6
539.09924	100.0
540.10266	1.3
581.11749	2.0
670.66797	1.2
701.14764	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	701.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.4
58.55203	0.3
59.01389	1.5
61.31294	0.3
65.00323	3.6
68.14725	0.3
71.01405	0.5
71.23758	0.3
73.48312	0.3
83.01373	2.4
90.52991	0.3
91.70255	0.3
93.03455	13.8
107.01397	4.1
117.03464	45.6
118.03802	0.4
119.05077	0.6
125.02444	11.3
127.05532	1.4
134.73553	0.4
135.04538	2.7
137.02446	0.7
149.02536	0.5
151.00369	14.1
155.05054	1.9
157.06622	4.4
159.04512	16.3
161.02454	7.9
167.03578	0.4
175.00400	0.4
177.01939	0.5
179.04973	2.6
180.05817	0.4
181.06602	43.7
182.06897	0.6
183.04504	9.8
193.06618	1.7
197.06163	0.4
201.05492	0.5
203.03517	5.2
205.06595	1.8
207.04503	10.2
209.47398	0.3
211.07680	0.6
221.06247	0.3
223.04085	6.8
223.07619	4.0
224.04721	0.6
225.05598	98.6
226.05923	1.8
247.04008	2.1
248.04825	0.5
249.05598	28.4
251.03520	65.1
252.03905	0.5
265.04984	2.4
267.06659	34.6
269.04559	1.6
273.05612	0.5
275.03543	12.3
284.92877	0.4
289.08685	0.5
291.03540	0.4
291.06570	2.6
293.04602	42.1
301.08728	2.7
309.07782	0.4
319.02542	9.0
319.09848	0.8
333.07678	4.1
343.09875	0.8
359.05887	0.7
369.07660	1.5
377.06711	5.4
387.08795	59.7
388.09100	1.7
396.74149	0.4
399.90851	0.4
413.06717	49.9
414.07230	1.5
429.09833	1.8
435.08774	0.6
477.09964	1.9
518.67792	0.5
521.08691	3.6
539.09930	100.0
540.10358	3.9
549.14099	3.7
563.09534	0.6
575.12201	1.8
581.10120	0.5
611.12366	0.5
701.15204	17.2
702.15887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.3
71.01372	1.1
87.04559	0.9
88.79224	0.9
92.10149	1.2
98.76637	0.9
100.04675	0.9
101.02451	1.8
114.34221	0.9
114.42192	0.9
127.11297	1.6
161.04530	1.1
167.53952	0.9
171.10269	100.0
190.95180	1.0
249.18622	44.3
253.09242	5.0
268.29449	1.1
277.21768	1.2
308.89859	1.1
321.31259	1.0
407.18997	2.1
538.65845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12982	0.8
59.01384	24.6
71.01401	1.2
73.02966	0.7
78.95901	1.0
82.93365	0.7
82.95454	0.9
85.58897	0.8
89.02441	1.8
95.05062	1.0
97.06591	4.4
99.08181	1.6
101.02459	1.6
113.02470	0.8
116.92889	0.7
125.06090	27.8
143.07149	72.3
190.48982	0.9
225.26999	0.8
235.08264	1.6
253.09366	7.2
277.21753	100.0
278.21976	1.5
661.45709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94093	0.9
59.01384	4.8
64.34680	0.9
71.01404	1.5
71.17036	0.9
77.80061	0.9
83.01357	0.9
89.02473	1.1
91.17372	0.9
93.03451	1.1
100.05724	0.9
101.02451	1.4
109.02945	1.9
110.02601	0.9
115.52003	0.9
119.05025	2.2
121.02939	10.2
123.04635	1.2
125.02494	0.9
135.04565	1.9
136.01694	1.5
137.02480	1.3
145.02968	4.5
147.04535	4.2
151.03929	1.6
159.04510	2.3
163.03966	2.0
171.04462	3.6
172.05315	1.5
176.77379	1.0
203.07155	4.0
220.07529	1.3
230.08064	1.1
231.08159	0.9
247.07744	1.2
256.07251	1.1
257.15472	1.4
265.08505	1.7
271.06079	1.4
275.07126	4.9
276.07928	4.4
277.08633	4.3
281.08203	4.9
282.08759	1.3
288.08066	1.3
289.08627	2.3
290.09442	2.3
291.06915	1.3
291.10086	2.0
292.07446	4.9
293.08240	27.8
294.08966	7.6
295.09628	2.2
296.10510	2.2
297.07751	1.8
298.08456	2.1
303.10242	1.7
304.07440	3.5
304.10812	1.1
305.08286	21.0
306.09073	17.6
307.09799	10.1
308.10568	27.6
309.11377	32.9
310.08499	4.1
310.11795	2.2
311.09348	4.3
312.10080	2.1
319.09802	4.2
320.10562	21.6
321.11264	22.6
322.08453	3.7
322.12045	4.6
323.09180	6.4
323.12933	22.1
325.10822	5.0
326.11511	13.0
335.12958	6.2
337.11017	7.4
338.11673	14.7
340.13129	6.1
341.14087	1.8
371.14917	2.2
415.88174	1.1
429.13229	1.4
432.15884	4.4
444.15912	5.4
447.18237	9.5
459.14029	1.7
462.16833	2.0
474.16995	14.4
477.19226	78.0
477.24863	4.9
478.19580	1.5
489.19485	13.4
504.17746	2.2
507.20352	34.3
519.20294	100.0
520.20300	1.9
537.21448	12.5
692.94684	1.1
700.00537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74669	0.3
59.01397	0.5
61.98841	0.2
63.02404	1.7
65.00326	2.0
71.01398	0.3
74.20098	0.2
75.48062	0.3
83.01402	0.6
93.03446	3.7
107.01395	3.1
117.03461	18.9
119.04979	0.3
125.02394	0.3
130.58627	0.2
135.04512	0.7
137.02489	0.3
141.89337	0.3
151.00357	4.3
153.09811	0.3
159.04523	8.4
159.05786	0.5
161.02432	1.8
179.05077	1.2
183.65742	0.3
184.08832	0.3
195.04529	0.4
203.03511	1.6
221.06088	1.6
223.04031	2.6
233.06129	0.4
235.07362	0.3
245.06071	0.4
247.04074	0.4
261.05493	0.3
263.07159	0.5
267.02994	0.6
271.06210	1.2
287.07053	1.1
289.05109	0.6
291.03149	0.3
301.05246	0.4
303.06573	0.5
305.04578	3.4
306.05423	1.1
307.06122	10.0
309.04108	2.3
317.04578	1.7
318.05484	0.5
319.05969	0.5
329.04623	1.6
330.05411	4.4
331.06161	37.0
332.06488	0.6
333.04041	6.1
338.17459	0.3
343.06079	1.8
345.07660	0.4
346.04691	0.4
347.05347	0.6
355.06140	0.6
357.04135	4.2
371.05472	0.4
373.07242	1.1
374.04376	11.2
375.05145	100.0
376.05490	1.5
387.05112	0.5
389.06720	1.0
390.39505	0.3
398.04361	1.1
399.05136	12.7
399.10391	0.5
401.02988	7.9
401.07675	0.4
416.05399	1.1
417.06219	17.8
443.04172	5.1
451.08347	1.1
519.07349	1.4
537.08472	11.9
563.08228	0.3
579.11682	3.2
605.09528	1.2
699.13672	81.7
700.13788	2.1
707.72766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03414	0.5
55.17579	0.5
59.01386	100.0
61.04905	0.5
121.02952	3.0
140.46671	0.5
184.03406	0.5
191.03568	0.7
191.24039	0.6
209.04652	0.7
215.73149	0.5
270.80933	0.7
593.13251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82910	1.0
59.01393	2.7
61.98868	1.1
64.34832	1.0
65.41994	1.0
67.40480	1.0
71.01409	1.2
83.01418	1.2
96.96062	1.2
101.85104	1.3
119.05019	2.4
122.03748	9.7
123.04558	1.8
136.05286	2.6
148.05313	1.3
149.06131	2.0
154.02673	1.7
164.04799	1.9
175.07635	2.5
177.09155	8.1
190.06372	2.5
271.06210	5.4
313.14474	100.0
475.19815	26.4
590.52380	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	697.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34349	0.3
55.46008	0.4
57.03457	0.7
58.00595	0.5
59.01389	1.0
71.01395	0.7
71.56927	0.4
75.18156	0.4
81.03471	0.6
83.05026	4.6
84.02217	0.6
87.00880	0.5
125.09747	4.9
127.11288	5.7
128.03543	2.7
137.09706	0.7
139.11301	0.6
151.04094	0.5
155.10788	2.5
163.11319	2.9
165.09207	2.7
165.12871	2.2
171.10278	2.2
183.10306	1.8
191.10782	0.7
199.09787	1.6
201.11346	100.0
202.11717	0.7
209.11861	67.6
225.11337	0.6
227.12920	20.4
243.12430	0.6
245.13951	33.1
249.05586	1.0
313.02029	0.4
316.64389	0.5
408.58398	0.5
451.32773	3.5
553.78552	0.5
681.40662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33540	0.2
56.21367	0.2
56.48929	0.2
56.56000	0.2
59.01378	1.2
60.29720	0.1
63.02397	3.0
65.00320	6.3
68.99796	0.2
71.01381	0.9
83.01383	5.7
89.02438	0.3
92.10210	0.2
93.03452	6.8
101.02435	0.3
107.01389	15.6
109.12473	0.2
119.05017	37.4
121.02955	0.4
125.02436	2.0
131.01335	0.2
133.02922	0.2
136.01654	0.5
137.02454	0.7
143.05005	1.1
145.02968	1.5
149.02417	0.4
150.03275	0.3
151.00372	48.6
161.06090	1.1
164.01152	0.2
165.01932	2.5
169.01430	2.7
175.00359	1.4
177.01933	5.2
179.03505	0.2
179.07167	0.2
185.06099	1.4
187.04012	2.1
193.01352	0.4
203.07057	0.2
227.07138	1.5
229.05089	0.7
253.05046	0.2
261.09772	0.3
264.81949	0.2
271.06140	100.0
272.06387	0.8
279.10797	0.3
295.06201	1.2
306.85303	0.2
313.07150	0.3
381.43674	0.2
470.69174	0.2
478.37766	0.2
497.59656	0.2
500.15167	0.2
695.21960	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	695.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98821	0.5
78.95897	5.9
83.35435	0.4
98.00787	0.4
106.21259	0.4
116.92870	2.6
134.55394	0.5
162.78255	0.5
167.06537	0.5
201.46011	0.4
217.82336	0.5
261.64081	0.5
279.23416	0.8
328.71255	0.5
357.17438	0.5
422.98102	0.6
472.38309	0.5
667.18695	0.5
695.31396	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01382	1.7
62.54073	0.1
64.66636	0.1
65.72610	0.1
66.87425	0.1
71.01397	0.4
73.02935	0.2
81.07494	0.2
83.01397	0.3
85.02976	0.3
89.02448	0.2
99.92587	8.3
101.02453	0.4
106.92796	0.2
111.32117	0.2
113.02461	0.3
114.93430	0.4
116.92863	100.0
117.03448	0.2
117.42834	0.2
117.92896	0.8
119.05080	0.2
125.02428	0.3
130.17690	0.2
173.02505	0.2
191.03687	0.2
222.23666	0.2
293.04605	3.6
311.05704	0.3
413.08911	0.4
533.26044	0.3
577.15613	1.5
632.51587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16136	2.9
52.02624	2.7
57.03455	6.1
59.01394	35.1
69.07613	3.1
71.01405	19.6
71.15210	2.6
73.02930	3.2
74.62418	2.5
77.60133	3.0
81.32056	3.0
83.06472	3.2
85.02956	14.0
89.02460	18.9
95.01451	4.8
96.96018	4.7
99.04503	4.0
101.02452	14.5
102.78591	3.1
113.02435	17.8
121.02964	22.4
134.03789	16.3
135.04497	6.6
149.06104	11.9
155.77707	3.3
161.04488	4.0
209.04572	12.1
250.41389	3.1
279.01672	3.3
281.04648	6.3
296.06934	15.8
299.09259	5.4
307.14026	7.0
311.09366	4.8
374.08066	17.0
389.10425	25.8
401.10306	13.2
404.12674	28.0
416.12598	20.1
419.15121	67.1
431.15048	7.6
467.17151	100.0
479.17285	67.6
497.18234	72.4
560.48126	3.2
659.23602	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	693.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	17.4
68.80637	14.1
80.04362	14.1
96.35506	13.6
99.75196	14.1
122.14600	16.3
149.74309	17.3
209.11865	91.9
211.13443	100.0
248.67558	14.6
604.92310	16.8
664.33759	16.4
693.32581	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	693.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40686	0.5
54.53077	0.5
61.51332	0.5
61.98849	0.6
63.02395	5.5
65.00323	8.1
68.93890	0.6
83.01392	7.0
88.11344	0.6
92.10699	0.9
93.03455	8.9
96.31219	0.6
101.36875	0.6
107.01390	17.5
119.05018	44.7
145.02934	0.9
151.00375	53.0
165.01878	2.3
169.01425	3.9
177.01938	8.4
187.04045	1.1
271.06137	100.0
282.56424	0.8
313.07492	0.7
689.70966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73433	1.7
59.01387	9.9
60.05055	1.8
68.82963	1.9
71.01384	5.3
73.02932	2.2
87.00867	3.3
93.03468	3.4
96.96026	4.1
101.02467	3.2
114.39462	2.6
115.00405	3.3
121.02960	9.9
122.03703	16.6
123.04430	2.6
128.43175	2.5
134.03746	34.4
135.04550	8.3
136.01665	34.1
137.02423	4.9
149.02467	22.0
149.06065	5.1
150.03230	100.0
151.04039	18.6
163.04048	10.0
164.04785	8.8
165.05573	71.8
168.51730	2.4
175.02519	4.7
180.04242	4.4
195.06665	24.1
207.06715	4.4
212.04727	2.4
213.05571	7.4
214.14851	2.1
215.12804	5.1
240.04228	21.0
241.05113	35.1
253.05170	3.8
255.06660	4.9
256.07410	28.9
265.05032	8.9
266.31021	2.1
267.06558	8.9
269.04556	8.0
271.06561	3.3
271.09772	50.5
281.04538	10.9
283.06238	11.2
295.06186	10.8
296.06915	8.1
297.07736	3.8
298.08478	21.8
299.09247	10.1
310.08566	4.7
311.09219	10.8
313.10919	19.2
313.14093	2.1
319.11993	3.1
320.09982	2.7
325.10779	3.5
334.67081	2.4
343.11981	12.5
355.11868	8.5
374.08008	2.9
389.10272	16.4
401.10532	5.4
404.12802	14.1
416.12784	5.1
419.15225	29.1
432.12021	3.7
447.14386	4.3
467.17224	14.4
477.15726	3.8
479.17096	17.5
497.18478	2.9
615.22552	10.9
645.23077	4.6
663.24768	9.2
693.27881	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	689.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58900	1.7
59.01390	15.6
64.50735	2.2
71.01390	10.6
73.02940	2.9
83.01431	2.9
83.05029	3.5
85.02946	2.9
89.02433	3.7
95.05016	3.3
99.00884	15.6
101.02438	3.5
105.16275	2.5
119.05025	3.8
125.09722	12.7
127.26927	2.7
137.44981	2.3
163.11250	24.4
165.12822	4.6
171.10265	49.0
181.12312	25.0
199.13422	15.9
207.10265	41.4
209.11850	100.0
225.11349	53.8
227.12831	4.4
227.43399	2.2
243.12439	18.1
250.50035	2.4
253.09239	4.4
271.06119	2.8
425.41608	3.0
479.21365	4.8
493.18549	3.6
588.69452	2.6
689.34125	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55067	0.3
53.73594	0.3
59.01384	2.1
61.98833	100.0
67.05338	0.5
81.55120	0.4
112.37827	0.4
148.51819	0.4
150.30775	0.4
163.57547	0.4
303.20151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97194	0.3
59.01374	0.4
61.98843	0.3
62.32416	0.3
65.60783	0.3
74.99078	0.3
75.25659	0.3
79.95731	2.6
94.67490	0.3
96.96005	100.0
117.03423	0.3
139.98775	0.3
153.24840	0.3
297.07852	0.6
309.91684	0.3
328.05853	0.4
353.06705	3.1
383.07806	1.7
510.18304	0.3
578.73633	0.3
593.15216	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	693.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83105	1.9
57.03456	2.1
59.01390	12.8
59.91056	1.7
61.98845	2.5
64.46427	1.9
71.01363	5.6
83.01396	3.5
85.02969	4.2
89.02451	3.6
93.03492	2.8
96.96008	100.0
96.96984	4.3
101.02470	2.3
119.05055	3.5
121.02940	10.4
122.03728	11.8
125.02480	2.4
134.03743	41.1
135.04543	8.9
136.01646	12.8
137.02501	3.2
149.02463	31.5
149.06104	12.9
150.03232	93.6
151.03979	12.4
152.04732	6.9
162.03218	2.9
164.04796	5.0
165.04286	4.2
165.05568	62.2
167.07100	10.1
177.05432	2.9
180.04298	4.3
195.06714	18.7
196.03722	2.8
225.05600	2.6
240.04341	3.1
241.05109	11.9
253.05138	5.1
256.07343	3.3
265.04974	3.0
267.06769	11.2
268.03845	2.3
269.04584	5.1
271.09723	11.1
281.04568	15.1
281.08151	3.2
283.06149	4.5
284.06882	3.3
295.05911	2.8
296.06958	4.9
297.07599	3.3
299.09201	4.3
311.09131	7.8
313.10818	2.4
348.27863	2.2
357.07587	2.4
371.09378	3.1
374.07916	12.4
386.07959	3.8
388.10233	2.1
389.10229	24.8
401.10287	12.1
403.12091	3.8
404.12659	23.8
416.12790	12.3
419.14990	36.3
431.15076	3.1
432.12222	8.9
447.14468	22.3
465.15326	2.7
467.17133	16.2
477.15234	19.5
479.17035	22.2
497.17999	4.2
507.17242	2.3
537.15948	15.5
552.17944	8.0
567.20337	12.0
615.21497	3.1
627.22076	3.2
645.23260	12.7
657.23578	2.6
675.23956	3.3
693.25726	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	685.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55530	2.9
99.92582	100.0
100.93378	5.0
115.92081	97.5
116.92865	90.0
124.56307	3.6
208.28369	3.8
264.55939	3.3
389.10806	6.3
392.03296	3.9
403.08609	7.1
542.41833	3.7
549.90375	4.3
667.32281	10.7
685.34027	40.4
688.47565	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	687.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73000	0.6
56.29213	0.5
59.01387	100.0
59.19511	0.6
74.31770	0.6
74.72456	0.6
90.42593	0.6
91.34646	0.7
92.10049	1.2
95.20240	0.6
99.27321	0.6
109.90920	0.6
150.80963	0.7
170.56496	0.8
184.15779	0.7
267.19641	1.3
280.20529	0.7
285.20749	18.1
453.35071	0.9
462.33698	0.7
532.72736	0.6
535.39795	2.7
553.41119	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	689.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38860	0.9
56.26724	1.1
57.03455	1.8
58.25745	1.0
59.01384	10.9
60.42975	1.0
60.63205	1.1
63.33078	1.1
71.01381	66.2
73.02961	2.0
73.06334	1.2
75.31844	1.0
75.57771	1.0
77.11330	1.1
80.02694	1.9
81.03454	4.7
83.01397	1.4
83.05032	9.0
85.02979	1.9
89.02461	2.3
93.03455	1.3
97.02962	1.7
101.02428	2.6
109.06574	9.2
113.02448	2.6
125.09723	2.7
127.11253	1.5
135.08176	2.5
142.02733	1.5
151.00409	2.0
153.41968	1.5
155.87157	1.2
163.11308	13.5
163.29507	1.2
165.12811	1.9
170.31934	1.3
171.10272	23.5
181.12354	5.3
183.10213	1.7
185.11844	1.7
201.11327	6.0
207.10291	26.7
209.11859	100.0
210.12299	1.5
211.13504	11.2
225.11339	23.5
227.12961	6.4
235.83011	1.1
245.86615	1.2
253.09274	9.3
287.12744	1.3
399.21851	1.3
461.20340	6.6
671.32275	1.9
688.62439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92915	15.2
56.08362	13.5
56.73565	12.5
59.01368	17.1
71.01374	17.9
71.71598	13.2
73.79236	13.3
92.65948	14.9
96.22614	14.5
105.44812	19.4
126.38201	15.9
180.72499	16.6
251.20174	25.8
397.13461	100.0
685.32068	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97552	4.6
59.01382	33.9
59.63150	5.5
71.01376	11.0
89.02437	12.3
89.54598	6.1
95.01480	5.5
101.02450	11.4
251.20169	70.8
341.75272	5.7
343.06985	7.7
349.84918	6.6
397.13562	100.0
411.07968	5.2
415.14624	29.5
649.34399	7.4
685.32245	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11395	1.0
56.26014	1.1
57.03448	1.7
59.01380	5.6
61.98833	4.8
62.22731	1.3
71.01381	2.4
71.41555	1.2
84.01039	1.1
84.20940	1.1
85.02965	1.2
89.02481	1.5
97.06577	13.4
99.00919	1.6
101.02423	2.4
113.02483	1.7
122.42220	1.2
123.08163	5.2
125.09712	100.0
127.94707	1.2
130.51595	1.1
145.90883	1.3
148.70049	1.1
153.47803	1.2
162.29649	1.2
187.09766	60.7
212.52058	1.4
252.82089	1.2
253.09364	1.6
277.21780	16.3
284.23889	1.4
405.17575	2.1
420.19278	1.2
423.18884	7.0
508.74731	1.4
683.40271	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	3.1
59.01394	6.3
59.85181	1.3
61.98842	1.6
62.47060	1.4
71.01402	2.1
75.53074	1.6
77.56683	1.4
85.02954	1.9
89.02468	1.5
92.10825	2.4
94.01108	1.5
97.06564	17.2
101.02454	5.9
123.08164	11.5
125.09719	100.0
156.47604	1.6
169.08675	2.6
187.09775	37.5
206.87947	1.6
277.21753	51.2
278.22235	1.6
405.17557	2.8
423.18866	2.0
640.00531	1.6
683.29663	3.5
683.40179	96.4
684.41199	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31190	0.2
61.94359	0.2
85.02948	0.2
93.03439	0.6
108.02235	0.3
109.02955	3.9
121.02950	11.6
122.03733	12.7
123.04506	1.5
124.01704	0.5
130.67976	0.3
134.03712	0.5
135.04500	1.7
136.05295	1.1
137.02434	1.5
147.04536	4.4
148.05304	0.6
149.06111	0.5
154.02745	1.5
157.47714	0.3
161.06078	1.3
163.04088	0.3
165.05569	23.4
178.06366	0.5
179.07146	8.3
193.08804	0.3
209.08240	0.7
210.21233	0.3
223.09784	0.6
271.41409	0.3
298.12021	0.6
313.14526	1.4
315.12518	1.9
316.13077	0.3
343.15729	0.4
346.14249	10.1
361.16617	100.0
362.16946	1.3
386.39771	0.3
519.54645	0.3
523.21997	3.9
641.82147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65411	0.7
55.01887	1.5
57.03444	1.4
59.01385	22.0
59.64798	0.7
64.37584	0.7
64.96810	0.7
71.01378	14.2
72.99311	1.1
73.02953	2.0
83.01409	3.5
85.02960	7.7
87.00903	0.8
89.02464	5.3
92.10824	1.5
93.03449	0.8
95.01377	0.8
95.53783	0.8
96.96049	1.0
99.00869	1.1
101.02427	9.5
108.02169	0.9
109.02961	3.4
111.00870	1.0
113.02462	4.9
113.44095	0.9
119.03517	1.1
121.02950	10.6
122.03754	11.8
123.04519	1.4
135.04530	3.6
136.05305	3.8
137.02446	1.5
147.04515	5.9
149.06082	1.7
151.07584	1.1
154.02780	1.4
161.06137	1.3
165.05563	20.0
178.06348	0.9
179.07146	7.7
184.85103	0.8
190.24022	0.8
195.06680	9.0
209.08060	0.8
209.11836	0.9
223.09772	2.0
269.10333	5.7
286.93011	0.9
313.14352	1.0
315.12408	1.3
329.14215	1.1
341.10162	1.4
343.15439	4.0
346.14304	8.7
359.15094	1.5
360.15707	1.5
361.16614	53.7
523.21912	100.0
524.22119	1.6
559.38849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87246	8.7
59.01389	17.4
67.00772	9.2
67.74870	10.0
68.34004	10.0
89.02473	9.1
92.44149	9.9
109.38205	11.0
249.00284	10.8
249.18622	48.7
257.76550	12.3
286.45050	11.5
289.93619	12.7
397.13385	100.0
441.00244	11.3
465.78098	11.3
664.46466	13.4
683.30927	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51950	1.1
57.03453	100.0
59.01384	73.6
59.01688	2.2
63.59609	1.4
69.82500	1.4
71.01398	3.6
72.51967	1.3
75.10061	1.4
81.03485	1.6
83.01385	1.7
85.02962	2.4
99.04517	64.6
99.05169	2.5
101.02433	32.3
113.02431	10.6
119.97497	1.5
125.02450	24.0
154.94563	1.6
163.06120	88.3
205.07146	17.5
223.26401	1.5
245.10315	3.8
261.16455	1.7
307.10385	81.6
401.48434	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	683.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07907	0.5
51.21987	0.4
51.57911	0.4
55.01888	2.9
57.03455	1.1
58.00591	0.7
59.01381	25.2
61.70902	0.5
65.44170	0.4
67.24033	0.4
71.01377	15.4
72.99308	1.2
73.02574	0.8
73.02929	4.9
83.01373	3.6
84.71359	0.4
85.02956	8.1
86.00119	0.7
87.00864	2.2
89.02431	7.9
95.01402	0.9
97.14123	0.5
99.00871	1.9
101.02433	10.9
105.43414	0.5
105.68704	0.5
109.02966	0.9
111.00904	1.0
113.02452	5.4
119.03478	1.9
121.02930	6.7
123.04475	0.5
145.02925	1.2
147.04466	0.6
158.25461	0.5
159.04507	2.7
177.13559	0.6
180.07828	0.5
187.39842	0.6
223.09962	0.6
237.09258	0.5
240.04314	0.8
253.08739	1.0
255.06599	2.3
263.07196	0.6
265.08649	0.8
266.05936	0.8
267.06604	2.8
268.07394	3.7
269.08279	5.8
269.52542	0.5
270.09015	1.1
280.07474	1.1
281.08200	13.5
282.09018	6.1
283.09857	8.8
293.08276	3.5
294.09204	1.2
295.09744	5.3
296.07327	0.6
296.10657	3.1
297.11197	0.9
299.09253	6.2
300.09927	1.2
302.07907	0.8
309.11365	0.6
311.09338	5.2
312.10034	2.2
314.08005	2.4
314.11612	9.2
315.12421	5.1
326.11618	14.2
327.12411	9.2
328.09372	0.7
329.13983	16.8
340.09601	0.9
341.14014	11.7
343.11752	3.6
355.11951	6.0
369.13461	1.8
395.73495	0.6
461.14996	1.1
473.14853	4.2
476.16873	15.4
476.23145	0.8
488.16940	8.9
491.19312	100.0
492.19336	1.1
503.19296	74.8
504.19629	1.9
512.63110	0.6
521.20380	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	681.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90584	10.1
59.01399	67.9
60.58794	11.3
61.71458	10.4
70.90091	10.4
71.01382	13.8
71.51196	12.2
76.57608	10.7
79.61624	10.3
87.33741	9.8
89.02480	11.3
116.92814	22.1
119.04977	12.6
119.31979	11.6
121.02950	13.7
151.00320	16.9
181.08688	12.3
193.54460	11.6
195.26221	12.3
209.11848	100.0
227.12978	16.7
230.35619	11.5
233.56308	11.8
242.43896	13.6
257.39536	11.4
271.06268	12.3
388.30933	15.2
463.54245	11.6
681.28961	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63890	0.9
52.28471	1.0
53.65738	0.9
57.03453	2.0
59.01384	55.2
69.03429	8.1
71.01380	29.8
72.99319	1.4
73.02943	8.4
82.20796	1.0
83.01394	5.3
83.05044	1.5
85.02964	7.5
85.06551	1.2
87.00891	4.8
88.73324	1.0
89.02434	26.2
93.03444	1.2
95.01398	1.4
96.96004	1.1
97.02973	4.6
99.00907	1.9
101.02445	21.8
113.02455	12.4
119.03497	7.1
119.05117	1.3
124.13747	1.1
125.02443	6.5
141.09247	1.4
143.03545	1.5
151.00322	1.7
161.04535	6.4
167.10786	8.1
179.05609	4.1
179.14398	5.7
195.13890	18.7
205.12358	15.7
221.06564	1.3
223.13428	100.0
235.08298	6.3
238.57684	1.2
239.11882	1.5
253.09309	2.1
256.07635	1.1
263.22635	1.2
271.10117	1.1
305.08807	1.3
397.13559	57.2
402.95117	1.1
415.14655	25.6
621.27802	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78219	1.2
59.01385	100.0
67.01884	2.3
67.40316	1.3
69.74185	1.3
69.78773	1.2
71.01384	17.5
73.02957	2.6
73.85062	1.5
81.03497	2.3
85.02942	3.6
87.72349	1.4
89.02451	8.1
92.10770	3.3
95.01383	3.1
101.02448	9.9
108.02186	18.3
109.02970	6.3
111.00846	2.0
113.02439	6.1
119.03511	2.1
120.37994	1.3
121.02939	2.5
123.00886	2.7
123.04510	19.0
125.02448	2.6
133.70525	1.5
148.04001	1.7
150.03174	1.4
151.00403	14.4
152.01178	32.8
153.01990	13.7
161.04645	3.0
165.05571	2.4
166.02698	13.3
167.03494	82.9
167.04910	3.0
179.05560	2.1
181.05057	6.1
194.02161	8.5
195.02852	1.5
209.04596	60.1
269.06540	13.0
295.06180	1.6
296.05444	3.3
297.06198	6.0
311.07700	27.7
323.06158	1.6
323.09915	5.8
329.13965	2.0
371.30609	1.8
479.11853	16.9
521.12640	12.3
563.14319	2.8
623.16345	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	683.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49887	0.2
53.32863	0.2
56.32765	0.2
59.01385	0.3
71.01388	1.6
73.02964	0.5
76.17910	0.2
85.02943	0.5
89.02474	0.2
92.10907	0.4
94.32136	0.2
101.02471	0.3
109.02947	0.3
121.02943	3.5
122.03716	1.7
123.00871	1.1
123.04535	0.5
124.01646	0.6
136.01649	0.3
136.05315	1.0
137.02434	0.5
137.06024	0.3
143.05040	0.6
146.03694	0.3
147.04544	2.2
149.02443	2.1
150.03226	5.4
153.05595	0.3
158.03738	2.6
159.04520	8.1
160.05292	33.5
161.04590	1.1
161.06058	8.0
162.03200	0.4
163.03989	4.9
164.04811	6.2
173.06075	4.4
174.06880	0.3
175.07634	27.0
176.04764	0.5
177.05573	7.3
178.06352	11.2
191.07082	0.3
192.07935	2.5
193.08720	3.3
314.11578	0.9
329.13971	100.0
330.14255	1.8
359.15042	19.5
504.53091	0.3
521.20410	2.7
571.28772	0.3
573.06165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96407	0.5
61.98831	100.0
88.83305	0.5
97.42122	0.7
250.55977	0.6
261.55829	0.5
273.86893	0.5
307.19382	2.1
309.20883	2.1
313.38547	0.8
527.90887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.13042	0.6
95.05710	0.6
97.16320	0.6
109.26447	0.6
111.24780	0.7
116.92881	1.4
231.71851	0.7
291.19589	0.8
307.19104	0.8
309.20676	1.3
320.22021	0.7
693.92102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71572	0.6
54.82830	0.6
59.01391	1.2
59.87714	0.5
63.02411	3.6
65.00324	8.2
65.94526	0.6
73.00568	0.7
83.01384	4.7
93.03458	6.2
107.01394	15.9
119.05019	37.9
125.02416	0.7
133.76064	0.7
145.02950	0.8
151.00378	45.4
161.06088	0.7
165.01933	1.6
169.01471	1.6
175.00359	1.2
177.01979	5.0
203.07039	0.8
227.07245	1.2
271.06134	100.0
272.06277	0.9
681.19977	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	681.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70732	0.1
54.83406	0.2
55.01896	0.2
55.66851	0.1
57.07435	0.1
59.01390	0.2
59.41428	0.2
59.69478	0.1
65.34722	0.1
67.29687	0.2
71.01369	1.8
73.02961	0.4
84.02189	0.2
85.02959	1.1
92.10818	0.4
93.03415	0.2
95.01380	0.2
101.02448	0.9
108.02181	0.7
109.02923	0.4
113.02454	0.4
116.20151	0.2
121.02952	3.9
122.03724	3.3
123.00849	0.3
124.01651	0.2
131.87965	0.2
134.03706	1.0
135.04442	0.2
136.01654	64.1
137.02437	1.9
139.75555	0.2
151.04010	100.0
152.04306	0.7
154.02745	0.4
159.04482	0.8
160.05324	1.6
161.02431	0.4
161.04526	1.5
161.06001	0.3
162.03215	1.1
163.04008	1.2
175.03996	0.7
175.07620	1.6
176.04759	0.2
177.05539	0.8
179.03432	0.4
187.04027	0.2
189.05534	0.4
193.04962	0.3
225.75217	0.2
241.05051	0.2
243.18837	0.2
296.10593	0.2
311.12747	0.3
327.08630	0.3
342.11063	4.6
357.13474	68.9
358.13885	1.0
427.95267	0.2
462.49438	0.2
519.18976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23865	0.8
53.36075	0.7
55.01889	1.5
57.03452	85.0
58.00595	1.8
59.01381	100.0
60.62445	1.1
71.01376	46.8
72.99318	2.1
73.02940	23.1
74.85710	1.0
79.05505	1.1
81.03450	4.1
83.01382	7.5
85.02937	9.4
87.00880	1.3
89.02440	44.0
92.10204	1.1
95.01397	1.6
99.04505	36.5
101.02436	49.2
113.02444	19.7
113.06073	3.6
119.03491	17.4
123.04509	12.1
125.02440	27.4
131.03516	4.5
143.03484	3.8
149.04549	3.7
153.05606	1.4
161.04507	9.6
179.05615	19.2
216.79292	1.0
221.06699	1.7
381.97455	1.1
533.26276	4.2
544.42059	1.1
677.19019	2.1
677.30322	52.6
686.49933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37961	0.3
60.91498	0.3
61.98821	0.7
71.01381	5.6
82.68719	0.3
83.85242	0.4
96.31055	0.4
127.07644	0.7
127.08553	0.3
164.08488	0.8
177.09239	3.4
192.11580	6.6
205.12277	3.1
207.13976	0.9
218.09520	2.1
220.14711	47.3
221.15494	100.0
222.15868	1.7
235.13419	0.6
236.10565	64.2
237.11038	1.7
245.73697	0.4
293.17621	38.5
294.17883	0.6
379.83521	0.4
425.47824	0.4
652.14984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	5.5
59.01389	7.4
59.30651	1.3
60.59445	1.5
63.52606	1.3
63.79946	1.2
69.73032	1.3
71.01396	1.9
73.14474	1.4
76.57681	1.6
81.03468	9.2
83.05024	28.9
89.02460	3.3
89.76421	1.6
97.89737	1.5
99.04571	1.8
101.02434	2.5
113.02467	2.2
128.03580	1.7
136.13826	1.5
224.17700	5.6
225.16112	19.5
237.01564	1.6
306.07816	2.0
341.29233	1.8
427.18219	1.7
447.45984	1.5
451.33142	3.1
677.49786	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	679.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27686	2.0
54.43225	2.0
55.64835	2.4
59.01381	48.1
62.38846	2.2
71.01383	23.9
73.02954	5.6
83.01391	3.7
85.02969	2.5
85.58573	2.6
87.00892	4.6
89.02448	17.4
93.03515	2.2
101.02448	19.3
113.02436	10.2
116.08137	2.9
116.92905	17.4
119.03514	3.1
119.04991	3.2
125.02449	4.1
130.69328	2.6
137.09692	3.7
139.11298	3.4
141.09236	3.1
151.04034	3.2
160.01511	2.7
161.04597	4.1
165.12848	13.2
167.10791	3.6
179.05661	3.8
183.10312	5.2
219.17578	10.3
237.75809	2.6
263.16571	39.4
281.17615	100.0
397.13626	22.3
415.14703	19.8
679.31549	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	677.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62673	1.6
55.01888	3.4
58.02968	8.0
59.01379	13.5
71.01392	4.6
72.04591	2.3
80.05094	2.0
82.02987	2.7
83.01398	3.6
84.04560	10.8
87.05630	12.1
88.04030	25.1
89.02442	3.3
96.04549	2.7
96.96035	3.7
98.02484	3.6
98.06069	2.1
99.00890	2.2
100.04038	53.9
101.02464	4.5
102.05599	43.9
112.04036	7.7
113.07204	3.3
114.05561	3.0
114.98487	1.9
116.07171	9.8
124.04023	34.1
128.03535	96.9
129.10347	30.4
131.29143	2.1
138.05595	3.6
140.03484	1.8
141.06738	4.0
142.05077	22.1
146.04613	17.6
154.05173	3.0
160.06152	28.9
166.05080	4.0
181.36232	1.8
184.06187	6.6
185.09387	2.4
187.48543	1.9
201.12584	2.3
202.07202	19.7
235.57796	2.1
245.11440	8.5
274.09268	2.9
307.58691	2.0
345.13101	16.5
345.16733	2.1
385.36240	2.0
530.59985	2.2
548.21069	63.4
553.73523	1.9
600.94464	2.2
677.25348	100.0
678.25104	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	677.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03450	78.8
58.00602	1.1
59.01379	100.0
62.90813	0.9
65.00348	1.1
68.97943	0.8
69.02312	0.8
71.01373	47.5
72.99277	1.4
73.02940	31.0
79.05540	1.0
81.03455	3.9
83.01375	12.9
83.01740	0.8
84.02516	0.9
85.02946	12.1
87.00861	1.4
89.02435	46.3
93.03438	3.4
95.01385	5.6
95.04984	1.4
97.06600	1.6
99.04512	36.2
101.02432	50.8
101.03088	1.8
107.01399	3.8
109.06579	1.4
113.02444	28.0
113.06083	4.4
119.03491	16.7
119.04998	15.7
123.04510	12.2
125.02437	25.2
125.03326	1.7
131.03479	1.9
138.54956	0.9
141.05531	1.8
143.03493	5.5
149.04546	2.3
151.00357	19.7
155.87703	1.0
161.04550	7.2
163.11391	0.9
165.01892	1.0
171.10303	7.6
176.48279	0.9
177.02000	1.3
179.05609	18.7
191.14445	2.1
207.10309	1.2
221.06596	1.7
225.11328	4.3
242.98828	0.9
271.06131	56.5
406.35013	1.0
425.86993	0.9
433.11484	3.5
515.25208	4.1
533.26129	22.7
575.26917	3.8
677.30359	57.9
678.30768	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	677.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
74.21271	0.8
74.76043	0.9
93.03477	1.7
96.96005	20.2
108.02207	1.6
119.05030	1.0
120.38725	0.8
121.02949	12.4
122.03723	11.6
123.04510	1.2
124.01831	1.0
130.08705	1.2
133.02968	4.0
134.03748	35.3
135.04533	7.5
136.01663	53.0
137.02455	8.1
149.02469	25.2
149.06076	17.2
150.03244	77.0
151.04031	49.0
152.04764	4.0
160.94115	0.9
164.04794	4.3
165.05585	63.7
167.07222	1.1
177.91695	0.9
180.04332	4.3
195.04762	1.3
195.06647	25.5
197.06085	1.5
202.39914	0.9
209.06219	1.0
212.04646	1.6
213.05620	17.9
223.03993	2.2
224.04800	4.8
225.05521	1.5
236.04741	1.8
237.05760	0.9
239.07272	3.7
240.04285	1.6
241.05095	94.2
242.05780	2.0
252.04269	4.8
253.05099	4.8
255.06616	5.1
256.07455	64.4
267.06656	1.2
269.04587	1.3
271.09790	100.0
272.10269	1.0
284.06897	5.1
285.07703	12.5
299.09302	10.9
319.11969	18.8
373.12967	1.4
382.76566	1.0
419.15228	1.5
467.17178	48.1
515.19287	53.2
526.06500	1.0
674.00476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.9
59.01400	15.0
71.01401	13.6
73.02966	2.6
74.18734	3.0
74.75703	3.2
83.01389	4.3
87.00932	6.4
89.62083	2.7
96.96029	17.2
98.16625	2.8
98.95603	15.6
99.00913	13.8
99.04519	3.6
99.67823	3.1
100.01703	3.4
101.02468	4.7
101.34962	3.3
109.03026	3.2
111.00912	19.4
113.99586	80.5
115.00404	12.4
116.17817	3.2
119.05045	6.1
120.01269	3.7
121.02991	3.1
125.02424	5.1
135.04549	5.6
145.58791	2.6
156.00688	54.1
163.04002	3.2
174.01704	100.0
201.11487	5.3
209.11801	4.0
276.55252	3.5
277.09128	3.4
294.09058	3.6
295.35953	3.4
303.08887	4.2
304.01523	3.5
310.12027	3.8
311.13013	4.7
393.13660	4.3
455.14029	3.6
515.19006	3.5
577.19141	6.7
617.18994	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.3
57.03466	1.0
58.00587	0.9
59.01382	61.2
61.98830	3.3
62.98471	0.5
68.25124	0.5
69.03452	3.0
71.01379	39.0
71.01778	1.3
71.99449	0.6
72.99307	3.0
73.02941	5.9
75.80428	0.5
76.57497	0.6
81.03484	1.1
83.01382	5.5
85.02945	11.0
87.00868	7.0
89.02436	32.3
95.01378	2.9
97.02943	6.6
97.80737	0.5
99.00887	0.8
101.02436	27.5
111.04427	0.8
113.02438	13.4
115.04023	0.7
119.03498	7.8
125.02432	12.0
127.07685	0.7
131.03465	1.1
133.05200	0.7
143.03490	3.9
147.37280	0.6
148.46872	0.6
161.04575	4.7
175.34373	0.7
179.05618	3.2
188.34624	0.5
209.82855	0.6
217.07248	0.6
221.06667	3.0
235.08241	10.8
245.06784	0.7
253.09274	2.4
263.07666	0.8
277.21753	100.0
278.22009	1.3
287.07889	0.9
305.08780	3.5
329.33905	0.6
397.13541	63.4
415.09525	1.1
415.14630	22.6
470.85123	0.6
554.94641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43344	1.2
56.43824	1.1
60.08800	1.2
63.02404	6.5
65.00336	8.4
65.66110	1.4
68.27969	1.3
71.48331	1.3
83.01407	8.5
91.73087	1.2
93.03447	11.5
107.01407	18.7
118.23115	1.3
119.04156	2.0
119.05022	49.6
130.78023	1.5
151.00385	56.7
164.41924	1.2
165.01913	2.5
169.01413	2.2
177.01941	7.0
187.03986	1.5
201.96802	1.3
219.83138	1.6
263.53351	1.7
271.06146	100.0
286.54712	1.5
288.39075	1.4
307.57904	1.5
549.82965	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	675.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
79.30724	9.9
129.95732	12.1
134.28331	11.9
257.50168	11.8
293.54431	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	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22898	1.1
55.01893	2.2
55.76328	0.8
57.03467	1.6
58.00611	0.9
59.01386	64.5
61.98839	4.8
63.33479	1.0
69.03445	3.3
71.01383	41.4
71.01777	1.5
71.67719	1.0
72.99323	2.2
73.02948	7.6
74.88709	1.0
83.01413	2.0
85.02968	8.7
87.00881	9.0
89.02438	32.3
92.30795	1.1
95.01402	3.8
97.02965	6.1
101.02441	29.4
101.38692	1.1
113.02457	14.5
115.03939	1.2
119.03512	8.4
121.02991	1.2
125.02438	10.3
127.04049	1.2
131.74171	1.0
139.03969	1.3
143.03505	1.7
161.04565	6.0
165.58519	1.1
169.05055	1.2
177.86972	1.1
179.05589	4.5
185.04637	1.3
205.26271	1.1
221.06699	1.8
235.08202	10.6
253.09308	2.1
259.20569	1.3
259.71765	1.1
277.21744	100.0
305.08847	1.4
397.13565	64.6
415.14713	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	675.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82845	0.2
54.92729	0.1
59.01397	1.1
63.30925	0.2
63.82010	0.2
72.99288	0.2
79.95739	1.9
92.10810	0.4
96.96005	100.0
101.15449	0.2
115.00375	0.2
117.03441	0.4
123.25225	0.2
159.68704	0.2
175.00407	0.3
197.48740	0.2
203.08136	0.2
293.04587	7.5
311.05698	0.4
413.08939	0.8
468.86258	0.2
577.15820	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91899	6.4
52.32403	5.1
55.62808	5.4
58.00618	7.1
59.01395	29.6
61.98848	5.6
69.00397	5.2
79.15200	5.6
82.45528	5.4
83.01409	5.8
84.97556	6.3
97.46056	5.6
109.02970	8.3
109.48419	5.8
134.03749	100.0
135.04489	9.0
136.01659	8.2
137.02478	10.9
141.76491	6.7
149.02391	7.0
149.06093	30.0
150.03261	9.0
150.73149	7.4
151.00316	7.4
151.03961	9.2
175.02278	6.3
209.11821	9.1
213.05600	7.8
225.05386	7.3
233.13374	7.1
240.04260	10.2
251.03392	9.6
253.04999	11.5
255.06567	9.0
265.04990	6.8
267.06638	8.6
269.98312	6.9
271.06241	22.1
285.07632	9.6
295.06235	7.8
303.13489	9.7
386.07709	10.0
389.10464	7.3
401.10571	10.4
405.13184	6.6
416.12637	14.9
419.15289	12.9
429.09958	10.0
431.14832	30.1
441.09906	8.3
444.11917	12.4
449.16333	27.3
459.14758	8.1
467.17108	7.7
471.14331	35.8
479.17114	23.7
497.18335	97.2
522.12878	9.3
537.15619	27.6
549.15363	40.6
552.18091	28.1
564.17950	33.7
567.20044	62.7
579.20313	81.0
609.21429	14.2
615.22443	30.8
627.22620	98.1
639.21973	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	673.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72616	1.3
59.01388	25.7
60.19618	1.4
64.72362	1.3
71.01398	8.3
72.25632	1.5
83.01414	1.7
85.02933	1.8
89.02486	2.4
93.03436	1.6
96.96013	2.8
101.02446	3.5
117.33009	1.8
121.02969	13.7
122.03753	6.8
125.02436	1.8
132.02219	2.5
136.01714	1.7
147.04520	1.8
149.02434	24.2
150.03236	76.6
151.03990	2.1
161.04601	2.3
162.03273	2.9
164.04805	1.8
165.05583	100.0
166.06358	66.9
177.05534	2.7
181.08707	29.9
195.06616	15.0
201.82214	1.5
279.12494	6.8
314.11615	10.0
329.14038	24.4
377.16122	6.0
431.15579	23.8
468.45798	1.8
593.25507	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	673.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04905	1.0
54.82970	0.9
59.01395	7.4
61.59477	1.1
71.01402	2.9
83.05046	5.7
85.01891	1.4
89.02496	1.6
95.05041	1.4
101.02464	1.5
113.02432	1.3
117.07272	1.2
128.03546	1.8
137.18777	1.4
163.11272	2.9
165.12851	2.1
171.10242	1.6
209.11861	100.0
211.13332	1.7
227.12941	10.6
251.77475	1.2
253.09225	4.0
257.64322	1.3
272.08951	1.4
297.74289	1.3
350.65668	1.4
396.28931	1.6
673.32397	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	672.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	16.4
59.01363	0.8
61.98831	1.1
66.03482	1.1
70.02972	1.0
71.01378	1.1
72.00887	1.3
72.97518	7.0
74.00706	1.0
74.02466	28.8
79.73814	0.6
81.04581	3.1
82.02986	5.8
84.04539	1.0
86.02477	13.1
86.06113	4.1
87.05638	6.3
96.04533	1.0
97.04056	4.7
99.05634	30.4
100.00401	4.0
101.07195	7.2
102.05609	4.9
107.06163	0.9
109.04041	6.8
109.07694	2.8
111.05634	4.2
112.04044	4.1
114.54174	0.7
123.05639	4.6
124.04011	1.5
125.03556	4.0
127.05114	4.0
128.03534	77.5
135.05627	9.4
137.06171	0.7
137.07217	2.9
141.06702	3.4
143.04623	100.0
145.06192	5.1
146.04626	8.3
149.07268	1.1
153.06705	6.5
155.08258	1.1
165.12788	1.1
166.09854	5.4
167.04633	5.4
167.08257	7.9
169.06097	0.8
170.03346	1.6
171.04140	1.3
175.01828	0.7
179.04626	20.5
181.06229	2.7
184.10843	1.1
185.05663	1.2
192.07770	1.6
197.05672	2.7
209.11835	8.8
210.08852	18.8
223.13467	0.9
228.09872	1.1
254.07832	37.3
256.11380	3.1
257.12390	0.8
272.08896	70.5
273.09195	0.9
291.19669	4.8
293.21207	0.8
325.18378	6.8
330.15118	3.7
399.22479	2.1
543.27545	3.4
654.31061	6.7
672.31775	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00504	0.4
61.98834	100.0
67.55975	0.4
81.44412	0.3
82.24995	0.5
84.49309	0.3
101.48602	0.5
115.66240	0.4
168.18721	0.5
171.10457	0.5
331.28021	0.4
354.19186	0.4
401.42029	0.4
592.27570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72616	1.3
59.01388	25.7
60.19618	1.4
64.72362	1.3
71.01398	8.3
72.25632	1.5
83.01414	1.7
85.02933	1.8
89.02486	2.4
93.03436	1.6
96.96013	2.8
101.02446	3.5
117.33009	1.8
121.02969	13.7
122.03753	6.8
125.02436	1.8
132.02219	2.5
136.01714	1.7
147.04520	1.8
149.02434	24.2
150.03236	76.6
151.03990	2.1
161.04601	2.3
162.03273	2.9
164.04805	1.8
165.05583	100.0
166.06358	66.9
177.05534	2.7
181.08707	29.9
195.06616	15.0
201.82214	1.5
279.12494	6.8
314.11615	10.0
329.14038	24.4
377.16122	6.0
431.15579	23.8
468.45798	1.8
593.25507	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	671.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28561	2.5
59.01401	14.3
60.95420	2.5
71.01395	4.3
72.99320	4.8
82.02998	5.4
83.01424	2.9
85.28503	2.7
87.00906	5.9
87.46409	2.9
90.21629	2.5
90.90535	2.7
96.96033	4.6
96.99580	2.8
112.04028	3.3
114.39641	2.9
115.00385	15.4
119.04989	3.8
120.04588	3.8
129.05574	4.2
136.07693	6.0
148.04057	48.9
149.04843	3.5
150.05626	40.2
154.05237	3.6
160.04060	12.4
161.04817	85.3
164.03551	4.0
173.03610	12.1
174.04330	13.6
174.05663	4.3
175.02518	16.0
175.05138	84.3
175.06461	4.1
187.06494	3.7
189.06754	5.1
190.07465	18.6
191.08305	12.7
201.07904	4.5
202.08768	13.6
203.04671	16.7
215.05849	3.2
216.06813	9.7
228.06606	4.1
231.07768	10.3
232.08565	23.0
233.09346	39.2
241.17065	3.2
244.09856	100.0
245.09355	6.6
257.59464	3.0
280.50238	3.3
287.10355	11.6
287.13898	4.3
288.08722	4.9
305.11469	17.6
338.11545	6.1
344.89001	3.1
370.17917	5.3
468.17862	69.4
470.19495	6.4
472.20920	12.2
514.71521	3.6
605.26501	22.2
633.26227	5.2
635.27393	42.3
671.27222	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	671.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49407	1.3
55.91557	1.1
59.01395	10.2
61.98824	1.7
64.34693	1.3
69.21090	1.4
71.01393	7.3
71.17485	1.3
72.37602	1.5
74.23749	1.4
82.03008	7.2
87.00892	1.9
89.02458	2.1
96.04581	1.9
96.95998	1.9
101.02434	2.8
112.04055	2.1
115.00356	2.5
120.04573	3.3
121.06606	2.3
129.05597	3.1
136.07655	6.3
137.02443	1.5
138.09195	6.3
146.06088	1.6
148.04062	44.0
149.04796	1.6
150.05605	36.3
154.05099	2.0
157.06699	1.7
160.04015	13.2
161.04832	100.0
162.05611	7.3
164.03511	3.2
173.03552	3.7
173.04880	3.2
173.06136	2.1
174.04317	14.3
174.05611	4.7
175.02502	6.8
175.05127	86.0
175.06358	4.7
176.05861	7.5
183.14029	1.7
186.05560	1.9
187.06346	2.0
188.07245	3.1
189.06740	9.2
190.07478	20.5
190.17978	1.6
191.08273	11.0
193.21236	1.7
200.07088	1.8
201.07787	2.9
201.09366	2.3
202.08902	15.7
203.04636	24.0
213.14964	17.8
216.06776	12.2
226.08669	1.9
228.06683	1.6
231.07721	2.9
232.08591	15.7
233.09319	47.2
241.09966	2.0
244.09828	96.0
245.09248	11.1
263.10626	2.1
273.39844	1.6
286.09805	3.0
287.10370	6.5
287.14114	1.6
288.08655	10.6
295.10913	3.2
305.11539	15.1
306.80640	1.5
312.13687	2.5
338.11603	8.9
339.12100	1.9
370.17908	3.4
397.13379	3.4
420.13000	1.7
422.42386	1.5
442.19745	6.1
468.17828	79.5
469.11966	1.6
472.21021	14.6
543.25854	1.6
605.26440	18.4
635.27362	33.8
635.91034	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	669.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03453	1.7
59.01386	28.9
64.34368	0.4
68.31651	0.4
69.03468	0.8
71.01383	14.3
72.99315	1.1
73.02933	3.3
75.11375	0.4
78.70129	0.4
81.03419	0.6
83.01401	2.4
85.02943	3.9
87.00879	3.0
89.02439	15.6
95.01376	1.0
97.02947	3.4
99.00896	0.7
101.02435	13.4
102.07449	0.4
113.02451	6.3
116.24241	0.4
119.00041	0.4
119.03492	3.7
125.02440	6.0
143.03500	2.3
161.04573	2.6
167.14417	0.7
171.67270	0.5
179.05614	1.9
183.13901	10.3
186.25974	0.5
193.12360	2.8
211.13425	100.0
221.06679	0.8
235.08260	4.5
245.06557	0.5
253.09378	0.9
305.08841	0.7
323.09796	0.4
397.13577	43.5
415.14658	18.0
415.20190	0.6
609.27802	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	669.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.1
59.01382	29.6
61.14745	0.7
61.98834	5.4
63.91259	0.6
63.98395	0.7
68.10155	1.0
69.03470	1.1
70.44978	0.8
71.01372	21.3
73.02959	5.1
75.03593	0.7
76.57675	0.9
79.56478	0.7
83.01394	1.5
85.02962	3.9
87.00890	3.5
89.02440	18.9
96.96029	1.0
97.02950	1.8
97.05187	0.7
99.00904	1.2
100.51985	0.7
101.02446	14.9
113.02435	8.5
119.03516	5.7
123.04520	0.9
125.02442	5.0
143.03531	1.6
143.95917	0.8
161.04573	1.6
171.65315	0.8
179.05588	1.8
183.13890	9.7
193.12303	1.2
211.13412	100.0
235.08195	5.0
253.09343	1.5
305.08832	1.1
343.68292	0.9
397.13550	48.3
415.14642	17.7
609.27991	11.4
676.58691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	47.0
61.98872	4.2
63.05301	2.7
64.34791	3.3
77.55936	3.7
82.19699	3.2
83.05052	5.4
92.59616	2.9
100.10612	3.1
108.21215	3.9
146.15443	3.3
146.24669	3.5
171.10284	6.1
185.11961	4.7
209.11870	100.0
227.12920	8.1
239.37019	3.6
289.18167	4.1
307.19281	17.1
325.20239	5.5
622.66254	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02411	1.0
57.03448	1.5
59.01380	8.2
63.12164	1.2
70.48402	1.2
75.36131	1.3
81.21115	1.2
82.02979	6.2
91.62016	1.3
100.34770	1.6
101.02462	1.9
101.20583	1.5
108.79775	1.6
112.04019	2.3
114.93316	1.7
116.92883	1.8
120.04574	5.6
121.06616	1.7
122.06093	1.4
122.14886	1.3
129.05551	7.4
136.07683	8.0
138.09285	2.5
147.04498	1.4
148.04056	49.3
149.04900	1.9
150.05605	32.1
157.81557	1.9
160.04024	15.4
161.04823	100.0
162.05663	9.6
163.02625	1.5
164.03511	5.3
173.03491	5.7
173.04839	2.2
174.04338	13.3
174.05640	2.6
175.05125	89.0
175.06352	4.5
176.05872	5.8
177.06721	1.8
186.05679	2.6
186.72417	1.4
187.06407	1.9
188.07118	2.6
189.06706	5.5
190.07457	20.1
191.08270	7.4
200.07271	1.9
201.07782	2.1
201.09427	1.9
202.07144	1.5
202.08882	17.3
203.04655	21.7
203.08362	2.0
204.06554	1.7
215.08217	2.1
216.06671	10.2
216.10391	1.6
226.08751	1.8
229.07484	3.3
232.08591	15.5
233.09320	44.0
241.09734	1.8
244.09846	96.9
245.09309	9.2
263.10306	3.3
286.09555	6.7
287.10434	7.7
288.08817	10.7
305.11438	17.9
312.13583	2.3
338.11542	7.3
339.12170	1.8
348.16687	1.4
370.17773	2.2
442.19839	2.2
454.20065	1.8
468.17773	77.6
472.21201	13.3
500.09818	1.5
605.26215	22.8
633.25311	1.9
635.27368	46.4
703.35834	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	667.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
60.99308	21.6
64.89628	0.5
70.31081	0.5
71.01408	1.4
73.02941	0.5
85.02969	0.6
88.98801	100.0
89.02435	1.0
92.10720	0.7
96.96008	0.6
98.41354	0.6
117.03466	7.6
119.05049	0.7
135.03030	0.6
173.02423	3.9
175.00406	6.3
269.04691	1.4
281.04587	2.4
283.06345	4.6
293.04593	85.1
294.05081	1.3
311.05661	9.0
312.65445	0.8
323.05380	0.7
413.08820	13.5
577.15704	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72839	64.5
61.98843	91.4
71.07362	84.3
76.05539	85.5
87.60729	76.5
144.77647	90.3
191.06099	89.0
218.63264	88.6
282.38730	87.8
316.58975	100.0
326.06082	89.4
549.70673	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95657	0.6
61.98831	100.0
89.65940	0.7
160.66457	0.7
187.43660	0.8
231.64542	0.6
233.76237	0.8
259.40143	0.8
314.73972	0.6
376.17548	0.7
419.16605	0.7
495.97443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09997	0.6
56.05626	0.6
60.03989	0.7
61.98830	100.0
63.50423	0.6
91.34409	0.6
104.95905	0.7
122.85710	0.7
156.37216	0.6
195.02452	0.7
267.83310	0.7
317.81293	0.8
453.98508	0.8
614.48700	0.7
637.81708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36277	2.1
56.44493	2.4
57.03454	100.0
59.01385	51.8
61.98836	3.2
62.13625	2.7
63.82306	2.4
71.01379	25.2
73.02957	3.0
76.57307	2.6
83.01398	6.0
83.51627	2.7
85.02954	12.4
87.00869	3.8
88.50777	2.8
89.02455	15.5
99.04516	20.9
101.02441	22.8
113.02451	12.8
119.05095	4.3
121.02924	11.9
121.10957	2.8
125.02429	17.6
161.06042	3.4
171.12637	3.3
269.08081	5.8
270.08829	2.7
281.08206	20.0
282.08942	3.6
283.09604	10.4
299.09247	3.5
300.10034	3.3
308.04810	3.0
314.11658	11.6
315.12436	13.0
326.11520	12.8
327.12509	4.2
329.13797	16.4
341.14108	5.9
355.11768	4.5
371.17096	16.1
397.25742	3.1
411.04041	3.2
458.15958	6.1
470.16324	3.4
473.18460	21.1
476.16776	16.6
485.18076	15.9
488.17053	3.2
491.19333	81.6
503.19376	61.9
508.19415	23.6
521.20178	18.3
533.20117	16.3
545.20520	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	662.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.52818	0.4
65.83014	0.4
69.10514	0.4
69.15858	0.5
78.95910	0.8
88.91406	0.5
92.09988	0.5
128.50082	0.6
134.43542	0.5
203.21176	0.6
246.09210	0.5
277.99265	0.6
325.14432	0.6
473.96475	0.5
498.96198	0.6
671.36340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44561	3.0
56.15820	3.2
59.01395	18.0
64.35232	3.7
65.99866	5.3
71.01369	4.4
83.01397	3.7
101.02477	4.3
108.04601	8.1
111.10029	3.7
116.92922	5.6
119.05003	5.1
122.06133	23.2
124.04086	3.4
125.02510	4.8
126.05630	7.1
136.01694	3.7
136.07678	9.2
146.06161	4.2
150.05634	4.0
150.09303	7.4
151.00467	4.0
161.07217	5.0
162.05626	7.9
174.05595	20.0
176.03433	4.8
176.07124	5.2
178.05128	5.8
190.05087	3.9
201.06697	14.3
209.11943	8.8
213.06786	7.8
215.04742	3.8
215.11829	7.0
225.06796	4.8
227.08273	5.8
231.07756	4.2
239.11925	6.1
240.08942	6.0
241.09787	13.6
242.10606	5.7
253.06009	4.3
254.07019	6.1
255.07558	5.1
255.11375	7.2
257.13016	8.3
259.14468	8.0
265.09851	13.2
267.07724	19.7
267.11450	5.8
268.08572	14.8
269.09280	20.8
271.06906	5.9
271.11002	4.3
283.10837	41.3
285.09045	5.5
285.12546	4.3
292.08487	4.8
293.09390	27.5
295.07358	6.3
296.08051	29.4
299.10507	6.6
301.11923	4.8
309.08844	24.5
309.12222	5.0
311.10455	54.7
320.11664	4.7
327.09702	8.1
329.11356	6.0
386.11203	6.3
387.12082	21.3
398.21603	4.0
416.19724	17.9
432.15454	35.0
442.17563	29.5
501.18677	25.6
526.18378	100.0
536.20648	16.8
551.22577	5.0
569.16132	3.8
569.23895	33.1
619.28265	4.9
645.25525	16.9
663.26898	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	12.7
59.64323	3.9
70.84160	4.2
71.01385	5.7
71.25912	4.1
96.95979	6.5
106.06610	8.6
108.04547	9.2
109.02940	10.3
116.19482	4.9
122.06112	26.1
126.05588	7.1
135.04561	6.1
136.07642	10.7
138.05579	9.1
146.06152	7.8
150.05664	5.3
150.09192	8.1
154.48357	5.4
160.04015	10.8
162.05641	19.1
174.05577	25.3
176.07076	8.2
178.05042	10.5
201.06696	37.0
213.06552	7.6
215.08041	6.2
224.09535	6.4
225.06703	12.9
225.10283	9.4
227.08238	19.9
229.06177	5.9
239.11923	9.0
240.09003	11.3
241.09912	20.8
243.07677	13.0
243.11264	7.9
251.08327	5.9
253.06142	10.1
253.09943	6.0
255.11417	11.9
257.09326	6.3
257.12912	28.6
259.14621	7.3
265.09729	21.4
267.07767	31.9
267.11301	7.1
268.08585	24.1
269.09363	47.8
271.07376	7.5
271.10754	10.2
273.09097	6.8
278.07056	8.3
281.05786	6.6
281.09073	7.7
281.94257	6.0
283.10852	59.2
286.09521	6.8
293.09415	52.0
294.06497	6.3
295.07251	25.9
296.08194	44.1
301.11920	21.7
309.08926	38.8
310.09784	7.0
311.10428	100.0
327.09778	9.4
329.11435	7.4
343.12970	26.0
361.14105	22.4
380.16391	8.0
386.11331	12.2
387.12143	49.4
432.15781	11.8
442.17908	24.0
501.18707	20.8
526.18262	44.8
569.24304	53.2
587.25342	6.4
601.26373	8.4
613.22919	21.0
619.27618	32.9
645.25879	39.0
663.26758	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41333	0.7
59.01384	100.0
60.99539	0.6
61.28048	0.7
86.74485	0.7
103.69529	0.6
108.91871	0.8
110.36645	0.8
132.99414	0.7
133.38586	0.7
141.01703	47.1
157.78891	0.7
278.92834	0.7
281.24899	7.4
306.35428	0.8
315.98840	0.8
345.77551	0.8
478.48911	0.8
506.32449	1.8
522.05615	0.8
686.34949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85172	3.2
59.01382	39.5
59.90814	4.1
61.98842	4.8
70.02404	3.9
71.01374	46.4
72.51733	3.6
73.02948	7.3
78.90623	3.6
82.66504	4.0
83.01399	5.5
85.02975	18.1
87.00880	43.1
89.02437	28.6
91.38238	4.0
101.02474	31.9
107.05000	4.9
113.02484	30.1
120.93306	4.2
129.80200	4.3
161.04559	6.4
179.05611	8.7
277.21725	100.0
291.23309	25.0
319.22763	8.3
323.10046	18.8
341.10962	38.8
601.32477	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	661.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04091	1.0
54.41100	0.9
55.01884	1.7
58.00616	1.0
58.67276	0.9
59.01383	69.3
61.98825	1.8
68.74799	1.0
69.03464	1.2
69.89999	1.2
71.01376	40.3
72.99316	1.7
73.02953	1.0
81.09557	1.2
83.01404	2.7
85.02945	8.3
87.00893	7.8
89.02438	49.4
95.01421	2.3
101.02434	25.9
107.65026	1.2
113.02441	22.9
117.82410	1.3
119.03503	18.1
131.03609	1.4
143.03499	4.5
152.99503	1.3
161.04556	7.2
172.13542	1.4
179.05611	15.9
216.30066	1.3
277.21744	100.0
291.23318	2.6
301.21643	1.4
323.09824	21.5
341.10922	37.1
345.91022	1.5
601.32312	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	659.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.2
67.32980	1.7
68.99579	3.1
72.36103	1.9
74.03026	1.6
77.92506	1.7
80.01984	1.8
113.35957	1.7
119.05040	1.8
121.79017	1.9
134.06059	4.1
134.34386	1.8
148.07671	3.5
161.04781	3.5
169.12285	3.8
183.21645	2.1
186.12827	3.1
201.10234	2.3
209.11888	3.4
213.06689	3.1
213.10236	2.8
213.26544	2.3
227.08237	8.7
227.11865	11.4
228.09302	2.5
229.09801	4.6
229.13438	11.9
241.09818	13.2
253.09865	19.7
255.07907	3.3
255.11342	9.9
256.12152	3.9
257.09229	7.5
257.12979	7.4
267.11365	3.6
268.12146	12.0
269.12930	9.2
271.11041	2.9
271.14462	4.5
273.08786	3.3
283.11002	7.5
285.12399	8.1
293.09229	2.9
297.08511	3.4
315.09879	7.9
343.12921	2.6
389.13693	2.5
445.11395	2.6
452.18820	2.4
482.15842	4.3
511.19708	16.2
597.24182	3.0
629.26086	4.0
659.27185	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	659.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.32790	0.6
68.69940	0.6
78.95906	1.4
102.81615	0.8
115.84708	0.8
152.99570	1.1
177.63957	0.7
279.23312	0.8
392.46329	0.8
453.59970	0.8
606.79303	0.8
664.31091	0.9
664.42688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82930	0.8
59.01381	100.0
61.98836	0.7
78.95914	0.7
84.35841	0.6
90.87695	0.8
94.71175	0.7
141.01707	40.0
174.77693	0.7
191.20901	0.7
207.26961	0.7
211.61684	0.8
279.23294	5.5
288.10809	0.7
301.62598	0.7
428.51434	0.7
504.31052	3.2
549.89825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53489	0.5
54.64705	0.5
58.87703	0.6
59.01395	1.3
59.70695	0.6
60.45018	0.5
71.01399	1.0
73.90259	0.5
83.93969	0.6
92.10178	0.7
96.96029	2.2
108.02203	1.2
116.92797	0.5
123.82470	0.5
129.24670	0.6
134.03743	25.9
135.04521	2.6
136.01662	82.0
149.06084	9.9
149.33003	0.6
151.04018	100.0
152.04799	7.9
167.07173	5.0
213.05605	7.3
219.54616	0.6
223.04143	1.4
239.03345	0.9
241.05095	59.4
255.06592	2.9
256.07449	38.3
267.36752	0.6
270.08990	3.6
271.09787	59.1
272.10062	0.7
284.65698	0.6
285.11395	5.4
319.11905	12.4
331.11780	3.0
333.13647	1.1
353.42569	0.6
388.08057	0.6
406.92334	0.8
499.19830	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46424	0.4
65.00329	0.4
75.70228	0.3
84.92410	0.4
96.77338	0.4
99.92580	9.9
100.48915	0.4
100.92612	0.4
116.92863	100.0
117.92860	4.8
119.05041	0.6
122.06104	1.9
124.07703	0.5
134.06137	0.7
148.07690	2.6
150.05605	0.4
151.00394	1.6
157.06525	0.7
159.04517	2.9
161.04794	2.4
162.05557	2.2
185.02448	0.4
186.12848	0.5
201.05576	2.3
212.05907	0.5
213.06641	2.1
213.10350	2.1
220.06137	2.5
225.10373	0.4
226.86305	0.4
227.03433	0.5
227.08316	3.6
227.11813	4.2
228.09076	0.9
229.09877	0.9
229.13489	7.7
239.08224	0.7
239.11932	0.7
240.08894	0.9
241.06123	0.7
241.09862	4.5
242.06911	0.6
243.06580	0.8
251.08185	0.8
252.08932	0.5
253.09859	3.7
254.10623	1.5
255.07970	0.4
255.11404	3.5
256.08609	0.9
256.12140	2.1
257.09351	2.0
257.12915	0.9
265.06320	0.8
265.09799	2.3
267.11450	3.3
268.12167	0.9
269.09827	0.5
269.12955	3.9
271.10791	0.5
271.14633	3.2
273.08804	1.9
278.06946	0.8
279.07767	3.0
283.10767	0.9
284.11313	0.7
285.12396	1.9
293.09332	2.6
294.10046	4.4
296.07938	0.6
297.08942	3.3
301.11926	0.5
311.10416	1.7
312.11172	0.7
315.09805	1.8
329.11368	0.9
343.13037	1.5
352.20313	0.6
387.12213	2.1
389.09659	0.9
389.14139	0.6
511.19766	2.5
541.11517	4.4
542.11414	0.8
615.27600	0.7
659.27301	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44434	0.6
59.01382	100.0
61.98835	2.8
79.99017	0.7
86.04237	0.7
141.01704	40.7
152.65517	0.6
164.65717	0.6
184.60245	0.8
208.10838	0.7
277.21585	4.9
279.19626	0.8
289.91144	0.7
408.11472	0.8
468.62228	0.7
502.29465	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	659.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51512	0.5
53.17021	0.6
59.01398	2.3
61.98830	13.8
66.23446	0.6
66.99557	0.7
71.01381	0.9
87.93078	0.5
108.02180	0.9
121.02959	2.9
134.03737	35.5
135.04543	6.4
136.01671	3.1
137.02432	1.0
145.03008	0.8
149.06078	13.0
150.03209	0.9
151.04044	1.5
153.05551	0.8
165.05495	0.6
209.06088	1.3
211.04025	1.0
222.34929	0.8
224.04861	2.6
225.05573	1.1
227.07193	1.1
231.60928	0.7
236.04868	1.1
237.05519	3.1
239.03610	0.8
240.04253	3.0
241.05046	1.4
251.03589	1.0
252.04231	6.4
253.05119	10.4
253.33221	0.7
254.05820	1.5
255.06653	6.7
265.05005	4.5
266.05908	2.6
267.06799	1.0
268.07379	2.8
269.04565	4.7
269.08075	1.5
270.05292	0.9
270.09256	0.9
279.06580	0.9
280.07343	3.3
281.04630	15.2
281.07849	2.1
282.05359	4.2
283.06110	3.8
284.06909	4.3
285.07764	0.8
296.06879	15.2
297.07651	4.3
298.08466	3.7
299.09338	4.8
311.09326	12.0
313.11014	6.5
317.08441	1.0
318.09039	0.8
328.07257	1.3
329.08212	4.2
330.09082	2.4
340.07462	1.1
341.08301	1.2
343.09805	1.3
345.07513	2.8
345.11453	0.7
346.08469	4.3
356.07007	2.8
357.07489	5.9
358.08514	4.2
361.10709	5.8
368.06866	1.1
369.07660	3.0
371.09238	3.6
372.10077	2.9
373.07104	5.5
373.11133	0.9
374.07938	20.9
384.10123	1.4
386.07980	10.4
388.09250	1.0
389.10342	52.1
390.10797	2.5
401.10318	22.4
404.12646	57.1
405.13284	0.8
416.12714	20.8
419.15045	100.0
420.15396	1.1
431.14999	13.6
449.15967	7.2
467.17172	61.0
468.17694	0.8
479.17160	66.4
497.18259	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	657.277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09376	0.9
55.53215	0.8
57.03451	1.3
59.01384	33.9
63.87391	0.9
71.01373	7.9
82.02981	1.9
83.01407	0.9
83.92159	0.9
85.02977	1.6
89.02460	2.6
96.96021	1.7
101.02459	2.1
110.06078	1.2
113.02476	1.0
121.02940	13.1
122.06165	1.9
124.07671	2.1
134.03723	5.2
135.04523	1.6
136.07610	1.1
139.88141	1.2
146.03754	19.5
148.04108	11.7
149.04837	5.2
150.05634	21.2
161.04614	4.5
161.06111	7.3
163.04015	1.4
164.04779	16.0
166.06357	100.0
173.03549	2.6
174.04291	8.0
175.05074	3.9
179.07140	77.0
181.08719	74.1
189.06683	1.4
190.07445	2.2
191.08302	3.9
193.05040	1.1
203.08170	1.2
209.11804	6.0
216.06467	1.2
231.07851	2.1
232.08577	4.0
233.09300	2.2
244.08318	1.4
245.09192	1.8
273.12421	1.3
303.13446	7.3
328.12906	2.2
341.03354	1.1
361.16714	8.3
386.17361	9.2
397.17899	1.5
398.17337	2.4
415.15973	5.9
440.18536	1.6
458.19327	16.7
540.61725	1.3
621.25763	23.9
645.73914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01391	2.4
61.98859	2.9
62.13531	1.2
67.60895	1.0
71.01364	1.3
82.59533	1.0
85.02975	4.9
85.36517	1.0
92.10871	1.2
94.43877	1.3
95.82191	1.0
97.06624	1.9
106.09644	1.1
108.02229	1.4
122.03754	8.1
123.04541	1.3
134.03749	1.8
136.01692	1.2
146.03746	2.1
149.06174	1.8
150.89142	1.3
155.10822	1.7
162.06886	35.5
163.07648	13.5
171.10274	6.8
172.10591	2.3
174.06909	9.8
175.07643	20.3
176.04773	6.9
177.05559	4.7
183.13858	1.5
191.07193	2.7
194.05859	5.1
211.13412	14.5
212.13765	7.6
222.12297	1.3
229.14577	9.4
230.14812	5.4
247.43515	1.3
271.06357	1.3
292.19995	1.9
296.10446	2.9
299.12912	29.6
305.14328	1.2
311.12979	18.6
320.60217	1.2
327.21786	42.6
328.22144	31.6
329.13992	100.0
329.22302	16.3
330.14630	1.2
417.26682	1.2
582.18146	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	657.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
57.48430	1.2
59.01384	12.9
64.77588	1.4
65.41538	1.4
66.12040	1.4
71.01376	6.7
71.91822	1.9
78.29376	1.4
80.90086	1.6
82.02995	9.7
82.35938	1.5
82.45195	1.8
83.01363	2.2
89.02441	3.3
101.02452	1.8
108.04586	2.7
110.06107	10.5
112.04023	2.8
120.04519	3.0
122.06113	9.4
124.07694	8.2
125.02463	1.8
125.04799	1.4
125.36454	1.7
136.07648	3.0
138.05606	1.8
147.70955	1.5
148.04047	48.8
148.07642	1.6
149.04857	24.2
150.05612	76.5
154.05096	6.9
154.08730	3.4
161.04781	6.4
162.05618	3.5
173.03571	15.0
173.06113	1.8
173.09563	1.6
174.04329	26.4
174.05630	6.0
175.02554	1.8
175.05141	13.4
176.07184	1.7
183.46211	1.7
188.07182	1.6
189.06700	13.6
190.07457	17.3
191.08290	16.3
199.07709	3.1
200.07111	2.5
201.07878	2.0
202.08867	12.2
203.05882	2.4
203.08199	2.7
209.11803	14.5
214.08731	2.4
216.06737	1.9
231.07681	8.6
232.08585	17.4
233.09282	24.0
242.08208	3.3
244.08192	3.1
244.10138	4.6
245.09290	8.8
261.12375	1.6
273.12473	12.0
287.10440	2.6
303.13504	20.7
327.13577	2.3
328.02200	1.5
328.13016	22.0
329.11255	3.2
344.16241	12.2
356.16275	1.6
357.14716	3.0
368.16174	1.9
381.37924	2.1
386.17285	53.8
397.17795	12.8
398.17139	10.1
399.15579	1.9
400.23999	1.8
416.18225	3.2
440.18231	13.3
441.16727	3.8
458.19446	72.3
491.19427	2.1
549.23706	2.1
603.25348	2.1
621.25775	100.0
640.63074	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	656.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63049	0.9
60.00130	0.9
61.98832	100.0
71.03726	0.9
74.81950	1.0
76.76150	1.0
82.26785	1.2
82.59099	1.1
94.09940	1.2
115.50472	1.0
118.46803	1.0
152.99554	1.0
153.98207	1.1
189.87927	1.0
222.98497	1.2
253.61070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.5
60.21698	0.7
61.98831	100.0
62.19456	0.8
97.08123	1.0
141.01674	1.8
158.36241	0.9
300.66171	1.0
346.40643	0.9
411.76968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32642	0.2
51.94425	0.2
51.97311	0.2
59.01383	0.3
70.88740	0.2
93.03461	0.6
99.92577	8.3
103.04631	0.3
116.92858	100.0
117.03448	1.5
117.92881	1.2
125.02430	1.1
126.73690	0.3
132.08240	0.3
135.04509	0.4
159.04510	0.5
159.54240	0.3
169.14317	0.3
181.06598	1.4
206.36017	0.3
209.11819	0.3
225.05579	3.7
249.05499	0.4
251.03438	3.8
267.06665	1.1
275.03500	1.1
293.04639	2.2
319.02646	0.3
364.97275	0.3
387.08847	3.3
405.98370	0.3
413.06827	3.2
539.09790	6.0
639.02704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.16243	0.2
61.98827	0.5
84.87205	0.2
92.10106	0.7
96.99304	2.7
98.45023	0.3
105.50310	0.2
115.15630	0.3
117.00408	0.3
125.25240	0.2
141.01697	36.0
144.41283	0.3
146.85057	0.2
161.34801	0.2
183.05070	0.3
194.35771	0.3
201.02737	0.3
209.11823	0.3
223.69273	0.3
257.05338	0.3
275.06369	1.6
277.21823	1.8
313.14246	0.3
336.59818	0.3
339.43375	0.2
359.22061	1.2
391.19760	1.4
535.27771	1.4
595.29724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34359	1.7
59.01376	4.0
61.98835	8.1
63.01001	2.0
65.14089	1.7
69.03458	2.1
69.36739	2.1
72.13381	1.9
74.64975	1.7
76.08801	1.8
77.62970	1.8
86.19614	1.9
89.02445	2.5
95.05014	42.6
97.06578	100.0
101.02453	2.4
115.07660	9.6
116.86661	2.0
116.92875	4.9
141.05563	2.2
159.06609	37.7
277.21710	40.1
438.95566	2.0
655.37195	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.48
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19646	0.3
56.95118	0.3
59.01376	0.4
67.61984	0.4
74.27074	0.3
96.99950	0.4
97.06573	0.8
103.32617	0.4
113.09741	0.4
115.07642	0.8
125.06133	0.5
126.06887	0.5
135.66757	0.4
141.09232	0.5
165.12872	3.2
167.14398	0.9
181.12372	2.6
183.13896	0.7
193.12386	1.5
195.13918	0.8
211.13403	3.5
221.15575	1.6
240.13573	1.0
247.20660	4.0
253.92305	0.4
265.21655	0.4
273.18558	2.3
281.21234	1.4
291.19681	25.9
309.20746	100.0
310.20966	0.6
359.22388	0.6
577.54816	0.4
595.31525	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	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42754	0.5
57.17395	0.4
59.01386	100.0
61.98824	2.2
71.01395	0.9
92.10827	0.7
96.99310	3.3
97.06591	1.8
108.69559	0.4
116.92853	1.1
123.08153	0.7
125.09731	13.4
125.48392	0.4
139.16530	0.5
141.01707	37.3
142.47935	0.5
168.72899	0.5
169.08656	0.4
172.43391	0.5
187.09773	7.3
209.11847	0.5
249.18570	0.8
253.09090	0.5
275.06497	0.7
277.21640	2.4
334.22705	0.5
359.21759	0.7
378.98148	0.5
391.19785	0.6
423.18652	0.8
535.27759	0.6
635.28528	0.6
655.37036	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	653.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88251	2.5
64.34810	2.7
71.53491	2.4
83.05064	5.0
92.10152	3.9
95.02539	2.6
111.08180	3.2
122.25786	3.2
149.09705	3.9
149.80319	2.9
150.35123	2.7
207.25456	2.6
209.11890	5.6
244.62006	2.6
261.18692	24.9
325.20258	100.0
327.21710	6.5
395.80069	3.1
550.75671	3.6
653.44287	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46406	0.4
52.13379	0.4
53.10357	0.4
58.89175	0.4
59.01403	3.2
68.30570	0.5
71.01388	1.3
81.53480	0.5
83.97404	0.4
85.02966	0.8
89.02470	1.0
92.08702	0.5
92.10875	0.9
96.96024	2.5
99.00886	1.3
101.02458	0.6
113.02425	0.7
117.03468	0.7
119.05030	100.0
120.05324	0.6
122.94152	0.5
133.06580	1.2
135.20111	0.6
145.02957	1.0
161.06104	2.2
163.04024	65.5
164.04422	0.5
191.05608	0.9
205.05051	1.2
220.21709	0.5
299.17404	0.6
325.08990	0.7
457.13605	68.1
458.13971	0.8
499.13980	0.7
626.61554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69133	0.2
59.01381	0.5
61.98838	1.4
67.09058	0.2
68.88981	0.2
80.96515	0.3
89.02451	0.4
95.73021	0.3
99.92580	10.3
101.02405	0.3
104.12523	0.2
114.93412	0.3
116.92854	100.0
117.92848	0.6
141.23523	0.3
147.62502	0.2
234.24054	0.3
255.23286	1.0
256.23560	0.3
372.34253	0.3
388.11734	0.3
537.30829	0.3
606.36890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12117	0.3
59.01383	24.5
70.56418	0.4
71.01382	3.9
73.02970	0.9
75.00832	0.4
75.55819	0.4
85.02953	1.7
89.02449	0.8
96.96030	1.6
98.18434	0.4
101.02438	0.9
107.05046	1.7
113.02441	0.6
116.92868	0.5
119.04958	0.8
121.02973	4.1
133.02975	2.0
135.04526	1.0
139.89709	0.4
143.11098	0.4
145.02975	0.8
147.04541	1.6
151.00378	0.9
151.03996	4.7
165.05542	0.7
171.27046	0.4
179.07129	2.1
180.07970	2.9
223.09735	2.6
224.04770	0.5
226.08406	0.4
240.04407	0.7
255.10358	1.0
269.08209	22.0
271.06155	3.1
271.09732	5.6
281.08066	3.7
283.09784	18.9
284.10263	0.5
295.09937	0.6
296.10434	1.8
297.11087	0.5
298.12158	1.9
299.09286	15.1
310.12115	0.5
311.09302	36.2
313.10913	0.6
314.11652	29.1
325.10706	3.0
326.11627	56.5
327.11749	0.7
329.13986	56.9
330.14349	0.9
331.15665	0.5
340.27225	0.4
341.13971	100.0
342.14331	2.1
346.73251	0.4
433.15527	0.9
455.26587	0.5
595.23938	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	653.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	100.0
125.09779	4.1
135.08157	3.4
152.99574	9.2
153.09213	9.8
163.11313	4.2
171.10266	16.4
185.11877	11.9
191.14378	13.7
199.15331	2.5
207.10286	3.4
209.11835	11.0
211.13446	4.1
214.32565	3.2
225.11230	4.4
245.19087	27.2
247.20609	3.4
255.23463	10.0
289.18143	68.8
291.19711	37.2
307.19193	90.8
309.20724	75.9
325.20273	34.6
344.29767	3.8
581.37976	4.8
599.38867	4.1
617.40442	6.1
653.30164	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99895	1.6
53.73279	1.5
57.06165	1.7
59.01394	1.7
60.12574	1.6
61.98853	1.7
78.95910	100.0
83.05009	2.2
83.58472	1.9
92.10092	4.2
96.91270	1.8
112.72708	1.8
127.68396	1.8
149.00075	2.8
152.99594	9.3
153.12877	2.4
165.12769	1.8
168.58540	1.9
171.10313	2.4
185.11726	3.4
197.11784	2.6
209.11856	20.8
243.45908	2.0
247.20641	3.0
255.23289	10.5
289.18079	3.7
291.19656	21.2
294.69800	1.9
307.19080	22.9
309.20764	70.4
325.20135	15.3
355.17169	2.1
394.10989	1.9
447.13422	7.1
452.15427	2.1
465.22351	1.9
544.69592	2.2
599.40063	3.8
617.40765	9.6
653.30267	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30363	0.9
71.20718	1.0
84.60960	1.0
88.01955	1.2
92.65303	1.2
114.64386	1.1
140.64932	1.2
141.09230	3.9
151.11342	1.6
153.12877	2.2
153.73068	1.0
162.06924	1.4
181.12323	1.1
183.13847	1.2
199.13490	2.0
227.12862	3.7
229.14577	1.3
251.20328	1.4
261.18622	5.2
279.19647	13.8
307.19104	2.6
309.11203	1.2
325.20233	100.0
326.20654	17.5
327.12540	3.9
327.20956	6.4
500.26566	1.1
519.36969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54105	0.6
55.01885	1.4
57.03458	0.6
57.41399	0.5
57.94306	0.6
58.00600	1.1
59.01383	45.1
61.98825	1.2
64.71429	0.5
67.70798	0.6
69.03461	1.6
71.01379	28.2
72.99324	1.2
73.02943	5.3
81.03455	1.2
83.01360	5.6
85.02942	6.6
87.00877	6.3
89.02437	26.8
92.10126	2.3
95.01375	2.6
97.02934	4.2
99.00854	1.3
101.02435	21.4
111.04514	1.1
113.02454	10.2
116.92857	3.0
119.03500	6.5
125.02425	8.9
133.05104	0.8
143.03516	3.4
157.39560	0.6
161.04517	4.5
179.05585	4.0
209.11902	1.2
221.06708	1.1
235.08313	7.8
253.09271	1.6
255.23315	100.0
278.09125	0.6
287.07596	1.1
305.08743	1.5
397.13550	57.2
415.14554	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	653.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39724	3.7
56.98128	3.5
57.03458	5.3
57.65207	5.2
59.01377	52.9
64.16286	4.2
67.96371	4.5
71.01373	44.3
73.02947	4.3
80.96517	11.6
83.01359	5.0
83.35139	4.5
85.02961	5.5
89.02438	32.3
97.02940	5.1
99.92612	4.0
101.02448	18.3
113.02434	7.0
114.93409	11.4
116.92857	94.9
125.02444	11.0
129.74777	5.1
146.55740	4.0
178.62206	5.1
184.37131	5.1
255.23360	100.0
397.13568	59.4
415.14691	20.8
420.15222	7.4
555.28131	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	653.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27510	0.4
50.27780	0.5
70.40845	0.5
72.90134	0.5
73.20507	0.4
74.29497	0.5
77.25774	0.5
78.95896	100.0
90.48986	0.5
92.64842	0.5
104.90533	0.5
149.00084	6.7
152.99573	1.2
171.10216	0.5
179.01227	0.6
205.15944	2.8
236.46167	0.6
255.23326	4.0
263.23535	0.6
281.81711	0.6
285.12704	5.0
355.16727	2.8
385.17868	1.1
391.22647	0.8
392.74103	0.6
447.13467	7.4
471.51535	0.6
576.85327	0.6
653.30188	48.4
654.30743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00938	0.7
59.01390	9.3
63.85345	0.7
64.34718	1.0
68.99554	1.0
71.01395	3.3
72.99337	1.1
77.03974	0.8
81.86492	0.8
85.02991	1.4
89.02471	1.6
96.70944	0.8
96.96007	1.0
109.02965	1.8
112.98698	1.1
116.92817	1.0
117.03465	1.6
119.05027	1.1
121.02940	1.7
133.02946	23.4
134.03748	1.0
135.04564	1.6
135.34689	1.0
137.02481	1.0
145.02928	1.1
147.04543	1.1
161.02509	1.8
163.00421	1.8
163.04007	5.2
165.01978	1.1
173.02498	3.9
175.00407	8.5
175.04021	4.4
177.01950	1.1
180.04393	1.1
191.03506	4.5
193.01422	2.0
201.01979	1.8
209.06107	1.0
213.05563	0.9
221.08229	1.3
224.19130	0.9
225.05588	0.9
225.67561	0.8
235.04045	1.2
237.05605	1.2
241.05170	1.1
253.05087	1.9
265.05185	3.3
267.03052	4.4
269.04575	3.9
275.33597	0.9
280.08307	1.0
281.04575	1.4
283.06140	10.8
284.03281	10.7
285.04080	8.7
291.03317	1.1
293.98865	0.8
297.04074	26.9
298.04831	21.5
299.05643	22.0
309.04105	87.3
311.05652	21.9
323.05667	1.3
327.05157	100.0
328.05347	1.3
339.05188	5.2
357.06244	36.9
369.06216	1.7
393.06076	1.1
429.08411	11.0
431.09888	12.4
473.10910	16.0
502.70844	1.0
513.71765	0.9
593.15228	86.8
594.15643	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	651.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53083	1.6
59.01395	9.3
71.01408	3.0
83.01347	1.7
84.04537	2.3
96.96025	2.0
103.66021	1.5
116.92835	2.0
119.05089	1.8
119.24435	1.6
122.06124	27.5
135.04483	1.6
136.07643	3.3
138.09244	1.7
143.16689	1.9
148.04063	3.6
150.05600	2.6
161.04819	3.1
170.08209	3.4
175.05289	1.7
179.05637	1.7
196.06192	6.8
197.10959	7.3
199.08763	13.4
213.14030	3.0
238.11127	2.3
239.11922	100.0
240.12297	2.1
244.09749	2.1
257.09354	3.2
286.26096	1.6
287.14032	1.6
308.17612	6.6
318.12488	6.4
319.18036	2.0
332.14017	2.1
333.14859	10.6
339.90182	1.7
345.15018	1.7
347.12402	1.9
360.17178	6.4
362.18811	68.5
363.16782	2.1
380.20050	2.4
392.19946	2.4
406.17737	54.1
431.46512	1.7
436.18848	17.0
439.61154	1.8
559.25677	3.3
603.24902	2.5
621.25891	33.0
651.27014	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	651.2686
Annotation	Saludimerine B
Peak:m/z	Relative Intensity
51.22507	4.3
52.76433	4.1
52.93488	3.5
57.03460	21.0
59.01390	56.5
60.99326	8.1
61.98837	4.8
62.33628	4.2
71.01398	31.9
83.01386	5.9
88.98810	49.3
89.00418	4.8
89.02474	6.4
96.96011	29.7
97.06589	9.0
100.59435	4.6
101.02452	5.6
114.38751	5.7
119.04988	7.4
122.06106	29.4
125.02511	5.2
129.05582	56.4
133.88693	4.7
134.06136	11.2
148.66147	5.4
150.03180	5.2
150.09241	5.5
151.00357	6.8
162.09364	5.7
186.09201	10.1
192.10329	65.3
202.12300	20.5
203.08260	9.7
204.10312	8.0
211.13467	5.3
229.06151	6.3
231.11354	9.0
246.11374	11.7
259.14465	20.6
264.12421	36.7
271.06207	10.5
271.14835	5.0
286.15472	6.3
305.08145	4.7
319.12979	5.7
342.14655	28.9
372.66278	5.4
508.14493	5.5
527.86798	5.5
607.27087	6.0
651.26410	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	653.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76093	1.4
53.82913	1.4
56.33579	1.5
57.31602	1.3
59.01390	100.0
61.98840	2.4
67.01917	1.9
71.01391	13.7
73.02966	3.5
83.01437	2.1
85.02961	3.7
88.98814	3.1
89.02487	2.9
93.03454	37.1
97.02970	2.0
97.90359	1.8
101.02462	7.0
108.02168	13.0
113.02458	4.0
117.03457	12.1
119.05045	2.0
122.94302	1.8
123.00865	1.6
123.04516	13.8
135.04543	2.2
136.01680	11.9
137.02431	62.0
143.44409	1.7
151.00380	3.9
151.04030	9.2
152.01137	28.8
152.50916	2.1
153.01938	2.4
156.23128	1.7
161.02423	9.5
163.04053	2.6
166.02718	8.3
167.03490	47.2
176.00787	1.6
179.03510	30.9
181.05151	2.3
194.02242	7.9
209.04582	49.4
234.71819	1.7
239.05592	7.1
241.34050	1.7
269.06775	2.8
281.04031	2.7
281.06940	19.7
283.06128	6.9
287.49423	2.1
293.04584	56.9
295.06113	6.2
297.06128	3.2
311.05350	7.5
311.08139	8.2
323.05579	17.2
413.08945	13.1
449.11032	18.9
491.12201	19.9
533.13031	3.2
577.15686	16.5
593.15088	54.3
638.11584	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	651.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44449	0.9
55.01883	2.3
56.03510	0.9
57.03458	1.3
58.00605	1.6
59.01384	82.5
61.98826	1.5
66.49105	0.9
69.03452	1.6
71.01378	60.4
72.99305	6.6
73.02944	33.2
75.00883	2.1
83.01389	7.2
85.02953	34.6
85.45026	1.1
86.00079	1.3
87.00881	12.6
87.04526	2.4
89.02441	46.6
95.01381	5.3
96.96022	2.0
97.02946	2.3
97.06584	1.7
99.00868	5.4
99.04533	2.5
101.02441	66.0
103.04037	5.6
113.02456	19.6
115.03999	6.2
119.03493	19.2
119.05004	1.8
121.02966	4.2
125.02435	4.3
125.06084	4.8
125.48244	1.1
127.04023	1.8
131.03479	11.7
131.07002	1.2
142.11328	1.1
143.03473	15.0
143.07140	5.6
145.05078	18.3
147.04520	1.6
161.04559	17.6
162.03224	1.1
163.03998	1.8
163.06090	8.5
175.03931	1.8
177.01915	1.3
179.05614	23.6
187.04013	1.5
188.04765	1.4
196.36096	1.0
205.07181	14.1
221.06612	5.3
227.53798	1.2
234.86520	1.2
247.08249	5.0
263.07230	4.2
264.07980	2.0
265.09094	1.5
267.06528	1.5
277.08698	1.9
278.09348	1.4
280.07339	1.6
281.08136	10.2
283.09756	2.5
289.90042	1.1
291.06839	1.6
292.07407	6.3
293.08243	5.4
295.09711	4.3
296.10611	6.0
307.09796	3.9
308.10678	1.8
311.12894	6.3
321.07684	2.1
323.09454	1.5
325.11462	5.8
327.12503	2.1
339.12613	1.5
345.13388	1.1
351.08743	13.8
351.12573	3.9
354.11105	5.0
365.10297	2.3
366.11130	14.2
367.12506	100.0
369.13474	35.7
381.13486	45.1
397.13391	2.1
399.14490	6.7
411.14926	1.3
427.14642	10.3
429.17865	3.3
591.23029	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24394	0.6
51.27964	0.5
54.02336	0.5
58.00598	0.7
59.01392	3.1
66.48660	0.5
71.01395	2.9
79.32066	0.5
85.02954	7.5
96.95974	1.2
97.02929	0.9
99.58302	0.7
109.02937	1.3
116.92851	4.4
121.02957	7.2
135.04533	1.2
143.86082	0.7
145.02965	1.0
147.04509	1.3
158.03740	0.8
159.04518	4.0
161.06096	0.8
174.03215	0.7
175.03990	1.2
187.03888	1.3
189.05511	2.6
217.05026	3.0
221.06024	0.8
241.05081	2.9
247.07680	1.4
251.07233	1.2
253.08762	1.0
254.05968	0.9
255.06639	3.1
256.07474	3.1
263.07269	2.9
264.08008	4.4
265.08670	2.7
266.05826	1.0
267.06567	4.4
268.07446	2.3
269.08154	4.4
270.09085	2.9
271.09766	4.0
274.06219	0.7
275.07190	3.3
276.07861	1.5
277.08746	3.1
278.09558	0.8
278.32065	0.7
279.06552	3.5
280.07379	2.7
280.11215	0.7
281.08194	16.0
282.09027	5.5
283.09750	9.9
291.06647	6.1
291.10065	1.5
292.07407	16.1
293.08203	8.5
294.08926	1.3
294.91217	0.7
295.09668	6.5
296.10532	16.7
297.11249	3.7
306.08954	0.7
307.09708	5.2
308.10538	6.6
309.11380	1.6
310.12167	0.7
311.09628	1.3
311.12915	13.8
317.08417	0.8
321.07788	4.9
322.08673	0.8
322.12003	1.3
323.09247	7.7
323.13019	3.3
333.07495	0.8
334.08594	0.8
335.09357	2.8
336.10114	5.8
338.11462	1.1
339.08777	4.1
348.10251	0.7
349.10760	2.4
350.11597	3.2
351.08762	36.0
351.12482	3.0
354.11081	8.7
365.10370	5.1
366.11108	29.3
367.11911	0.9
369.13477	81.2
370.13867	2.2
378.10837	1.1
381.13480	100.0
382.13828	3.0
390.03870	0.7
393.13406	3.5
399.14615	9.2
411.14462	1.3
417.13568	0.8
492.22775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
55.47584	1.1
57.03468	1.0
59.01382	37.9
61.98830	1.7
62.84172	1.2
71.01381	11.3
73.02951	4.8
81.03478	1.9
83.01381	1.6
85.02967	11.3
86.41884	1.0
87.00906	1.6
87.52554	1.0
89.02435	7.9
91.82127	1.1
92.10078	2.3
96.16719	1.2
96.96017	4.6
97.02947	1.5
99.04555	1.8
101.01882	1.2
101.02434	10.0
109.02963	1.2
113.02437	2.1
116.92853	7.9
119.03547	1.4
121.02937	8.5
122.03667	1.3
123.04527	1.9
125.02417	1.3
127.98420	1.1
128.45248	1.2
131.03487	1.4
135.04439	1.9
143.03543	2.4
145.03033	1.6
159.04465	4.0
161.04575	4.5
175.04001	4.7
189.05579	1.8
204.73387	1.2
217.05016	6.2
237.09158	1.4
241.05031	1.4
253.08893	1.3
255.06612	2.6
256.07349	1.3
263.07126	2.7
264.07928	2.2
265.05707	1.6
265.08722	5.2
267.06598	5.4
269.04510	2.6
269.08197	2.3
271.10001	1.5
275.07132	2.3
277.08694	1.2
279.06683	2.0
280.07550	2.1
281.05258	1.5
281.08252	13.7
282.08887	2.7
283.09793	8.2
284.07022	2.8
291.06674	5.6
292.07397	10.0
293.08356	9.0
295.09711	6.4
296.10541	15.5
297.11481	2.1
299.09372	10.6
305.08075	1.6
308.10562	5.5
309.07724	1.2
311.09161	5.7
311.12900	8.8
321.07697	7.3
323.09192	6.2
323.12924	2.3
327.12299	4.5
335.09109	2.1
336.09985	5.5
339.08752	2.1
339.12415	1.8
345.13281	1.5
348.82394	1.3
350.11618	2.4
351.08755	27.9
351.12610	6.3
354.10986	10.7
365.10342	4.6
366.11111	26.6
367.12433	14.9
369.13498	70.6
381.13492	100.0
393.13672	1.7
399.14560	20.1
411.14594	14.9
427.13892	1.2
429.15665	6.5
433.14392	1.2
591.23370	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	651.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92611	0.4
52.98003	0.5
57.03450	0.5
57.09878	0.4
58.00614	0.7
59.01384	5.0
62.40113	0.5
64.41600	0.5
71.01366	4.5
77.86964	0.5
82.08939	0.4
83.79184	0.4
84.02155	0.5
85.02955	6.6
92.10808	0.7
96.96017	4.3
97.02946	2.4
101.02457	0.9
102.22984	0.5
109.02958	0.8
113.02470	0.6
121.02946	21.5
123.04538	0.9
131.05043	0.5
135.04561	0.7
136.01672	8.5
145.02943	3.5
146.03754	1.2
147.04533	2.7
151.04021	14.4
158.03674	1.1
159.04466	5.2
161.06042	1.0
166.10733	0.5
175.03922	0.9
186.03172	0.9
187.03984	1.2
189.05519	1.2
199.03958	1.2
206.76703	0.6
217.05040	3.4
237.09102	0.9
239.07025	0.6
240.04297	2.0
241.05000	1.8
251.07166	1.9
251.10648	0.6
252.07851	0.6
254.05927	0.8
255.06578	3.7
256.07446	3.3
257.07965	1.5
261.09677	0.9
263.07089	2.7
264.08047	6.0
265.08710	2.1
266.05756	1.0
267.06686	4.4
268.07385	2.7
269.08163	3.1
270.08878	2.0
271.09814	5.4
275.07120	3.4
276.07892	2.8
277.08679	3.8
278.09558	0.8
279.06564	2.9
280.07477	2.8
280.10623	0.5
281.08206	16.3
282.08914	5.2
283.09775	10.8
291.06604	6.7
291.09955	1.4
292.07480	16.1
293.08286	10.5
294.08914	1.1
295.09778	6.6
296.07178	0.6
296.10526	14.0
297.11346	2.6
305.08078	0.8
306.08932	0.5
307.09857	4.2
308.10593	4.8
309.07648	0.6
309.11096	0.9
310.12091	2.1
311.09317	1.1
311.12906	11.9
321.07852	4.6
322.08325	2.1
322.12051	1.2
323.09250	6.1
323.12952	2.1
324.10034	0.7
327.12445	16.4
333.07663	0.9
335.09332	2.7
336.09991	5.3
336.85568	0.6
337.10956	0.7
338.11484	2.1
339.08737	3.9
339.12363	1.1
348.10239	0.9
349.10764	0.6
350.11569	3.6
351.08780	35.6
351.12570	4.2
353.10120	1.0
354.11133	9.7
365.10242	6.9
366.11115	32.9
369.13467	87.1
370.13794	0.9
381.13480	100.0
382.13739	2.5
393.13596	1.1
399.14569	7.5
411.14124	0.8
489.17621	0.6
534.55035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67861	1.0
57.03445	2.4
57.91917	1.3
59.01390	12.1
59.95895	1.2
61.98844	1.4
70.27243	1.2
71.01408	2.2
77.53970	1.1
81.03506	1.5
82.02990	16.4
83.01393	2.0
85.51630	1.3
86.17976	1.2
88.33164	1.1
94.02992	1.2
96.04551	1.9
96.95997	1.8
101.02453	2.2
104.94636	1.2
108.04568	6.2
110.06116	5.2
112.04094	6.2
116.92876	7.3
120.04563	7.6
122.06147	8.5
124.07682	2.1
129.05550	2.1
129.60793	1.3
132.04521	1.5
134.06155	6.9
136.04048	1.7
136.07690	14.1
138.05649	5.2
146.39771	1.2
147.03325	1.8
147.05711	1.6
148.04059	70.5
148.07675	1.4
149.04837	30.6
149.79448	1.1
150.05615	79.5
154.05139	2.4
160.02814	2.1
160.04063	2.6
160.07631	1.3
161.04794	9.4
161.07066	1.2
162.05655	6.7
164.03532	2.2
173.03552	18.9
173.04773	2.2
173.06047	4.5
174.04337	42.5
174.05627	7.6
175.05162	21.6
176.05887	1.6
184.07823	1.3
186.05632	6.8
187.06432	1.7
189.06721	19.4
190.07452	24.1
190.08855	1.3
191.08273	15.5
200.07173	6.8
201.07944	2.4
201.09467	1.7
202.08875	11.1
203.08325	10.1
211.88077	1.2
216.06738	2.2
216.10384	1.6
217.09920	1.6
219.11275	1.4
229.06049	9.1
231.07755	17.0
232.08539	29.5
233.09366	27.0
239.11914	7.7
241.09807	2.3
242.08298	2.1
242.11923	2.1
243.07758	6.8
243.11514	1.7
244.08202	13.2
245.09265	9.6
247.07222	3.0
255.11310	1.9
263.10553	2.1
283.10925	1.4
285.12384	21.9
287.10474	2.6
303.13651	1.8
305.11325	1.9
310.12119	10.2
310.15250	1.4
311.10266	2.2
320.54962	1.4
326.15176	5.3
331.13022	5.2
336.26062	1.5
344.12976	1.3
356.12524	7.3
357.10950	1.8
362.18811	5.5
368.16080	17.9
380.16238	5.2
398.17130	1.5
406.18045	1.8
410.13489	1.7
414.16711	40.0
422.17041	6.3
425.17450	1.7
426.16754	6.6
427.15234	1.7
436.18491	1.5
440.18268	15.6
454.44373	1.3
458.19156	1.9
468.17749	10.3
469.16278	6.3
485.06631	1.4
486.18839	100.0
487.19504	1.9
577.23187	3.0
607.24579	1.7
649.25256	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	649.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	0.7
59.01393	4.9
59.06482	0.6
59.18466	0.6
62.82721	0.6
64.79765	0.6
64.89465	0.7
71.01391	1.4
72.73388	0.6
76.88728	0.7
82.02996	4.2
82.95429	2.7
83.01394	1.1
93.48772	0.6
95.05029	0.8
96.04514	1.2
96.96008	0.9
97.06587	0.8
108.04559	3.5
110.06144	1.3
112.04070	0.9
116.92858	0.9
120.04564	3.0
122.02513	0.9
122.06104	10.4
129.05510	0.8
132.04498	0.9
134.06107	1.5
136.07684	9.1
138.05617	3.5
147.05705	0.8
148.04056	27.1
148.07819	1.0
149.04802	10.2
150.05603	32.6
152.07222	0.8
161.04820	4.3
162.05556	1.0
164.03514	8.3
168.06734	0.8
173.03561	7.5
173.06041	1.0
174.04344	16.1
174.05634	1.8
175.05162	7.8
176.03656	1.0
176.05818	1.1
176.07207	1.0
185.10803	1.5
186.05627	1.6
189.06696	4.6
190.07489	8.6
191.08260	8.5
194.04578	15.2
197.10808	7.6
199.08871	11.3
200.07149	0.8
202.08745	4.5
203.05951	1.4
203.08301	3.1
213.14014	4.1
215.08180	0.9
216.06802	1.1
216.10336	1.4
225.10374	1.1
226.08833	0.9
231.07755	6.4
232.08521	11.1
233.09297	6.6
237.10376	1.6
238.11101	3.9
239.11914	100.0
240.12241	1.1
241.09756	1.1
242.08267	1.3
243.07364	1.0
244.08638	3.3
244.09859	3.1
245.09253	4.0
285.09210	1.3
285.12469	8.9
287.10464	1.2
291.13879	1.1
303.10202	1.4
303.13843	1.0
304.15381	1.1
305.11804	0.8
308.17770	3.8
310.11911	3.3
318.12317	6.4
319.18057	4.5
320.17795	1.1
326.15201	1.2
330.12439	0.8
331.13104	3.2
332.14169	1.7
333.14841	10.2
334.19250	1.5
345.14948	1.6
347.16470	1.3
356.12689	3.0
360.17169	4.6
362.18808	69.6
363.17065	3.7
368.16089	6.6
378.18222	1.0
379.16840	1.2
380.15945	1.6
392.19910	2.9
406.17798	58.4
408.19427	1.1
414.16840	13.7
422.17252	2.9
425.17307	3.0
436.18878	17.2
440.18393	6.1
468.17761	4.6
469.16074	3.9
486.18903	36.6
575.25330	1.2
577.22589	1.4
605.25800	1.1
619.24280	23.9
649.25354	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	648.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65121	0.4
61.98840	100.0
65.34573	0.3
66.86098	0.4
69.45735	0.3
74.14185	0.3
116.92915	0.4
161.75293	0.3
174.92932	0.4
237.67461	0.3
490.18192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	4.6
61.98839	10.9
66.55640	2.1
67.45417	2.0
74.28111	2.3
74.97243	2.3
75.12186	2.2
78.62840	2.2
82.95432	2.6
83.01379	4.7
119.05055	6.3
121.37422	2.3
122.06137	16.5
151.00406	4.3
161.04826	13.2
184.07649	4.1
186.12880	5.0
201.10275	3.0
211.08936	5.0
212.09601	4.7
213.06735	12.2
213.10359	5.5
220.06165	32.5
222.41873	2.6
225.10187	3.2
227.08359	20.7
227.11908	25.0
228.09039	10.1
228.12688	3.3
229.09937	10.4
229.13448	36.7
239.08246	4.4
239.11899	3.6
241.06311	4.8
241.09868	26.7
241.13464	4.4
242.06998	4.6
253.09839	26.9
255.11450	12.4
256.12173	12.3
257.09265	13.6
257.13010	12.2
259.14557	18.5
265.09869	2.9
267.11447	16.6
268.12122	13.7
269.09305	9.4
269.12930	3.4
271.06152	4.2
271.10846	4.8
273.08691	5.7
279.07794	4.7
283.10791	6.2
285.12338	10.4
287.10449	4.7
293.09402	14.4
294.10254	8.7
297.08798	16.6
300.14728	3.4
301.08420	4.0
311.10355	5.0
315.09824	15.2
329.11566	4.8
343.12991	5.2
373.74515	2.7
387.12070	20.3
388.12814	19.4
389.13779	4.2
420.11890	4.0
521.36938	3.0
614.89355	2.9
647.27704	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	647.273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18901	0.7
59.01391	7.5
61.98815	0.9
67.12593	0.8
70.80586	1.1
79.69862	1.2
83.48435	1.0
84.93517	0.9
88.98801	0.9
103.24902	0.9
106.06625	6.0
119.05012	5.3
120.05311	1.1
122.06105	11.8
124.07655	1.0
128.03552	2.0
136.01718	0.9
136.07721	1.8
141.01720	1.2
143.04619	1.2
144.79005	1.0
145.02899	1.6
146.03282	1.8
146.06175	1.5
150.05597	5.4
151.05928	1.2
160.04004	2.3
161.04813	9.8
162.05647	2.0
163.03975	1.8
184.07652	5.6
186.12914	6.1
198.32968	1.0
199.08778	1.5
201.10489	2.0
208.06308	1.6
211.08800	4.6
212.05923	5.7
212.09383	2.3
213.06755	9.2
213.10275	10.7
214.07330	1.3
220.06160	11.1
225.10333	10.6
226.07288	1.8
226.11256	5.6
227.08340	20.1
227.11885	31.4
228.09026	9.1
228.12717	2.0
229.10028	8.5
229.13458	30.1
237.06796	1.3
237.10159	1.8
238.07416	2.0
239.08296	2.5
239.11963	5.8
240.09085	5.0
241.06161	4.7
241.09834	23.6
241.13470	5.2
242.06947	2.3
242.10474	1.7
251.08243	6.2
252.08957	3.8
253.09851	43.8
254.10695	1.7
255.07759	6.1
255.11423	14.0
256.08563	3.9
256.12247	11.6
257.09372	16.8
257.12924	17.3
258.10107	1.2
259.14627	7.2
265.06284	2.0
265.09818	8.0
266.10568	3.9
267.11475	15.6
268.09061	1.6
268.12195	27.1
269.09274	4.7
269.12906	8.5
271.10876	10.5
273.08911	5.5
278.06979	1.9
279.07703	10.4
282.06558	1.5
283.07562	2.0
283.10941	11.4
284.11884	3.4
285.12552	17.0
287.10483	5.3
293.09415	13.6
294.10153	12.9
295.10846	4.0
296.07986	2.2
297.08771	11.0
299.14056	1.9
300.11655	1.1
300.14725	8.1
301.08450	2.1
301.11899	2.0
311.10376	7.3
312.11200	4.3
315.10043	11.8
329.11417	4.4
339.09250	1.8
343.12912	7.8
344.13782	5.6
356.10211	7.6
387.11996	19.0
388.12802	17.5
389.13623	2.0
420.11584	4.2
482.15585	1.5
511.19565	4.8
512.20264	5.4
571.24689	1.1
647.27332	100.0
648.27979	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30146	1.2
59.01387	1.5
60.01148	1.1
94.06619	1.4
95.05019	2.2
101.85478	1.1
119.05114	1.4
120.04569	1.7
120.08234	1.3
122.06115	24.8
134.06129	2.0
136.07666	3.1
150.05615	2.4
151.00420	1.5
155.62048	1.2
160.03981	2.3
161.04849	9.5
162.05624	3.0
184.07764	2.2
184.11395	1.3
186.12894	8.2
189.04265	1.9
199.08652	1.7
201.10451	2.1
208.06187	1.9
211.08801	7.8
212.05916	5.0
212.09442	2.0
213.06754	12.4
213.10301	10.5
214.07344	2.1
220.06168	24.4
223.08774	2.1
224.09517	5.7
225.10358	5.8
226.07523	1.9
226.11021	1.7
227.08330	28.8
227.11845	22.1
228.09117	13.4
228.12718	5.4
229.09952	12.6
229.13464	51.7
237.06693	3.1
237.10339	1.7
238.07574	2.2
239.08250	5.3
239.11913	6.5
240.09113	6.8
241.06189	6.0
241.09843	34.1
241.13586	5.1
242.07053	2.0
249.10271	2.4
251.04601	2.3
251.08412	9.0
252.09055	7.6
253.09886	27.4
254.10605	1.9
255.07770	6.9
255.11407	20.1
256.08661	1.9
256.12234	13.6
257.09393	12.5
257.12857	11.7
258.13724	2.6
259.14490	22.9
265.06277	7.9
265.09900	16.7
266.10709	1.9
267.11377	21.0
268.12186	19.0
269.09467	2.7
269.12946	11.6
271.11047	5.2
273.08893	5.3
278.07114	2.5
279.07785	25.2
283.08002	1.8
283.10760	12.2
284.08261	1.8
284.11673	2.1
285.12448	16.0
287.10504	7.2
293.09360	22.2
294.10120	31.6
295.10828	5.5
296.08145	6.3
297.08838	23.3
299.10455	1.5
300.11304	2.5
300.14853	6.3
301.12097	1.6
311.10431	14.3
312.11102	6.6
313.11856	1.7
315.09818	15.1
316.10629	2.4
325.12064	2.8
326.12912	2.5
329.11450	6.6
343.13086	7.7
344.13736	5.4
352.19925	1.5
355.09775	1.8
356.10187	1.8
370.11868	1.7
387.12036	30.1
388.12753	14.0
389.13565	2.7
412.03806	1.4
420.11740	2.1
453.77280	1.3
511.19736	5.2
512.20923	1.5
603.28192	1.7
615.25323	1.8
647.27429	100.0
648.27936	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	645.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82773	7.8
59.01389	44.1
59.01657	7.9
71.01378	9.5
83.01394	13.6
89.02474	16.0
92.32710	8.1
101.02425	13.5
119.03488	13.0
130.25471	8.5
148.27544	9.2
150.05646	14.1
196.66597	9.1
209.11842	70.8
211.13438	89.8
397.13419	76.1
415.14728	33.6
609.28223	19.6
645.25287	100.0
653.03125	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	645.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85074	19.1
55.63116	18.6
56.16418	17.2
61.98853	100.0
62.81984	18.5
67.56080	21.4
77.31939	19.0
85.59069	18.2
110.13992	22.3
112.13228	22.2
131.93449	27.8
183.04361	24.5
209.11815	30.4
211.13516	53.6
454.31577	29.7
516.99847	26.6
645.33710	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63955	0.2
51.82061	0.2
59.07220	0.2
69.43603	0.2
69.52045	0.2
79.80569	0.2
81.03472	0.2
83.05049	1.2
84.47562	0.2
89.02440	0.2
89.03970	2.5
89.10631	0.2
89.11241	0.2
92.10128	0.2
94.82561	0.2
95.24906	0.2
96.96022	0.4
106.04252	0.9
117.03455	11.0
125.07198	0.2
134.03735	100.0
135.04071	0.4
137.02397	0.3
149.06096	6.6
178.02750	1.0
192.95854	0.4
193.05069	62.0
194.05388	0.4
225.16078	0.4
354.51373	0.2
433.31924	0.4
451.32947	10.7
452.33014	0.3
524.33063	0.2
645.26166	0.3
645.38763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21721	0.3
61.98833	100.0
70.01830	0.4
78.47249	0.4
92.10049	1.0
92.85290	0.5
137.03215	0.6
197.55396	0.5
218.34172	0.5
317.85486	0.5
357.61014	0.5
512.19745	0.6
616.85907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34392	1.5
59.01387	3.5
68.25362	1.9
68.76849	1.5
119.05014	8.4
122.06101	4.7
133.56030	1.8
151.00378	2.8
152.07201	2.0
161.04817	4.3
162.05568	1.8
184.07607	3.0
197.78563	1.9
211.08806	3.5
212.05894	1.9
213.06706	2.1
213.10352	3.8
220.06155	7.3
224.09494	2.7
225.10417	4.5
227.08281	14.7
227.11848	29.7
228.09081	7.5
229.09839	3.9
229.13422	17.7
239.08199	3.8
239.11868	7.0
241.06184	4.1
241.09827	23.8
241.13458	6.9
252.08896	3.1
253.09857	33.7
255.07753	3.3
255.11388	9.8
256.08493	2.8
256.12262	7.7
257.09341	11.9
257.12930	14.7
259.14487	4.3
265.09769	2.9
267.11484	13.6
268.08524	2.3
268.12167	21.4
269.09485	3.6
269.12891	10.2
271.06168	4.6
271.10825	4.0
273.08624	3.7
283.11008	8.7
285.12491	17.0
293.09372	10.4
294.10123	3.0
297.08716	10.0
300.14767	7.4
301.11765	2.5
311.10474	3.9
315.09940	11.1
329.11530	3.5
343.13010	3.0
371.12625	2.3
387.12137	14.3
388.12753	20.2
511.19693	4.3
512.20313	2.7
647.27441	100.0
648.27997	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	644.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	17.8
59.01391	1.6
61.54747	0.8
61.98840	1.7
71.01352	0.9
72.00938	1.8
72.97173	0.8
72.97516	6.8
74.02482	26.4
74.02899	1.2
81.04591	3.3
82.03007	4.0
86.02499	13.1
86.06136	1.9
87.05645	4.8
95.63728	1.0
96.04568	1.2
97.04087	5.7
99.05640	32.3
100.00396	2.1
100.04071	1.0
101.07192	5.1
102.05616	6.2
103.06210	0.9
107.06139	0.9
109.04079	5.8
109.07728	1.5
111.05644	2.0
112.04048	4.4
123.05630	1.7
124.03979	1.2
125.03561	4.7
127.05128	4.8
128.03540	75.9
135.05644	7.9
137.07153	1.7
137.09578	0.9
141.06711	1.8
143.04631	100.0
145.06209	4.6
146.04602	8.5
153.06688	5.8
155.08287	1.8
157.98979	1.0
166.09810	5.4
167.04607	4.0
167.08289	7.4
170.03258	1.8
179.04614	20.0
181.06227	3.3
185.05579	1.4
192.07762	1.5
197.05721	1.9
204.80737	1.0
210.08879	19.0
228.08324	3.8
248.40317	0.9
252.17714	0.9
254.07843	36.6
263.16507	5.3
267.89920	0.9
271.06183	1.5
272.08905	65.9
297.15277	4.8
302.12024	4.5
371.19266	1.7
515.24451	4.0
626.27600	9.9
644.28693	43.0
645.28638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53693	0.9
60.26793	0.9
64.14108	1.1
64.34393	1.2
76.06334	1.1
87.53035	1.0
92.10122	1.3
93.55140	1.0
96.96019	2.2
104.34517	1.0
122.06088	1.9
124.07708	1.5
128.03615	1.2
134.06148	1.6
144.04605	1.2
146.06097	2.7
148.07738	13.6
160.04048	1.4
161.04784	4.7
162.05609	9.3
172.04062	1.5
172.36366	1.1
174.05545	1.8
181.08566	1.2
189.34094	1.2
197.11685	1.1
204.06601	7.0
211.04987	1.1
211.08803	1.1
211.13457	2.2
212.05908	12.2
213.00488	1.0
224.09534	1.3
225.06715	10.3
225.10297	2.3
227.11948	1.8
235.08900	1.4
237.10275	8.2
238.08849	1.8
239.08270	15.9
239.11917	1.5
240.09113	8.8
251.08284	6.1
251.12004	1.6
252.08836	1.7
252.12697	6.5
253.06168	24.2
253.09837	22.8
253.13239	1.6
254.10620	2.0
255.11363	6.9
264.09030	1.8
265.06067	4.8
266.06946	6.4
267.07727	24.5
267.11353	10.8
268.08496	13.4
268.12094	11.4
269.12964	9.7
271.06070	1.7
271.14551	17.6
279.07767	7.4
279.11276	4.6
280.08530	20.4
281.09335	41.0
284.08170	1.8
285.08762	4.6
295.10904	56.4
296.11707	36.5
297.12363	14.0
299.10318	6.1
300.11038	1.4
311.10730	1.3
313.11972	3.9
327.13406	9.1
328.10730	10.2
339.09796	7.4
340.10614	5.9
371.12457	7.2
390.14337	4.8
391.15561	1.4
404.16153	4.4
463.17596	1.7
495.20032	2.4
567.26215	20.1
611.25195	100.0
612.25073	1.6
643.27814	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	644.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11437	0.5
58.02979	38.1
59.01372	1.2
61.98851	0.7
63.87313	0.6
70.02973	4.5
70.95937	0.6
72.00906	3.6
91.05513	6.6
101.02435	0.6
120.01258	0.9
135.04425	0.8
147.03352	1.1
147.04530	26.8
162.09160	0.8
163.30420	0.8
164.07178	87.6
206.08240	100.0
329.96481	0.8
406.56641	0.7
451.32379	0.7
552.37006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82645	0.6
70.30743	0.7
71.53503	0.7
81.11639	0.7
88.77358	0.6
94.21140	0.7
99.17553	0.6
103.52110	0.7
148.35504	0.7
283.26447	100.0
284.26758	1.0
288.56296	0.7
296.19495	0.6
324.81824	0.7
472.41229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27884	0.5
53.35480	0.4
58.02980	0.5
59.01394	0.6
60.96427	0.5
61.98843	0.6
63.96249	0.5
67.41114	0.4
71.01387	0.6
75.35927	0.4
85.02947	0.7
101.02463	0.6
106.69761	0.5
113.02516	0.8
114.39799	0.5
120.01249	100.0
133.01155	0.5
145.02940	0.8
190.08795	0.6
343.14127	1.1
438.56387	0.5
463.15457	0.6
491.19370	2.3
520.60132	0.6
521.20111	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	642.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27884	0.5
53.35480	0.4
58.02980	0.5
59.01394	0.6
60.96427	0.5
61.98843	0.6
63.96249	0.5
67.41114	0.4
71.01387	0.6
75.35927	0.4
85.02947	0.7
101.02463	0.6
106.69761	0.5
113.02516	0.8
114.39799	0.5
120.01249	100.0
133.01155	0.5
145.02940	0.8
190.08795	0.6
343.14127	1.1
438.56387	0.5
463.15457	0.6
491.19370	2.3
520.60132	0.6
521.20111	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	642.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87744	0.1
51.92578	0.1
55.01880	0.2
55.11931	0.1
58.11335	0.2
59.01380	1.1
61.98832	100.0
65.79160	0.2
69.45253	0.2
71.01380	0.4
72.01691	0.2
73.02940	0.2
86.09544	0.2
88.69860	0.2
101.02424	0.4
119.05002	1.9
124.74074	0.2
130.08762	0.3
156.58156	0.2
163.03987	0.8
166.06357	0.7
167.06721	0.3
172.09877	0.2
181.08745	0.3
182.08958	0.2
183.09224	0.2
237.42599	0.2
268.64090	0.2
279.11771	0.2
313.65793	0.2
342.48346	0.2
344.14371	0.7
345.14508	0.4
390.50095	0.2
502.65323	0.2
581.23663	0.9
582.24060	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	641.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76461	0.7
57.03463	1.1
58.00595	0.9
59.01385	20.9
61.98824	1.2
71.01397	12.3
71.05033	3.3
73.02953	1.6
83.01420	1.1
85.02962	4.3
87.00883	1.5
88.98853	0.8
89.02435	10.1
90.19991	0.7
92.10796	1.4
96.96021	1.5
97.02967	5.5
97.06570	2.8
99.00880	17.0
101.02462	10.4
101.66514	0.8
109.06597	1.4
110.03738	1.3
113.02444	3.8
119.03513	1.3
121.02943	1.2
123.08148	1.5
125.02431	1.7
125.09715	7.1
128.03577	1.1
137.02435	1.0
142.02702	1.0
143.03479	1.1
143.04596	0.9
146.08264	0.7
151.04039	0.8
155.14449	0.9
163.11298	11.6
165.05450	0.8
171.10277	6.1
181.12340	20.2
199.13419	13.8
202.69144	0.7
207.10286	39.9
221.06651	1.7
225.11356	63.8
226.11557	0.9
243.12383	31.2
397.13440	4.3
415.14767	1.6
461.20569	1.2
623.25916	1.3
641.26703	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	641.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11019	0.3
56.03440	0.4
69.03455	5.9
71.01380	0.6
84.02155	0.4
91.82781	0.4
93.03416	0.4
97.02945	40.2
97.06557	0.7
111.04517	2.3
125.06064	2.0
127.07640	0.6
152.00864	0.7
165.01773	0.5
165.12857	1.5
177.01561	0.5
178.02454	4.4
180.00444	0.5
181.12305	1.9
183.13899	0.7
191.03221	4.1
194.08662	0.3
195.13959	0.4
210.01482	6.3
211.13576	0.5
219.06409	5.8
219.39545	0.4
229.14587	0.5
230.19769	0.4
233.07927	1.4
233.11659	1.4
234.08672	1.5
261.08853	0.5
261.11081	22.7
262.11874	100.0
263.12250	0.9
267.12222	0.7
291.19711	7.0
294.10864	10.8
309.20764	9.7
313.17847	0.6
331.18970	76.6
332.19360	0.8
339.38895	0.5
425.38565	0.4
490.61496	0.4
503.49808	0.4
508.66788	0.4
511.78113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82662	2.1
57.03448	2.1
58.31016	1.9
59.01397	2.6
59.36243	2.0
63.35535	2.3
73.04958	2.3
84.89679	2.2
101.23585	2.3
111.08115	20.1
125.06075	2.6
128.40266	2.7
147.11778	11.6
165.12889	10.8
169.12308	5.2
197.11850	100.0
199.13261	3.1
209.67281	2.7
211.13385	5.4
215.10555	12.3
219.10106	4.8
233.11615	81.0
279.71631	2.4
291.19696	13.8
309.20767	83.7
313.17786	3.1
331.18948	4.6
358.60825	3.2
366.19269	2.5
641.40479	16.0
662.88361	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	641.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88942	0.5
51.85559	0.5
57.03479	0.6
60.38988	0.6
61.03057	0.6
69.03456	0.8
71.05015	0.6
71.09509	0.6
80.21308	0.7
81.90781	0.6
93.03478	4.0
95.05025	0.8
97.02968	2.7
107.05028	0.9
111.04534	1.0
123.08108	0.8
125.09743	1.4
137.09692	1.1
141.09236	0.8
163.11298	4.4
165.12914	5.7
165.14095	0.8
179.14493	1.2
181.12341	4.0
192.21161	0.7
193.08469	1.6
193.15926	0.9
207.10118	3.9
209.11865	1.4
219.10135	1.6
223.13391	4.0
231.09988	1.6
244.10806	2.7
245.19162	3.4
247.09550	1.0
247.20659	6.9
248.10214	6.7
262.12000	1.6
273.18634	1.3
287.16776	0.7
291.19672	50.7
295.16602	0.9
309.20749	47.1
313.14276	1.2
313.17899	32.9
331.18933	100.0
332.19202	0.9
448.51398	0.8
550.49078	0.7
641.40399	7.0
649.39227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51098	2.4
55.91146	2.4
99.92587	67.4
115.92080	54.5
116.92858	100.0
162.89275	2.7
170.92372	2.6
172.83041	2.9
262.78952	3.5
542.02191	3.6
621.34814	13.0
639.35754	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.4
61.98835	20.4
64.34537	0.2
70.24889	0.2
71.01388	0.5
73.02953	0.5
76.88004	0.2
78.21674	0.2
85.02973	1.4
89.02412	0.4
95.19892	0.2
95.64256	0.2
98.63428	0.3
101.02472	0.3
116.92909	0.9
117.03466	8.9
117.04279	0.5
121.02949	0.3
129.30373	0.3
131.01381	1.5
143.72539	0.2
161.02425	1.0
163.04031	1.3
173.02435	5.7
175.00388	8.8
175.14044	0.3
221.06206	0.3
230.87895	0.3
244.21115	0.3
249.05608	1.1
251.03607	0.4
265.05008	0.4
269.04636	1.5
280.52432	0.3
281.04605	1.1
282.05417	0.5
283.06107	5.7
293.04596	100.0
294.04941	1.5
295.05899	0.4
311.05655	9.0
314.04495	0.6
316.72318	0.2
323.05585	1.5
335.05887	0.6
341.06519	1.0
413.08847	16.7
457.11465	0.6
577.15741	36.6
578.16162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	1.0
57.03445	0.6
58.14445	0.6
59.01379	21.5
61.98845	0.7
62.18423	0.8
67.03572	0.7
67.65802	0.7
71.01378	12.3
71.05031	1.8
73.02947	1.6
81.03440	0.7
83.01376	1.5
85.02928	1.6
86.02481	0.9
87.00874	3.5
88.98807	0.7
89.02432	9.8
90.02235	0.7
95.01370	1.3
95.05022	0.8
96.96011	1.2
97.02933	5.4
97.06562	1.7
99.00871	15.3
101.02435	9.0
108.97341	0.8
110.03756	1.2
113.02462	4.7
116.92857	0.8
119.03532	1.7
121.02917	1.0
123.08206	1.0
125.02444	1.4
125.09703	7.3
128.03525	1.3
131.07100	0.9
135.08133	1.5
137.02383	0.9
142.02708	1.3
143.03519	0.8
143.04597	1.4
145.01311	0.8
151.03979	0.9
155.14372	1.1
161.04564	1.1
163.11278	11.2
171.10243	6.8
179.10774	0.9
181.12363	23.8
199.13412	14.9
207.10294	43.5
221.06645	1.2
225.11351	63.1
235.08084	1.0
243.12387	34.5
243.14890	1.4
313.07236	1.6
343.04395	0.8
348.08237	0.8
397.13437	3.9
415.14487	1.2
419.32843	0.8
447.93033	1.1
526.99066	0.8
641.26691	100.0
642.26727	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91731	0.5
51.12691	0.5
54.06243	0.5
55.01893	3.9
55.80876	0.5
57.03473	2.2
58.00600	0.6
59.01389	34.5
59.01691	1.1
60.99868	0.7
63.14188	0.5
69.03461	1.3
70.74008	0.6
71.01383	34.4
72.99319	2.8
73.02939	11.0
74.02493	0.5
74.50256	0.5
83.01394	5.8
85.02952	14.3
87.00891	2.6
89.02442	19.9
95.01398	3.8
96.44159	0.7
96.95990	0.8
97.02964	3.2
99.00877	2.5
101.02436	28.8
101.03094	1.1
107.35396	0.6
111.00904	1.0
113.02454	13.9
115.03963	0.9
119.03500	8.0
121.02952	17.5
125.02436	6.2
128.03540	0.7
130.08662	0.9
131.03580	0.7
133.05038	2.8
135.04535	2.5
143.03523	2.4
143.04527	1.7
150.43474	0.6
151.04005	1.0
151.67233	0.7
157.05049	0.8
159.03055	0.9
161.04562	10.4
166.06360	100.0
166.14383	0.6
167.06725	0.7
175.56647	0.6
179.05687	4.9
181.08716	49.9
182.09055	0.7
221.06647	2.5
234.67329	0.7
235.08214	7.5
263.07623	0.9
271.09830	0.7
285.11307	0.8
306.07645	1.0
323.09821	9.1
330.00467	0.7
381.24054	0.7
397.08295	1.1
397.13483	21.0
404.14905	0.7
417.17667	10.8
570.63300	0.6
579.23010	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76691	2.3
52.01958	2.0
54.82603	2.3
59.01394	2.3
61.98827	9.7
63.95573	2.4
68.06498	2.4
99.80779	2.5
102.99683	2.1
103.12105	2.6
155.10786	4.8
163.11171	2.4
165.12827	12.8
171.10188	3.4
183.13905	2.4
247.20644	15.3
283.26367	4.7
291.19678	100.0
309.20728	83.8
327.21649	20.7
355.23010	2.6
421.54056	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	637.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98493	1.1
55.37622	1.1
55.42443	1.3
93.80659	1.3
108.84013	1.4
133.54530	1.3
165.12865	1.7
181.12416	2.3
221.71890	1.3
222.85344	1.3
247.20520	5.1
255.23495	1.9
273.18820	1.5
281.21375	1.8
291.19672	40.0
291.22885	1.9
309.20755	100.0
338.44513	1.5
344.95047	1.3
559.49634	1.9
583.40155	8.6
601.41248	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	639.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51632	0.7
74.04207	0.8
79.95744	1.7
96.96004	100.0
111.40743	0.8
122.54659	0.8
148.74518	0.7
159.04483	1.2
167.02084	0.8
354.39999	0.9
541.11414	1.6
579.06201	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	639.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	39.6
71.01377	19.5
78.24973	1.5
85.02992	2.3
89.02454	27.5
92.46111	1.4
101.02435	16.2
109.02969	2.4
111.94438	1.3
113.02498	10.4
115.00368	1.6
119.03494	9.0
133.06604	3.3
139.07632	6.1
149.06024	2.0
157.68655	1.6
161.04660	1.7
174.05608	1.8
217.12294	2.0
244.09714	2.5
330.13196	7.3
331.14081	3.1
367.15967	1.6
397.17947	14.6
441.17728	100.0
441.23877	3.3
442.18082	2.1
465.17575	1.9
607.47473	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	637.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
57.03445	2.9
59.01385	48.0
60.55072	1.3
62.19302	1.2
64.35821	1.3
65.96054	1.7
71.01378	42.5
72.99319	2.0
73.02953	13.6
75.00882	2.3
75.96936	1.5
83.01392	11.6
85.02947	21.1
87.00894	1.9
89.02442	15.7
95.01417	1.8
99.00877	2.8
101.02441	42.8
113.02439	18.0
116.92876	3.2
119.03481	5.1
125.02374	1.6
127.03981	2.3
129.01920	1.8
131.03424	2.2
143.03487	1.5
161.04538	17.4
269.10376	13.1
303.11215	1.7
412.73022	1.7
415.16251	23.4
577.21466	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	637.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76000	1.1
53.46582	1.1
59.01391	31.6
59.05025	1.3
60.01721	1.5
60.02015	1.5
65.20116	1.3
71.01398	8.6
73.02972	1.8
78.98608	3.4
79.95767	8.8
80.96520	66.9
85.02982	1.9
92.98524	1.8
94.98079	17.0
106.98096	1.6
122.97578	6.0
125.02520	1.9
134.97566	6.5
141.01726	8.6
146.86479	1.7
148.99176	6.7
151.20801	1.5
152.98636	7.2
164.98618	13.6
206.99767	3.1
225.00754	19.2
230.60562	1.5
232.17006	1.7
255.23419	2.5
299.04425	6.9
365.10831	1.8
555.19897	3.7
555.28528	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	637.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	23.5
61.98845	13.1
70.61275	10.8
71.01404	18.4
73.71661	12.4
78.25016	9.9
89.02461	60.2
101.02438	11.6
113.02468	16.9
117.70579	12.0
143.03464	13.7
171.10287	26.1
205.04240	12.7
277.21811	100.0
282.74326	13.1
289.18124	24.2
307.18985	16.8
329.23300	24.2
341.11151	45.2
519.59058	14.6
637.29669	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	637.3725
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12,15-octadecatrienoic acid
Peak:m/z	Relative Intensity
54.82858	4.8
61.98837	7.4
65.70295	4.4
66.45722	4.0
66.49534	4.2
76.82626	5.3
78.95896	96.8
152.99591	69.0
156.93051	4.4
171.10298	5.5
191.14381	4.9
201.11276	10.9
209.11865	27.4
227.12914	5.5
245.18942	9.7
255.23322	100.0
274.71240	5.3
289.18188	36.3
291.19644	19.1
307.19153	64.4
308.19278	6.9
325.20123	9.8
334.62234	5.2
348.32034	5.4
391.22437	5.8
397.89935	5.8
409.04269	4.9
542.03345	5.4
550.70850	4.8
553.49036	7.4
619.35901	25.5
637.37244	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	635.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97456	2.6
59.01387	20.7
60.99314	4.4
71.01392	18.2
73.02946	3.1
76.89128	2.6
79.66492	3.1
85.02947	2.9
87.00875	4.0
88.98813	28.3
89.02451	15.7
92.65881	2.9
101.02440	9.7
144.80988	2.6
147.47453	2.9
195.13885	4.5
293.21188	14.1
295.22800	16.8
311.22327	100.0
317.21329	29.5
335.22278	12.7
413.25385	11.9
473.27661	16.6
635.32800	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05838	4.5
51.52871	4.4
59.01408	8.4
61.98821	24.9
70.94811	5.2
71.01404	5.2
73.53957	5.2
81.31781	5.3
88.98832	11.9
91.19784	6.0
122.29972	5.8
123.91255	5.0
128.03548	21.7
140.68774	5.0
157.97772	8.1
183.99252	37.5
190.93216	5.5
192.99301	9.2
204.09424	5.2
208.98764	8.7
241.01489	23.1
271.06161	5.9
292.02429	7.3
295.06564	5.9
296.08398	6.0
310.03775	23.2
312.07706	5.2
321.35938	5.7
342.00943	7.0
357.43375	7.2
388.85742	5.8
448.93640	6.3
489.29117	6.6
636.22961	100.0
636.32819	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	636.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82318	0.8
59.01386	1.1
71.01401	0.7
73.02960	0.9
77.19561	0.6
81.33222	0.6
99.92560	8.2
116.92855	100.0
116.97222	6.5
117.01952	1.5
117.92921	0.9
128.03508	0.8
143.04628	1.3
147.62712	0.7
152.59419	0.6
175.80389	0.7
235.52805	0.6
277.21692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17586	0.3
56.55121	0.3
58.02985	18.8
66.41954	0.3
70.02983	6.9
72.00912	4.0
82.41953	0.3
87.96659	0.3
91.05530	10.1
96.96004	6.9
98.89964	0.3
118.72963	0.3
135.04504	0.5
147.04529	35.8
162.09210	0.7
164.07179	81.7
165.07516	0.5
174.05556	1.4
206.08241	100.0
207.08559	1.3
238.17059	0.3
250.07291	1.4
252.11610	0.3
269.34802	0.3
277.08673	0.3
282.84311	0.3
330.04492	0.3
378.18808	0.3
436.66144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83209	1.3
55.01892	2.7
59.01381	57.9
64.88778	1.5
68.46040	1.5
71.01380	55.8
72.99325	2.5
73.02956	7.5
80.57637	2.0
83.01418	3.4
83.05206	1.5
85.02959	13.0
87.00890	3.6
89.02440	45.4
92.66470	2.0
95.01395	2.3
96.96034	9.1
101.02437	32.4
113.02456	17.0
116.92865	3.6
119.03501	16.7
121.02971	2.0
121.17040	1.5
125.02539	2.3
133.05096	3.3
137.06079	4.2
143.03502	2.7
146.03748	68.0
161.04593	14.1
161.06094	21.2
164.04796	48.4
167.03500	1.7
179.05594	9.8
179.07115	100.0
204.10869	1.7
223.06145	1.7
235.08260	9.5
323.09976	3.7
395.15918	2.8
397.13519	28.9
415.16077	13.4
456.83987	1.8
577.21436	55.7
593.26440	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	635.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72855	0.9
59.01382	3.0
66.81612	1.0
71.61774	1.2
82.02991	7.6
94.03031	1.1
96.04584	2.1
110.06112	2.2
112.04063	2.4
120.04533	7.3
122.06136	1.8
129.05579	1.7
135.03369	1.5
135.46248	1.2
135.71260	1.3
136.07732	9.4
138.05609	1.6
138.09225	5.7
147.04578	2.5
147.05673	1.2
148.04054	51.0
150.05615	33.3
154.05086	2.3
154.35403	1.3
159.08165	2.2
160.02815	2.4
160.04031	18.1
161.04826	100.0
162.05568	7.4
164.03513	2.5
173.03531	6.8
173.06082	1.7
174.04321	13.8
174.05638	6.4
175.05124	74.2
175.06357	4.4
176.05879	8.2
177.06772	1.5
186.05486	2.0
187.06374	2.3
188.03395	1.4
188.07088	1.7
189.06700	6.3
190.07413	14.5
190.08878	1.2
191.08263	10.8
200.07104	1.7
201.09320	2.7
202.08894	14.1
203.04651	14.3
203.08371	2.1
213.10349	1.4
214.05074	2.0
214.10985	1.7
215.05916	2.5
215.08272	2.9
216.06720	6.5
216.10384	1.5
217.07436	1.3
218.05807	1.2
219.11447	1.5
228.06552	1.8
229.07513	2.0
231.07758	1.3
232.08551	15.5
233.09331	32.8
239.11855	6.6
241.09912	2.3
243.07608	1.6
244.09831	90.6
245.09326	8.7
255.11366	2.6
257.09338	4.7
263.10266	1.5
269.13025	1.3
270.07587	1.4
286.09576	2.2
287.10495	5.8
287.13907	1.5
288.08813	13.8
295.10776	2.1
305.11429	23.2
338.11609	11.6
348.17206	6.9
361.96320	1.3
370.17621	4.5
400.18777	2.0
424.18591	2.1
442.19876	8.6
454.19858	8.0
455.18503	1.5
467.16901	1.6
468.17807	63.0
469.81741	1.4
472.20758	14.0
504.80869	1.2
563.25134	1.4
587.25360	1.6
605.26678	12.7
635.27173	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	635.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.88045	0.6
69.58977	0.6
76.58417	0.8
81.10333	0.7
93.34805	0.8
109.92867	0.7
113.39266	0.8
117.17766	0.7
121.21581	0.6
152.99565	0.9
154.31569	0.7
155.23665	0.7
160.79132	0.7
174.86887	0.7
177.88754	0.7
177.90404	0.8
209.98961	0.7
247.26370	0.8
432.88919	0.8
545.22888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43874	0.6
57.03457	1.0
59.01385	6.0
60.98864	0.8
61.98855	1.2
71.01397	1.0
72.57063	0.9
82.02997	11.2
83.01401	0.8
89.02444	0.8
92.10738	1.6
93.03482	0.9
96.04568	1.7
96.11156	0.8
96.96005	1.8
108.04546	3.2
110.06116	1.8
112.04031	1.7
113.06092	23.3
118.03011	0.9
120.04572	9.4
121.06567	1.5
122.06108	3.2
129.05566	3.9
132.04637	1.1
134.06125	1.5
136.07700	8.1
138.05603	1.3
138.09254	4.7
147.03340	1.0
147.04512	2.0
147.05644	1.6
148.04063	62.2
148.07651	0.9
149.04889	5.9
150.02000	0.9
150.05621	44.4
154.05092	3.5
159.08206	1.5
160.02750	1.7
160.04050	17.2
161.04832	100.0
162.05649	8.2
164.03528	5.6
165.05486	0.9
173.03546	7.0
173.04800	2.1
173.06090	1.0
174.04323	16.0
174.05629	7.7
175.05125	90.2
175.06367	5.7
176.05904	9.1
177.06572	1.0
186.05579	4.3
187.06467	6.8
188.07169	3.2
189.06635	7.8
190.07448	20.2
191.08275	11.8
200.07205	3.9
200.10890	1.0
201.07819	3.6
201.09265	4.8
202.08839	16.9
203.04645	19.9
203.08250	2.0
204.06694	1.8
213.06616	1.0
214.11133	3.6
215.06105	1.4
215.08144	2.7
216.06694	11.3
216.10333	1.5
217.07506	1.3
217.09795	0.9
219.11382	1.3
226.69328	0.9
227.07249	1.7
228.06631	3.2
229.07498	4.4
231.07753	3.6
232.08553	19.5
233.07022	1.9
233.09328	39.6
234.07709	0.9
242.08292	1.8
243.07837	1.6
243.11395	1.9
244.09854	98.8
245.09309	12.7
246.07710	1.0
263.10443	1.6
268.08539	1.2
286.09656	4.6
287.10349	8.8
287.13989	4.4
288.08783	10.1
289.09503	1.6
295.10916	1.9
305.11493	29.3
312.13501	2.8
317.11621	1.4
317.14996	1.3
337.10522	1.0
338.11536	12.3
359.14886	1.7
370.17734	3.9
382.17719	1.3
396.15549	1.2
400.18777	1.6
424.19138	1.3
442.19812	7.5
450.16324	1.2
454.19818	1.4
467.16513	1.4
468.17871	68.3
470.19281	1.1
472.20963	15.8
521.33264	1.0
587.25452	1.4
605.26245	14.9
617.26074	1.1
635.27734	12.6
651.59784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3655
Annotation	Unnarmicin A
Peak:m/z	Relative Intensity
54.85861	1.2
57.53931	1.1
59.01405	1.5
62.54732	1.1
68.99847	3.0
79.35892	1.3
81.19919	1.5
87.07747	1.5
116.92912	1.7
145.02930	3.3
152.99666	1.7
159.04529	2.9
160.05278	1.8
161.02388	1.6
173.02452	2.2
173.06039	13.6
174.03194	2.9
175.03995	2.7
187.03979	8.5
188.04837	6.9
189.02005	1.8
189.05539	7.9
199.07652	1.7
201.05586	17.2
202.02699	7.6
202.06400	20.4
203.07152	21.6
205.05177	2.6
214.02794	1.6
215.03484	6.4
216.04340	7.7
217.05128	2.6
217.08691	7.0
227.07248	2.7
229.05054	11.3
230.05864	12.8
231.06599	21.6
243.02988	3.5
243.06635	2.0
245.04370	1.8
245.08205	10.9
246.09004	2.9
271.22812	16.2
272.06836	10.5
287.09244	6.6
309.75778	1.5
399.87006	1.6
455.24634	1.8
483.27448	3.3
501.28806	3.4
541.31769	10.2
559.32434	2.0
574.31567	3.2
589.33667	7.9
633.36584	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	633.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.0
59.01383	2.5
71.01387	2.7
83.05053	3.6
89.85165	1.9
91.18838	1.9
94.49882	2.3
95.05017	2.3
96.35521	2.1
97.06644	2.8
99.08126	2.2
99.92596	3.2
100.33395	2.0
105.25970	2.3
111.08156	2.5
115.07632	2.5
116.92838	17.6
117.92892	10.4
118.92668	4.5
118.96976	2.9
125.09764	4.2
127.07632	8.9
139.07721	4.0
153.09210	11.7
163.11346	8.0
171.10222	18.3
178.10057	2.5
181.12357	2.5
185.11836	17.6
191.14421	4.7
197.11848	16.0
202.41508	2.2
209.11861	66.0
238.24620	2.4
239.16260	2.5
239.43690	2.2
245.19104	12.5
250.56865	2.4
276.60501	2.4
289.18140	42.0
307.19177	100.0
325.20285	64.0
380.15005	2.6
607.02271	2.5
615.39764	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	633.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95838	1.0
57.03460	3.3
58.58594	1.2
59.01384	58.5
61.60617	1.1
61.61575	1.1
64.34985	1.3
68.74484	1.2
68.97466	1.2
69.03489	1.2
70.77280	1.1
71.01379	40.2
71.01723	1.8
72.99316	1.9
73.02962	7.7
83.01357	1.4
85.02972	6.3
87.00871	12.4
89.02438	30.5
92.65840	1.7
95.01397	2.5
97.02967	1.3
97.06581	1.5
101.02439	22.5
113.02455	11.1
113.09680	1.3
116.92858	22.6
119.03490	5.4
124.01723	1.3
125.02407	2.3
133.38309	1.4
139.91978	1.4
141.09230	1.4
165.12878	7.7
171.10284	5.3
179.05692	1.9
181.12320	3.0
205.12367	2.4
211.13467	2.1
247.20753	3.3
260.90729	1.4
269.57111	1.4
271.20676	6.2
273.18649	2.3
281.21207	1.8
284.24954	1.4
291.19669	45.0
293.21313	24.5
309.20758	77.4
315.19760	16.6
327.19641	1.4
333.20755	16.7
341.10852	2.6
345.20801	5.7
363.21884	2.8
375.21344	1.7
381.23007	6.2
397.21738	1.5
411.23889	12.0
453.24991	8.7
471.25980	13.6
633.31409	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	633.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69234	1.2
59.01383	14.2
59.13083	1.5
61.98821	6.1
71.01385	3.0
82.02992	3.3
88.17455	1.5
88.98788	1.5
89.02441	2.9
89.67595	1.7
92.10079	3.3
96.96033	1.8
108.04519	1.7
113.02460	1.8
116.92868	2.3
120.04507	5.8
134.06125	2.1
134.54439	1.7
136.07634	18.6
148.04065	38.6
149.04866	11.9
150.05621	42.8
153.30147	2.0
154.05092	1.7
160.04082	2.7
161.04802	13.0
161.07135	2.2
162.05577	2.0
162.09299	1.7
163.02748	3.3
163.51746	1.5
164.03494	10.0
166.08687	2.9
173.03558	15.9
174.04344	43.8
174.05727	3.3
175.05096	14.8
175.06425	8.4
176.05873	1.5
186.05588	2.2
187.06342	7.1
188.07204	2.8
189.06731	25.9
189.21404	1.8
190.07463	47.1
191.05971	2.3
191.08327	3.8
200.07167	3.8
201.07970	3.5
202.07217	5.0
202.08966	4.6
213.06682	2.6
213.10336	2.8
214.11153	8.4
215.08281	9.0
215.11966	14.7
217.07779	2.6
217.09935	6.8
228.06664	2.7
231.07765	28.5
232.08556	59.0
233.09435	12.5
239.08272	2.0
241.09853	46.4
242.08188	3.5
243.07707	8.0
243.11336	1.8
244.08258	17.0
245.09285	3.9
259.10889	9.5
262.09531	3.3
267.07748	3.8
268.08444	2.4
285.08865	11.7
286.09720	12.1
287.07541	1.9
287.10461	3.2
289.09561	2.5
303.09970	17.9
304.10657	2.6
315.13553	10.3
340.12857	1.9
369.14337	2.4
391.16559	1.9
398.17249	24.3
407.02243	1.7
411.20459	3.3
434.17026	2.3
452.18451	17.2
453.16983	3.5
467.16660	3.7
470.19382	100.0
497.49872	1.9
561.24042	2.9
615.24255	3.7
633.25739	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77019	1.1
57.03458	1.9
59.01376	12.1
61.98843	2.6
71.01392	3.2
79.74697	1.3
82.02988	6.1
83.01380	1.8
85.02979	2.0
89.02475	2.4
96.96004	1.8
99.04517	1.5
101.02455	1.5
108.04561	2.4
112.32697	1.3
116.92838	2.8
120.04600	3.5
128.88666	1.4
136.07678	7.6
146.02533	1.9
148.04053	37.6
149.04825	15.1
150.05620	41.5
154.05107	3.2
154.08759	3.0
160.04053	7.2
161.04836	15.3
162.05606	2.9
163.02744	2.5
164.03595	10.6
164.91217	1.4
166.08733	2.7
172.04051	1.5
173.03551	16.1
174.04352	36.8
174.05652	4.0
175.05077	11.7
175.06384	7.0
186.05588	3.4
187.06387	2.1
188.07248	2.1
189.06723	23.8
190.04967	1.8
190.07472	44.4
191.08231	6.9
200.07104	5.3
201.07948	6.7
202.07457	8.1
202.08997	2.9
203.08286	2.4
207.13873	1.5
214.11154	3.0
215.08203	5.7
217.07545	5.6
217.09892	6.2
224.07195	1.9
224.14313	1.4
228.06686	3.1
231.07727	29.8
232.08539	46.2
233.09245	7.8
239.11916	1.7
241.09882	3.3
242.08345	2.6
242.10611	2.7
243.07785	7.3
244.08331	20.7
245.09286	7.6
255.07805	1.7
263.10388	1.9
267.07751	2.7
268.08499	2.4
285.08780	2.8
286.09564	8.7
303.09930	4.8
304.10458	2.4
315.13446	13.7
340.13254	3.4
345.14792	3.2
360.17276	9.0
362.18784	2.4
363.16199	1.8
398.17227	26.9
409.17767	2.6
410.17188	10.8
411.20575	10.3
428.18546	3.3
434.17224	3.1
452.18359	17.0
453.16681	6.0
467.17075	6.2
470.19409	100.0
503.20081	1.7
554.64923	1.6
559.25592	6.2
561.23492	2.2
573.23993	1.8
603.24738	7.6
615.24762	7.0
633.25879	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	1.0
59.01392	2.4
63.74197	0.5
88.30612	0.5
91.24409	0.6
92.10873	0.8
96.96031	0.6
124.27832	0.5
128.10844	3.3
130.08739	100.0
172.09804	67.7
194.50630	0.5
197.38220	0.6
216.08810	1.2
341.13528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61322	0.4
58.02977	9.0
59.01385	0.5
61.98833	2.7
66.03481	0.5
70.02966	0.9
70.14913	0.4
71.01402	0.5
72.00922	1.1
74.02471	16.6
74.90591	0.4
81.04551	0.8
82.02991	2.4
83.01424	0.5
84.04553	0.8
86.02480	7.0
86.06124	0.7
86.99110	0.9
87.05642	5.7
88.68233	0.4
90.00196	2.4
93.03454	0.6
97.04079	2.5
99.05640	17.0
100.00414	0.8
101.07223	3.0
102.05615	3.1
107.06220	0.6
109.04058	3.0
109.07738	1.0
111.05643	0.5
112.04073	2.5
113.03577	1.6
116.01783	0.9
119.05030	2.1
123.05666	1.8
125.03557	0.9
125.75111	0.4
126.01987	0.5
127.05165	4.0
128.03537	44.3
129.99709	0.7
131.04599	0.9
135.05641	5.4
141.06731	3.9
143.04630	61.8
145.06187	2.5
146.04596	4.4
153.06689	5.9
155.08272	0.8
160.00740	14.2
163.21864	0.5
166.06363	0.7
166.09906	3.1
167.04597	5.4
167.08238	2.9
171.04124	0.9
175.00365	0.7
177.03398	4.5
179.04613	11.3
181.06235	1.9
184.10910	0.6
185.05669	2.6
192.07742	0.9
197.05690	1.7
199.07309	0.5
210.08855	12.5
227.70166	0.5
242.07869	2.5
254.07835	11.0
271.06052	0.6
272.08871	16.9
288.06601	6.2
295.06323	0.5
306.07690	100.0
412.23404	0.5
450.13052	0.5
544.97760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29308	0.8
52.08719	0.7
59.01398	1.3
61.82437	0.7
95.05014	1.3
116.92862	1.4
119.05048	1.7
122.06110	9.3
136.07713	1.5
138.09290	0.9
144.04553	3.6
146.06108	1.6
160.04010	1.8
161.04854	15.5
162.05624	1.6
170.73773	0.7
172.04050	5.8
174.05605	4.5
175.06346	3.3
181.57458	0.8
189.04337	1.4
190.05049	2.9
198.07913	0.9
204.06676	18.9
209.10823	1.7
210.07930	0.9
211.05051	1.6
211.08766	3.9
212.05928	30.1
212.09335	1.7
213.10345	3.0
223.08772	0.8
224.09332	1.1
225.06718	9.3
225.10269	3.5
227.11777	1.4
228.12811	2.7
229.09761	0.8
230.10521	1.1
237.07959	1.4
237.10329	27.5
238.08716	3.7
238.10927	0.9
239.08282	22.5
239.11893	1.6
240.09073	6.7
241.09796	1.7
251.08307	4.7
251.11874	3.4
252.05414	1.0
252.08731	0.9
252.10130	3.8
252.12660	25.9
253.06192	29.9
253.09833	26.7
254.10490	1.8
255.11429	11.6
258.13751	1.2
259.14526	13.0
263.08356	0.8
264.09045	1.7
265.06125	2.9
265.09509	0.8
266.06976	8.6
266.10361	0.7
267.07751	32.7
267.11346	16.6
268.08572	20.0
268.12161	23.7
269.12918	1.5
277.09814	1.0
278.10480	1.6
279.07761	7.5
279.11389	4.2
280.08517	21.0
281.09344	62.8
284.12982	1.0
285.08835	10.5
295.10886	45.5
296.11691	68.7
297.12338	5.7
299.10364	21.5
300.11136	8.5
313.12045	12.9
327.13513	16.1
328.10538	2.9
328.14175	1.7
339.09998	6.8
340.10672	22.9
341.11404	1.0
358.11813	1.1
371.12558	14.2
372.13339	25.5
373.13962	1.3
390.14587	1.9
418.17694	1.4
420.19342	1.6
463.17474	1.0
466.15982	1.0
486.33789	0.9
495.20117	5.5
496.20828	4.4
539.54614	0.9
555.26233	4.2
599.25330	21.6
621.36206	1.0
631.27850	100.0
632.27979	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	633.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35627	0.5
57.03460	26.3
59.01389	3.1
60.99298	0.5
66.54095	0.4
78.95908	0.8
83.24017	0.4
85.13766	0.4
88.98802	3.8
99.04498	6.8
101.02445	2.8
108.02155	0.9
112.47430	0.4
114.80130	0.4
121.02959	2.9
122.03725	5.9
125.02451	5.4
134.03709	0.6
136.05313	1.9
149.02495	0.5
154.02721	0.9
164.04793	7.7
168.04311	1.6
174.06888	3.5
175.07625	8.6
176.08434	5.7
189.05563	0.5
189.09189	0.9
190.06384	8.7
191.07118	2.8
193.05052	0.9
208.07411	2.5
222.08810	0.5
232.91899	0.5
282.09247	0.7
284.51599	0.5
312.13797	3.9
327.16040	100.0
328.16504	0.8
330.24454	0.5
401.74191	0.5
449.55823	0.5
471.20126	3.3
489.21127	1.0
531.22614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94112	0.1
56.41735	0.1
59.01393	0.3
64.34611	0.1
73.02956	0.8
87.92776	0.1
99.00871	0.7
99.92581	10.1
112.22679	0.2
114.93408	0.3
116.92857	100.0
116.97247	4.6
117.01942	1.5
117.05525	0.2
117.92870	0.7
121.14018	0.1
128.58853	0.1
218.43909	0.2
239.70177	0.2
278.97565	0.2
373.99820	0.2
605.13934	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	631.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25148	0.2
57.50907	0.2
59.01386	0.5
61.98835	0.4
63.56131	0.2
73.02968	0.5
80.35347	0.2
92.10093	0.6
99.00878	0.3
99.92589	10.1
114.44769	0.2
114.93394	0.4
116.92863	100.0
116.97243	4.6
117.01945	1.3
117.92866	0.5
147.76042	0.2
207.49637	0.2
229.46721	0.2
307.16187	0.3
347.22229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93812	0.5
57.81011	0.6
59.01373	0.7
95.05004	0.8
107.03853	0.6
116.92846	0.7
120.46255	0.5
122.06130	6.4
124.53196	0.6
124.58570	0.7
129.80727	0.5
134.06131	1.5
136.07634	1.3
138.09302	0.8
144.04543	2.7
146.06122	0.9
151.00330	1.1
160.04070	2.4
161.04846	14.5
162.05563	1.2
163.06432	0.7
172.04013	4.3
174.05574	4.3
175.06409	1.5
189.04317	2.8
190.05090	1.4
204.06685	14.9
209.10738	0.8
211.05136	1.2
211.08774	3.9
212.05946	28.8
212.09540	3.0
213.10333	4.9
215.08194	0.7
221.32198	0.7
223.08765	0.7
224.09288	1.0
224.11078	1.1
225.06664	8.1
225.10356	2.7
226.07404	1.3
226.10977	0.7
227.08275	0.7
227.11900	3.0
228.12718	4.9
229.09816	0.8
230.10585	1.2
237.08095	1.0
237.10339	29.5
238.08902	2.5
239.08276	25.7
239.11984	2.6
240.08987	7.9
241.09961	1.2
243.11378	0.7
245.26509	0.7
251.08313	5.2
251.11893	4.6
252.05566	0.8
252.09053	4.3
252.12677	22.3
253.03519	1.1
253.06184	32.0
253.09818	26.0
254.10500	1.3
255.11426	11.0
258.13779	1.0
259.14529	8.8
263.08258	0.8
264.08972	2.7
265.06229	3.2
265.09836	0.8
266.06961	9.8
267.07755	34.2
267.11346	14.2
268.08560	19.4
268.12170	21.7
269.12997	1.9
271.05942	0.8
277.09836	2.3
279.07785	7.4
279.11377	5.0
280.08542	23.9
281.09335	71.0
282.09933	1.2
283.07162	0.8
284.12814	0.8
285.08826	13.9
293.09241	0.8
295.10898	59.2
296.11679	64.3
297.12473	6.5
298.09613	0.9
299.10397	24.3
300.11105	8.1
313.11978	12.3
327.13559	14.4
328.10654	3.5
328.14410	2.4
339.09854	11.7
340.10641	22.0
341.10974	0.7
371.12497	15.6
372.13306	28.6
373.13995	2.8
390.14682	2.3
391.01947	0.7
420.19275	2.4
464.18555	0.7
495.20084	6.9
496.21100	4.7
555.26373	3.1
599.25116	12.7
631.27820	100.0
632.28058	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	631.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36616	0.8
57.03468	0.9
60.99311	7.7
65.00335	4.2
68.99842	1.1
71.95690	1.2
79.42629	1.0
80.40697	1.0
83.01385	1.4
88.98811	39.0
88.99345	1.7
92.10191	1.8
96.81626	0.9
107.01402	4.6
117.03465	1.2
119.05032	19.0
125.02444	7.1
133.02850	1.3
143.05046	10.3
145.02969	5.5
151.00383	14.4
155.04915	1.1
157.06580	15.0
159.03171	2.2
159.04515	61.1
161.06058	2.1
175.07626	2.2
177.01959	5.6
183.04533	8.7
185.02452	11.0
185.05998	4.4
187.04022	6.4
199.07649	11.3
201.05591	54.4
203.07147	1.2
225.05603	8.3
227.03490	6.0
229.05028	8.7
243.06619	21.0
251.03400	1.2
267.06653	1.8
269.04611	2.1
311.05624	11.9
345.07648	2.1
345.11252	1.3
351.08948	2.2
353.06693	4.1
363.08682	4.4
389.10300	28.7
391.29892	1.1
395.07721	6.1
395.53607	1.2
415.08319	12.9
532.91333	1.1
541.11450	100.0
542.12262	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	629.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25202	2.0
52.30869	1.8
55.76573	2.3
59.01391	3.0
61.98832	26.3
100.94054	2.3
108.09725	2.4
116.92850	4.9
121.02934	5.2
162.06837	4.4
168.36589	2.4
174.06836	3.0
180.07884	5.0
255.94469	2.3
284.91782	2.8
285.20758	73.7
290.95889	2.7
295.09772	3.2
310.12173	3.3
331.15527	8.9
599.36005	9.3
611.36182	4.6
629.36963	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	630.271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	14.1
59.01393	4.9
60.36616	3.0
61.98840	6.3
62.43666	2.5
64.56480	2.5
74.02458	26.5
74.89320	2.5
79.30634	2.5
79.99207	2.6
80.74281	2.6
82.03001	4.7
86.02490	17.0
87.05665	4.6
87.99926	4.9
91.06630	2.7
93.03427	3.6
96.35348	2.7
97.04063	5.2
99.05620	26.4
101.07285	3.2
102.05640	6.6
108.02185	4.5
111.05659	4.5
119.05031	60.6
120.05383	14.5
125.09689	3.0
128.03537	89.3
131.01379	3.5
135.05611	6.6
135.08229	3.2
141.06854	3.5
143.04628	100.0
145.02956	3.6
145.06219	11.2
146.03717	12.5
146.04694	3.7
147.04218	4.1
151.00377	3.7
159.00844	5.4
160.00690	5.8
164.04811	5.7
175.00348	23.3
175.41100	3.4
179.04684	25.5
179.06984	4.2
185.03925	2.8
187.00398	13.3
205.01419	21.8
210.08957	20.7
229.09062	6.3
254.07869	19.8
266.06192	3.6
272.08929	47.4
295.06113	4.6
296.06552	6.2
304.06259	13.1
305.17694	4.4
306.07733	15.9
307.12332	3.1
324.77429	2.7
325.07181	18.6
326.07651	16.4
336.85733	3.0
339.16394	19.1
449.12146	5.6
450.12744	25.7
614.87250	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	630.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41464	0.2
51.27451	0.2
53.94891	0.2
54.82261	0.2
58.02989	8.8
58.13084	0.3
59.01422	0.3
61.98825	0.4
66.03498	0.4
70.02983	1.5
70.34672	0.3
72.00914	1.5
74.02472	15.9
78.31990	0.3
81.04575	0.6
82.02995	3.1
83.02522	0.3
84.04565	0.5
85.04074	0.3
86.02483	7.2
86.06125	1.6
86.99103	1.8
87.05631	5.7
88.04050	0.5
90.00193	1.7
97.04071	2.6
99.05640	17.1
100.00408	0.4
100.04031	0.4
101.07204	3.0
102.05592	2.7
107.06174	1.1
109.04087	2.8
109.07744	0.5
110.02465	0.4
111.05645	1.6
112.04040	2.8
113.03578	0.5
113.07311	0.3
113.94749	0.3
116.01775	1.6
123.05669	2.3
124.04042	1.3
124.07722	0.3
125.03561	2.0
127.05138	3.2
128.03534	45.6
129.99690	0.7
131.04605	1.7
135.05627	5.5
135.09169	0.3
137.07191	1.4
139.05144	0.4
141.06708	4.7
141.84818	0.3
143.04626	65.4
144.01237	0.4
145.06198	2.9
146.04582	4.7
149.07173	0.4
151.00395	0.4
153.06691	5.9
155.08240	0.7
158.95348	0.3
159.99457	0.6
160.00742	14.1
166.09857	2.4
167.04599	5.5
167.08273	2.4
170.03276	0.4
171.04088	0.4
171.07753	0.5
177.03398	4.7
179.04640	12.0
181.06183	1.9
184.10910	0.7
185.05661	2.0
189.63963	0.3
192.07774	1.4
197.05728	2.2
198.08871	1.5
209.11761	0.4
210.08871	12.2
228.09898	0.3
231.04498	0.3
242.07797	1.3
250.14737	0.3
254.07852	10.5
266.85254	0.4
272.08893	17.7
288.06595	5.7
306.07675	100.0
307.07819	0.5
475.85168	0.3
557.09784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21206	0.2
58.63082	0.2
59.01385	0.3
73.02942	0.4
84.95138	0.5
99.00838	0.5
99.92588	8.4
116.92860	100.0
117.01924	1.5
117.92927	0.4
207.10539	0.3
211.13326	0.4
320.56320	0.3
382.42496	0.3
387.29208	0.3
448.40115	0.3
495.24176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60777	0.6
53.39799	0.6
59.01392	100.0
59.45559	0.7
61.39856	0.6
61.47476	0.6
61.98845	1.7
70.01939	0.6
77.19429	0.7
96.99285	1.3
106.36840	0.6
111.48556	0.7
116.92863	0.8
141.01706	37.1
144.27904	0.7
251.20316	1.1
285.20709	0.8
298.18304	0.9
509.25998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41585	0.7
58.92720	0.8
59.01384	100.0
60.52031	0.9
61.98843	1.5
78.20152	0.8
96.99310	1.8
116.92801	1.0
141.01698	39.0
251.20210	1.9
275.06348	1.6
285.20822	1.4
303.20908	1.0
342.69559	1.0
377.50879	1.0
394.44901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
114.93403	79.1
121.59592	73.3
124.73041	64.1
125.00544	67.2
130.08792	70.6
141.23210	56.3
164.74001	71.5
190.48656	70.9
203.04236	67.9
214.16458	82.5
218.65176	71.8
241.60701	73.2
295.56052	79.1
309.20889	100.0
344.90021	76.6
478.64828	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31971	0.6
59.01384	14.9
60.99323	1.5
71.01402	4.4
75.00877	0.6
76.99586	0.7
78.23429	0.8
83.01395	0.7
85.02941	1.5
86.34898	0.8
87.00874	0.9
88.98820	11.9
89.02455	3.5
94.43881	0.7
96.96039	3.6
97.02964	0.8
101.02460	3.1
109.02950	0.9
113.02446	1.1
116.92860	1.1
119.05029	1.4
121.02888	0.8
125.02449	2.9
133.02954	20.4
134.96748	0.8
135.04524	1.4
137.02391	0.9
140.83163	0.7
147.04553	1.7
149.02397	0.9
151.04051	1.4
158.34448	0.8
160.53275	0.8
160.54619	0.7
161.02412	1.5
161.04585	0.8
163.00404	2.7
163.04007	4.1
165.01974	1.1
171.10271	18.7
173.02426	3.1
175.00362	8.2
175.03998	4.2
175.98764	0.8
176.00359	0.7
177.01958	0.9
179.03523	1.0
182.71243	0.8
191.03506	1.8
193.01402	1.6
201.01982	1.5
213.05594	1.2
227.03496	1.0
237.05659	0.8
241.05078	1.5
251.82538	0.8
253.05089	2.7
254.99783	0.8
255.03169	1.7
265.05124	1.3
267.02975	3.7
269.04788	0.8
281.04578	3.5
283.06125	3.3
284.03275	10.3
285.04056	9.3
291.03177	1.0
297.04083	26.7
298.04922	19.3
299.05624	21.6
309.04089	86.5
310.04468	1.5
311.05579	8.4
325.03421	0.9
327.05154	99.0
328.05493	1.5
339.05151	5.3
357.06219	35.4
369.06299	3.0
397.13666	9.2
415.14578	2.9
429.08459	11.5
431.10095	2.7
431.17010	1.0
473.10974	13.6
593.15228	100.0
594.15216	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	629.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86408	0.3
53.51760	0.4
54.18442	0.4
59.01394	1.9
60.99308	2.0
71.01385	0.4
77.03981	2.8
79.01916	0.8
88.98801	7.6
89.02446	0.7
92.10803	0.9
93.03461	3.1
96.96031	1.0
101.02470	0.6
105.03452	1.0
105.25987	0.4
107.01390	0.7
117.03472	13.4
119.03461	0.4
119.05022	0.8
121.02924	3.7
127.94589	0.4
134.84880	0.4
135.04491	3.6
137.02477	0.8
145.02995	0.7
149.02441	2.8
159.04585	3.0
161.02452	7.3
163.03978	5.5
165.01952	0.9
179.03508	0.8
187.39107	0.4
191.03520	2.5
193.01489	0.6
196.05356	0.6
197.06070	1.8
203.03500	0.9
211.07722	0.6
215.07170	0.8
225.11336	2.0
237.05508	0.7
239.07130	3.1
241.05135	0.8
243.12355	1.0
268.03769	3.7
269.04547	4.3
281.04565	5.1
282.05319	1.8
283.06134	68.5
284.06525	0.8
293.04523	2.9
295.06070	2.6
310.57150	0.5
311.05646	100.0
312.05981	2.6
323.05652	5.7
341.06665	15.0
593.15192	47.4
594.15753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.3
68.98922	0.4
71.01382	5.4
83.01373	1.2
85.02980	0.8
89.02456	3.5
91.20496	0.5
91.48502	0.6
93.03471	0.9
96.96021	1.2
101.02457	2.7
113.02493	0.6
116.92863	2.3
117.03445	12.7
119.03586	0.6
119.05030	1.1
121.02937	0.7
137.02443	0.6
147.04561	3.3
149.02502	1.1
159.04517	1.1
161.02448	18.0
163.00352	3.1
163.04013	1.3
164.16237	0.6
171.04515	0.9
171.10347	0.6
175.00438	0.5
175.04024	3.4
177.02005	2.2
177.05453	0.6
185.02425	2.3
187.04050	0.6
191.03529	5.8
201.01788	0.6
201.05545	0.8
203.03529	5.1
205.01442	0.8
215.03508	3.6
225.05402	0.7
229.01421	2.2
237.05624	0.7
242.30598	0.6
253.05067	1.3
257.04672	0.9
259.02734	0.8
264.51797	0.6
267.06671	2.8
268.03793	3.4
269.04565	16.3
279.06647	3.4
280.03796	0.8
281.04562	18.8
282.05292	3.5
283.06104	7.2
293.04465	6.8
295.06125	17.4
306.07922	0.6
307.06091	0.9
308.03375	9.5
309.04156	6.9
309.07559	1.0
311.05609	12.3
314.04382	3.1
321.07697	2.7
323.05643	45.5
325.07227	5.2
335.05725	2.2
341.06665	1.1
347.05588	1.4
349.07294	2.5
353.06836	6.5
365.06482	4.1
377.06781	2.6
407.28653	0.7
413.08890	5.1
503.12210	3.3
593.15222	100.0
594.15643	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	627.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20326	0.3
59.01384	100.0
61.98837	0.5
68.97665	0.3
76.39913	0.3
80.87796	0.3
85.39888	0.3
88.63158	0.3
89.25313	0.4
92.10225	0.5
92.35581	0.3
96.99306	2.1
141.01707	35.8
147.77176	0.4
164.13158	0.3
249.18584	1.9
275.06189	1.6
280.74399	0.3
331.18713	0.6
363.16739	1.5
507.24600	1.8
531.16833	0.3
567.26544	0.5
611.65485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92767	0.1
59.37837	0.1
66.90680	0.1
67.90681	0.1
70.97131	0.1
87.98320	0.1
99.78442	0.1
101.46464	0.1
121.68806	0.1
131.70906	0.1
132.48068	0.1
251.23837	0.2
269.24878	100.0
270.25278	1.4
315.20688	0.1
549.89069	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	628.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.5
61.98829	100.0
63.99646	0.5
84.32401	0.7
165.19073	0.6
213.37326	0.7
270.63388	0.7
585.84723	0.6
585.94293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84077	0.4
55.01894	0.8
55.59216	0.4
57.03451	0.9
57.25355	0.4
59.01385	34.0
71.01379	17.9
72.99314	0.9
73.02955	3.3
75.78546	0.5
81.03459	0.6
81.68393	0.5
83.01396	2.9
85.02949	4.7
87.00865	2.3
89.02449	16.6
89.99152	0.6
93.03482	0.6
95.01418	0.9
95.16807	0.5
97.02970	2.2
97.06571	0.6
99.00871	0.7
101.02443	13.1
111.08135	0.7
113.02455	6.4
119.03514	3.5
125.02458	3.2
143.03461	0.8
154.28993	0.6
161.04561	1.3
165.12865	12.6
183.13907	100.0
221.06729	0.7
227.12897	8.3
235.08252	1.2
235.75444	0.5
242.51793	0.5
257.12921	0.5
397.13556	3.7
415.14514	2.7
591.26611	0.6
607.27856	0.6
625.27258	85.5
626.27673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63079	0.6
52.17848	0.8
53.18775	0.6
55.31076	0.8
57.03459	4.5
58.54419	0.8
59.01402	1.1
60.99301	4.7
65.00326	2.0
71.01413	0.9
75.80417	0.8
75.83794	0.9
78.86761	0.7
82.95419	1.1
88.98788	18.7
93.03446	15.5
107.01398	3.1
117.03464	41.6
120.04620	0.9
125.02432	23.4
135.04471	1.4
151.00369	8.4
157.06595	2.0
159.04523	15.6
161.02446	9.1
179.05034	3.9
181.06598	36.2
183.04465	8.1
193.06558	0.9
203.03505	4.7
205.87503	0.8
207.04556	9.8
209.11847	0.9
211.07797	0.9
211.13470	0.9
223.04068	8.7
223.07700	1.5
225.05588	81.0
245.03679	0.9
247.03973	2.0
249.05569	23.4
251.03505	78.6
265.05084	1.8
267.06656	25.4
275.03500	12.9
278.31174	1.0
293.04602	43.6
319.02518	8.8
319.09778	1.1
331.19608	0.9
333.07797	1.4
385.07666	1.2
387.08789	59.7
388.09424	0.9
413.06738	70.9
414.07111	1.2
539.09912	100.0
540.09955	1.3
543.78607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82632	0.9
55.01924	1.0
57.03453	1.3
59.01385	32.7
59.01683	1.6
61.98841	7.5
69.03440	1.3
70.95821	1.1
71.01383	17.1
73.02953	2.5
79.06937	1.1
85.02966	6.0
87.00919	1.5
89.02458	16.5
97.02911	1.8
101.02425	13.7
108.54874	1.1
109.25908	1.1
109.59105	1.0
113.02458	5.8
116.92939	1.3
119.03472	2.4
125.02388	2.1
151.00331	1.3
165.12849	12.9
179.05553	1.8
183.13902	100.0
186.40558	1.2
221.06607	1.4
227.12915	14.6
235.08276	2.1
396.17368	1.2
397.13535	2.3
498.04251	1.5
516.52026	1.5
612.29053	1.2
625.27240	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07613	0.5
57.40865	0.5
59.01383	100.0
61.98838	2.7
66.10938	0.6
71.01328	0.5
74.99401	0.7
80.58135	0.5
92.64994	0.7
92.78737	0.6
96.60123	0.6
96.99256	2.0
104.31597	0.5
141.01698	32.8
202.20445	0.8
244.52071	0.7
249.18599	1.5
250.38690	0.6
275.06506	1.0
363.16919	0.8
507.24438	0.7
551.27350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84999	0.2
52.26527	0.1
55.01888	0.9
57.03458	1.0
58.00602	0.5
59.01384	21.0
59.30774	0.2
61.98835	0.8
69.03474	1.0
71.01379	11.7
72.99318	1.0
73.02956	2.6
75.00871	0.4
80.02707	1.9
81.03461	2.3
83.01382	1.7
83.05025	6.8
83.27504	0.2
84.02171	2.4
85.02948	3.2
87.00868	2.3
89.02444	12.9
93.03440	0.7
95.01395	1.0
95.05031	0.5
96.96001	0.3
97.02959	2.6
99.00873	1.2
99.04546	0.2
101.02441	9.5
103.00385	0.8
109.02997	0.3
109.06588	0.3
111.00912	0.2
111.08192	0.2
113.02451	5.1
115.03921	0.2
116.92878	0.3
119.03492	3.5
119.04946	0.2
121.02995	0.4
122.03712	0.2
125.02448	2.7
125.06100	0.5
125.09695	0.2
133.05072	0.2
135.08162	0.9
137.02475	0.4
143.03503	1.1
153.12878	0.2
161.04523	2.0
163.11292	6.0
165.12868	3.6
179.03554	0.3
179.05637	1.8
181.12265	1.0
183.10260	0.4
185.04555	0.2
191.10768	1.8
199.13385	0.3
209.11855	100.0
210.12247	1.1
211.56245	0.2
221.06705	0.9
227.12904	13.0
235.08231	3.6
237.07777	0.3
253.09366	1.0
287.07718	1.1
293.04663	0.3
305.08841	0.9
306.08109	0.4
323.09875	0.3
361.16360	0.2
379.12357	0.4
397.13541	21.2
415.14618	13.3
415.20294	0.3
625.25043	0.4
643.99872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23919	0.4
59.01377	0.6
61.98868	0.5
99.92578	7.7
116.92855	100.0
117.92884	1.0
153.12761	0.5
305.19125	0.4
306.74942	0.4
322.31964	0.5
343.18079	0.4
374.38391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24940	1.5
51.86592	1.6
57.38142	1.8
62.87582	1.7
63.79650	1.5
96.63467	2.0
111.43686	3.1
114.66967	1.9
114.71191	2.1
121.90876	2.1
165.41762	1.9
172.61447	2.1
193.84383	1.9
207.12990	2.0
213.10335	10.5
221.58939	2.0
301.31506	2.1
332.74915	2.2
433.12997	3.1
447.14612	7.7
448.15439	13.5
449.16156	8.4
463.17871	28.7
477.19308	3.1
479.20795	19.7
491.17191	38.4
492.18393	2.9
505.19016	3.4
506.19821	4.4
538.22217	32.2
539.22772	4.8
593.24329	8.5
625.26794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03465	0.6
59.01384	23.7
59.14094	0.5
61.98849	0.5
71.01388	15.0
72.99308	1.0
73.02958	2.7
80.02693	0.8
81.03439	1.3
82.95359	0.6
83.01414	1.3
83.05020	6.8
84.02194	1.3
85.02970	3.4
87.00880	2.7
89.02447	16.5
92.10079	1.1
92.99018	0.6
95.01369	1.1
96.96008	0.6
97.02937	2.4
99.00878	1.4
101.02440	11.8
109.06564	0.9
112.98869	0.7
113.02465	5.9
115.00365	0.7
119.03503	3.4
125.02412	3.9
131.03491	0.7
134.89290	0.6
135.08150	1.1
137.02391	0.8
139.03961	0.7
142.99889	2.6
143.03532	1.1
149.04720	0.7
161.04529	2.5
163.11246	6.7
165.12859	3.2
174.01701	1.4
179.05595	1.2
183.10239	7.6
191.10759	0.8
209.11858	100.0
227.12915	16.0
235.08209	2.7
253.09314	1.3
287.07593	1.4
397.13519	20.7
415.14645	14.4
419.19049	2.1
427.19882	0.9
488.09644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08722	0.1
57.03442	0.2
57.59187	0.1
58.35374	0.2
69.03453	0.2
73.99046	0.2
93.03465	0.2
108.02171	2.4
119.05030	0.4
121.02963	2.4
121.06554	0.2
122.03738	12.8
123.04546	3.9
124.01645	0.9
134.03682	0.2
135.04492	0.3
136.01733	0.3
136.05290	6.2
137.02425	1.8
137.06137	0.3
148.05315	3.2
149.06088	5.7
151.03966	0.4
151.07648	0.2
152.08466	0.2
154.02740	3.3
161.05995	0.2
162.06863	2.7
163.11223	0.7
164.04811	3.2
165.12830	1.1
167.14435	0.2
174.06891	1.1
175.07628	3.8
176.08427	3.6
177.09218	7.9
179.14462	0.2
181.12387	0.6
189.09135	0.3
190.06366	3.4
191.07143	0.6
193.05127	0.7
193.15970	0.3
207.06499	0.2
208.07460	1.0
209.15550	0.3
223.13361	0.7
247.20764	1.5
266.09460	0.2
273.18710	0.2
281.11841	1.1
291.19714	11.3
309.17529	0.7
309.20755	17.2
313.14511	100.0
314.14871	1.7
318.74252	0.2
628.22607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13855	0.6
61.98839	100.0
64.61367	0.7
93.75249	0.6
108.50137	0.6
139.85605	0.7
175.12753	0.7
309.71713	0.7
357.75748	0.8
503.87195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12350	0.1
59.01379	0.6
61.98831	100.0
70.48184	0.1
71.01367	0.2
73.02943	0.2
92.10114	0.3
98.80743	0.1
99.76923	0.1
116.92889	0.7
201.11372	0.1
209.11852	0.3
210.12166	0.2
229.00235	0.2
244.69131	0.2
392.81531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67510	0.7
56.12841	0.8
59.01389	5.9
60.99312	1.2
63.97311	0.7
82.02985	11.7
88.98808	5.5
92.10055	0.9
96.04539	1.4
96.95990	1.3
108.04570	3.9
110.06121	9.6
112.04053	2.0
116.99629	0.9
120.04543	4.7
122.06115	10.4
124.07703	10.3
132.04539	1.0
134.06194	1.2
135.03285	1.7
136.07671	4.8
146.06111	1.4
147.03276	2.2
148.04060	44.5
148.07666	1.9
149.04832	21.0
150.05618	78.3
154.05121	5.9
154.08774	3.7
159.08249	1.2
160.02788	1.4
160.04005	1.0
161.04791	5.8
162.05621	2.2
164.03516	1.8
172.05298	1.0
173.03581	13.1
173.06059	1.8
174.02014	1.1
174.04344	33.5
174.05643	5.2
175.05124	13.1
176.05875	3.9
186.05537	1.6
187.06514	1.0
188.07220	1.3
189.06631	10.7
189.08076	0.9
190.07460	16.5
190.08804	1.2
191.08295	17.0
199.07668	1.7
200.07216	1.9
201.07782	1.7
201.09377	1.9
202.07111	1.3
202.08936	10.2
203.06078	2.8
203.08257	4.3
204.06645	1.0
214.08850	1.8
215.05960	1.1
215.07957	1.2
216.06679	2.1
217.09810	1.5
230.11887	1.2
231.07712	5.8
232.08537	17.2
233.09314	16.0
242.08328	1.9
243.07829	5.3
244.08092	7.8
245.09317	11.6
261.12662	1.3
263.10269	1.2
269.09280	1.3
273.12521	12.6
287.10492	2.2
297.62704	1.1
303.13562	29.5
326.48633	1.1
328.13077	16.3
329.11462	5.1
344.16290	8.9
356.16339	3.0
357.14597	2.1
369.14230	1.0
386.17300	52.7
397.17752	5.5
398.17258	10.9
399.15689	5.7
416.18561	3.8
422.17175	1.4
440.18387	14.3
441.16733	10.6
453.50256	1.2
458.19409	100.0
459.19669	3.7
549.23804	5.7
603.24457	4.7
621.25745	59.5
622.26453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59391	0.2
54.56436	0.2
56.21858	0.2
57.03450	0.4
59.01386	0.5
67.05499	0.2
69.03500	0.2
71.01382	0.3
71.05019	0.2
81.15079	0.2
92.10804	0.4
93.97160	0.2
95.05026	0.3
95.77321	0.2
97.02952	0.4
97.06565	1.7
106.04243	0.4
113.09741	3.3
115.07662	1.3
121.10201	0.3
123.00815	0.2
125.06071	1.1
126.06857	1.3
130.21922	0.2
139.11282	0.9
141.09225	1.3
141.94290	0.2
151.11205	0.3
153.25140	0.2
163.11269	1.1
163.87442	0.2
165.12834	3.6
167.10785	0.9
167.14420	2.6
168.11537	0.2
175.11206	0.3
177.12859	0.2
181.12363	4.2
183.13971	1.6
193.12335	1.6
193.16037	0.5
195.13892	2.1
209.11819	0.2
211.13461	4.2
213.15147	0.3
221.15425	2.2
229.14549	0.4
237.22185	0.3
240.13669	2.7
241.14392	1.0
247.20685	4.5
249.18672	0.3
249.21939	0.3
263.20175	0.5
265.21680	0.5
273.18613	3.2
281.21152	2.1
289.18219	0.2
291.19693	36.2
292.20090	2.1
293.21255	9.0
309.20758	100.0
310.21075	5.6
311.22202	8.7
330.96457	0.2
356.12683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46705	0.6
55.68954	0.6
59.01390	4.6
71.01398	1.4
77.19621	0.7
82.02979	13.1
89.02469	1.1
94.02956	1.2
96.04539	1.0
96.96008	21.8
98.95585	1.0
108.04567	6.0
110.06115	13.0
112.04068	1.3
116.92893	0.7
119.02511	0.9
120.04509	5.9
122.06107	10.5
124.07686	14.4
124.65308	0.9
129.05594	1.7
131.93082	1.0
132.04507	1.3
133.67569	0.8
134.06174	1.4
135.03246	1.3
136.07697	6.3
138.05594	1.8
146.06175	1.7
147.03281	1.9
147.05656	1.0
148.04060	54.1
148.07695	1.9
149.04831	25.2
150.05620	80.3
154.05145	3.8
154.08765	5.1
159.08104	0.8
160.02820	1.2
160.04050	4.8
161.04855	8.7
162.05614	4.8
164.03534	1.7
164.07237	0.9
172.05342	3.9
172.07668	0.9
173.03590	17.1
173.04834	2.6
173.05980	5.5
173.09737	1.1
174.01988	1.1
174.04332	39.2
174.05637	8.0
175.02725	1.1
175.05138	14.6
176.05864	1.6
176.07254	1.6
186.05583	4.5
186.06987	1.1
187.06387	3.8
188.07268	1.3
189.06689	14.4
190.05136	1.5
190.07469	18.8
190.09015	0.9
191.08270	19.0
199.07697	5.9
200.07185	3.7
201.07793	3.5
201.09456	6.8
202.08858	13.8
203.06032	1.4
203.08293	4.3
204.06459	1.0
211.13326	1.6
214.08752	4.4
215.06105	1.3
215.08202	1.4
216.06752	1.9
216.10313	3.4
217.09749	1.0
219.11499	0.9
226.08824	1.9
227.07310	0.9
228.06664	1.7
230.11809	1.6
231.07713	7.8
232.08554	20.7
233.06972	1.5
233.09312	16.7
241.09979	1.0
242.08279	6.4
243.07428	3.5
243.09424	1.7
243.11470	2.1
244.08374	4.4
244.09784	11.3
245.09392	8.4
256.09872	3.0
263.10294	1.0
273.12509	11.3
286.09726	1.2
287.10382	1.9
303.13547	28.6
325.15662	1.1
327.13419	1.1
328.13068	15.3
329.11472	1.6
344.16208	9.0
348.16901	1.0
349.15634	1.6
355.16742	1.1
356.16251	3.3
357.14615	3.6
367.16681	1.8
369.14157	0.9
379.16711	0.9
386.17267	53.4
386.22272	1.9
392.16074	1.0
397.17737	40.5
398.17270	12.0
399.15607	4.9
416.18341	3.9
422.17227	1.3
440.18265	15.0
441.16873	8.9
458.19400	100.0
459.19879	1.9
491.19812	1.7
549.23596	5.8
561.24017	1.7
579.25085	1.3
603.24835	4.5
621.25745	56.6
622.26532	1.2
633.38971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87564	0.9
57.03460	1.4
58.39090	0.9
59.01384	8.6
64.18533	0.8
67.84657	0.9
71.01379	1.2
74.13157	1.0
82.02982	13.1
83.05046	1.4
94.03002	1.1
96.04574	4.3
108.04568	6.9
110.06117	16.6
110.44881	1.0
112.03992	1.5
112.58764	1.0
114.48251	1.0
119.05051	1.1
120.04530	8.1
122.06126	10.5
124.07683	13.0
129.05577	2.4
132.04565	2.4
134.06116	1.5
135.03307	1.2
136.04007	1.4
136.07690	9.9
138.05609	1.7
146.06126	1.5
147.03276	2.1
147.05609	1.5
148.04054	62.8
148.07701	1.1
149.04825	28.3
150.05612	100.0
154.05106	4.5
154.08771	5.4
157.06525	1.5
160.02924	1.1
160.04056	6.7
160.07663	1.4
161.04851	11.2
162.05579	6.7
164.03496	1.8
172.05255	4.4
172.07649	1.3
173.03569	16.6
173.04799	3.2
173.05962	8.2
173.09711	1.6
174.04321	36.0
174.05629	14.7
175.05128	18.7
176.05817	1.9
176.07248	2.3
177.06778	1.2
178.08820	1.2
186.05603	4.4
186.07051	1.3
186.22891	1.0
187.06451	2.2
188.07146	5.2
189.06706	18.6
190.07440	21.1
190.08798	1.9
191.05754	2.1
191.08279	17.7
199.07780	8.1
200.07161	4.7
200.08659	1.3
201.07890	5.5
201.09569	8.6
202.08820	14.1
203.08214	4.4
211.13559	1.5
213.09196	2.3
214.05101	1.2
214.08833	7.6
215.08241	1.9
216.06683	4.6
216.10321	1.7
217.09760	1.3
219.11539	1.8
222.46179	1.1
224.07265	0.9
226.08754	4.5
228.06648	2.2
229.07509	1.7
230.11865	1.9
231.07793	7.4
232.08571	20.9
233.09328	20.1
241.09901	1.1
242.08159	11.7
243.07420	3.8
243.09068	4.8
243.11449	2.8
244.08493	6.4
244.09792	15.1
245.09207	11.3
256.09818	3.9
263.10294	1.5
273.12476	15.2
287.10440	5.2
298.11993	1.6
303.13531	31.8
314.15128	1.1
325.15640	1.5
327.13617	1.1
328.13086	18.9
329.11627	4.1
344.16135	10.2
355.16843	1.7
356.16196	2.1
357.14441	2.2
367.16547	4.4
369.14270	1.8
386.17245	56.0
386.22253	2.1
397.17712	66.8
398.17285	11.9
399.15558	2.1
416.18552	2.4
422.17200	1.4
440.18283	17.2
441.16687	9.3
458.19376	99.8
459.19559	1.4
491.19318	4.7
504.50604	1.2
549.23792	8.5
561.23865	1.0
579.24860	1.8
603.24780	6.5
621.25757	59.5
622.26160	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	621.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52470	0.2
57.03463	0.2
59.01377	1.2
61.98833	0.2
64.90311	0.1
71.01402	0.3
78.95898	3.1
79.95738	1.8
88.98820	0.3
96.96003	100.0
96.96891	4.5
101.02423	0.2
116.92885	0.2
119.05028	0.2
121.02970	0.2
124.25748	0.2
143.10497	0.2
149.38022	0.2
165.05571	0.4
169.74739	0.3
179.07159	0.2
180.22575	0.2
198.08351	0.2
211.13425	1.1
219.10042	0.2
229.13406	0.3
240.14079	0.2
326.17786	0.2
353.06808	0.2
361.16617	1.6
383.07629	0.2
399.20276	0.2
446.69553	0.2
459.13446	0.2
543.43774	0.2
603.71289	0.2
621.14423	0.9
621.24432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59604	0.9
57.03456	1.7
59.01386	15.3
60.99305	1.3
61.98829	1.9
62.83148	1.2
63.13194	1.1
63.48363	1.0
71.01393	6.6
72.99306	2.0
77.23675	1.1
82.02993	12.8
85.02922	1.7
87.00877	1.8
88.98830	2.3
89.02455	5.9
92.10804	3.0
96.04549	2.2
96.96007	7.8
98.95616	3.2
98.96416	1.1
99.00870	2.0
101.02460	5.5
107.05068	1.9
108.04562	7.5
108.91064	1.3
110.02535	1.4
110.06135	14.1
111.00886	1.5
112.98843	5.6
113.02453	1.8
115.00275	1.4
120.04534	8.0
121.06568	1.6
122.06100	14.5
124.07684	14.9
129.05582	1.7
132.04613	2.0
134.06094	1.6
135.03256	1.8
136.07675	12.9
137.08003	2.3
138.05623	3.0
138.09244	3.0
142.99837	5.9
147.03317	2.5
147.05708	1.8
148.04054	58.6
149.04839	23.7
150.05608	100.0
154.05103	2.3
154.08757	2.6
160.04036	2.1
161.04799	8.2
161.07201	1.7
162.05626	9.8
163.02771	1.6
163.08759	1.3
164.03552	2.7
164.07156	2.0
172.05272	6.5
173.00890	2.1
173.03552	20.7
173.04773	2.0
173.06071	6.4
174.01833	11.2
174.04326	42.6
174.05647	8.5
175.02615	4.0
175.05161	15.8
176.03456	1.4
176.05882	5.3
176.07245	1.8
177.06630	1.6
179.08246	2.3
183.13910	1.8
186.05573	5.3
187.06441	1.9
188.07207	1.5
189.06693	19.2
190.07426	17.2
191.08264	18.1
198.06857	6.4
199.07788	11.6
200.07156	8.2
201.07794	5.0
201.09378	2.4
202.08907	10.0
203.05826	2.0
203.08351	2.2
211.13417	32.8
211.89453	1.4
212.07179	1.3
214.08755	7.1
215.05899	1.9
215.08160	4.2
216.06656	2.5
216.08766	1.8
217.09805	6.5
223.13347	3.1
228.06744	2.9
231.07724	6.0
232.08499	17.3
233.09315	22.0
241.07481	4.7
241.09814	2.6
242.08197	13.5
243.08719	7.3
243.11295	2.2
244.08492	7.6
244.09735	10.3
245.09306	13.0
253.09389	2.6
254.08281	2.2
255.11438	2.2
257.09384	4.8
258.10260	1.5
259.10864	5.7
263.12909	1.6
269.09283	2.1
273.12421	12.7
287.10562	2.7
303.13553	30.1
328.13083	20.7
330.13937	1.6
344.16202	7.7
356.16226	1.6
357.14459	2.3
365.15131	1.6
369.14780	1.5
370.17737	1.8
386.17245	41.7
395.16162	19.0
396.16391	6.7
397.17606	43.0
398.17267	10.2
399.15613	2.0
410.17426	1.4
412.19055	5.1
413.18951	2.7
414.19443	2.7
416.18393	2.3
422.17233	1.8
440.18298	16.2
441.16638	8.1
447.22449	7.0
458.19388	92.4
491.19727	2.8
494.20700	1.6
503.20963	2.5
543.21021	2.4
549.23401	5.9
577.26263	40.9
579.24701	1.7
586.76697	1.5
603.23840	8.3
621.25720	53.1
622.26141	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	619.422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30139	3.5
61.98817	4.3
90.43422	3.8
90.57817	4.3
125.09770	5.7
126.90417	4.7
139.11266	5.8
145.47308	3.6
153.09216	6.2
155.10757	8.6
163.11292	15.3
165.12816	8.6
171.10231	23.7
185.11804	4.4
209.11856	5.8
226.03548	3.9
245.19113	7.8
247.20697	8.0
289.18228	36.3
291.19720	79.7
293.21289	47.2
301.30084	4.4
307.19241	55.1
309.20740	100.0
311.22336	46.4
325.20123	9.5
327.21643	24.2
467.26721	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	620.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82165	0.9
56.98048	1.1
59.01410	1.4
61.98854	1.5
68.95615	0.9
72.00932	3.8
72.97555	4.3
74.00707	1.1
78.95905	1.6
82.02989	1.0
93.03490	1.1
98.99101	1.4
99.05603	1.0
100.04066	4.4
120.73032	1.0
124.00133	1.1
125.03564	2.1
127.02188	2.3
127.05104	1.8
128.03539	18.7
140.03198	1.1
143.04634	1.9
150.01740	14.0
152.03343	1.7
166.04819	1.2
167.04370	7.9
168.01489	4.9
168.02785	4.8
171.07729	1.8
175.04918	5.0
179.04597	1.3
181.05962	17.1
191.04478	1.4
193.05904	7.8
207.02141	1.3
209.11926	1.3
219.03934	1.7
221.05539	23.3
223.06982	1.9
224.69452	1.0
225.03333	9.9
232.07188	1.3
236.06567	7.2
250.08289	8.2
276.06216	6.9
278.06531	1.6
278.09589	42.5
294.07169	28.8
315.19403	3.7
326.03979	1.5
347.16241	5.0
378.84018	1.1
424.62289	1.0
491.22559	1.2
537.29730	1.2
602.25122	4.0
620.26276	100.0
621.26447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85093	0.3
57.49388	0.3
58.02969	1.6
59.01374	0.3
61.98837	0.3
71.61134	0.3
89.02480	0.3
116.92856	1.3
119.05029	3.6
120.05326	0.5
128.10832	5.4
130.08736	100.0
131.09056	0.6
163.04036	2.6
172.09810	73.0
173.10146	0.4
216.08791	2.2
272.73184	0.3
348.82233	0.3
640.72675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
59.96028	0.7
61.98859	0.8
106.04262	2.7
107.05058	0.9
119.05053	3.4
137.06084	49.6
277.21866	2.8
326.22321	0.7
331.37943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27737	1.2
60.18682	1.4
66.43221	1.3
77.14809	1.4
108.55788	1.5
113.77116	1.4
114.91650	1.6
115.07716	1.5
116.54633	1.4
129.09221	7.8
139.11327	1.8
141.09239	3.2
155.10765	9.9
165.12854	6.7
168.11649	1.7
171.10298	3.2
179.14507	1.6
184.36514	1.4
185.11787	7.7
193.16022	1.8
197.11876	8.4
247.20694	8.5
273.18646	2.8
291.19659	55.1
309.20770	100.0
316.61713	1.5
327.21811	25.5
469.76822	1.6
601.41205	3.3
619.42334	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	619.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10344	1.1
62.52087	1.0
65.00349	1.7
67.31684	1.1
72.13480	1.0
78.95948	1.2
80.23963	1.2
80.91689	13.5
82.95446	1.3
93.03475	12.2
121.02949	15.4
131.01424	3.0
139.84036	1.4
140.08842	1.2
142.07928	1.3
149.02437	31.2
150.03227	9.8
151.04004	2.6
153.01962	4.8
164.04808	6.1
174.06847	1.5
176.01120	16.1
177.01929	16.3
177.05588	2.3
187.04036	1.4
191.03516	35.8
193.01419	1.6
194.02226	4.8
195.03009	1.7
249.07727	1.9
263.09268	1.7
271.22864	6.8
277.10736	1.6
305.13931	2.3
319.15756	1.4
333.17102	2.5
341.60297	1.4
347.18530	1.7
361.20276	2.8
369.48093	1.3
375.21930	2.1
377.26807	1.7
389.28452	1.6
400.13489	1.3
403.24817	2.0
403.89487	1.3
431.24594	2.8
445.26117	18.0
449.25381	9.8
463.26788	9.6
470.22791	2.8
485.25162	26.3
515.90845	1.4
522.28400	13.5
537.30750	100.0
538.31274	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	619.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45277	0.9
59.01391	4.5
59.95233	0.9
61.48298	0.9
61.98831	10.8
71.01398	2.1
71.58595	0.9
71.82675	0.9
73.02934	1.0
83.01384	1.1
85.02982	1.7
95.03780	4.0
96.95997	4.1
110.06119	7.2
112.69415	1.2
120.08204	1.6
121.05261	1.4
122.06035	1.0
123.06876	2.0
124.07668	10.7
134.06084	2.4
136.06912	1.0
136.07668	39.3
138.09250	67.0
145.07722	4.5
157.07784	1.3
158.08456	1.2
162.05609	6.0
164.10866	1.6
166.12262	1.1
171.09233	1.2
173.10866	14.4
185.10832	2.5
197.07225	7.2
197.10863	4.9
198.07974	2.2
199.08794	42.7
199.12427	4.8
201.13997	29.6
207.10310	1.7
209.11911	10.1
210.11299	1.3
213.13989	6.8
217.09854	1.7
218.10529	1.8
225.10333	64.2
227.11865	45.3
239.11923	55.9
239.14363	2.2
240.12721	16.0
241.13475	14.5
243.11349	1.1
245.12970	12.8
253.09683	1.5
257.12973	7.1
258.13657	1.3
269.09338	1.7
271.10895	22.2
289.11935	5.4
338.22449	1.4
344.91299	1.2
364.20367	37.9
382.21625	11.2
408.19324	100.0
426.20410	45.2
426.45270	1.1
438.20340	11.0
456.21469	25.7
589.26770	61.8
590.26788	1.8
619.27930	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2567
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.69763	0.6
59.68723	0.7
78.95419	0.7
78.95907	1.8
81.55949	0.7
86.63471	0.7
92.10749	1.2
109.30980	0.8
127.33943	0.8
152.99641	1.0
255.23351	2.9
332.89252	0.9
339.29019	1.3
396.71368	0.8
401.13974	2.9
415.15659	4.4
416.16446	15.3
428.09622	0.9
429.17517	1.2
430.17996	3.1
431.18646	1.5
444.16550	1.0
448.15726	1.1
458.17120	1.1
459.18350	100.0
460.18665	3.0
473.19870	15.0
474.20566	2.9
503.17474	1.9
518.13898	0.9
518.19635	37.6
532.21289	3.8
533.22034	57.6
587.23572	5.4
619.10309	1.5
619.25714	49.3
642.28375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59483	1.0
58.18746	1.2
59.01393	6.7
61.98846	11.3
73.02975	1.4
84.91889	1.3
85.02963	1.9
89.13554	1.1
92.04688	1.3
95.03777	4.5
96.08186	1.5
96.96024	3.1
109.06596	1.4
110.06155	7.1
110.94038	1.1
120.08183	1.8
121.81688	1.1
124.07680	10.6
134.06169	1.9
136.07671	39.7
138.05608	1.3
138.09244	74.6
142.08566	1.1
145.07732	4.9
157.07681	1.6
158.08549	1.6
162.05611	6.0
166.12405	1.8
171.03673	1.4
173.10855	12.8
197.07208	7.9
197.10849	1.8
198.08034	3.0
199.08775	42.2
199.12469	5.5
201.13980	34.7
207.10202	1.6
209.11926	13.5
213.13962	7.1
218.10597	2.4
225.10342	61.3
227.11855	47.4
239.11909	61.4
240.12708	12.5
241.13544	13.2
245.12914	15.2
253.09749	1.9
257.12970	6.4
269.09207	2.6
270.09393	1.9
271.10883	25.4
289.11823	5.0
324.29813	1.3
338.22375	2.0
362.18866	2.6
364.20377	35.9
382.21475	9.8
408.19318	100.0
426.20490	49.7
438.20483	7.6
456.21542	23.9
589.26776	54.9
609.97919	1.5
619.27924	34.9
641.59259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13187	0.6
56.87242	0.7
57.75373	0.7
59.01387	1.9
71.01382	0.9
77.25275	0.7
78.95930	1.2
82.02990	1.9
82.64307	0.8
84.24167	0.7
88.98799	1.0
92.10172	0.9
96.96011	23.4
99.64067	0.8
108.04560	5.2
110.06105	13.3
120.04560	6.9
122.06104	6.9
124.07689	3.9
134.06123	5.5
136.07684	47.6
136.08739	1.6
147.03299	1.6
148.04045	23.0
148.07799	0.8
149.04831	5.4
150.03172	0.9
150.05597	23.3
150.09264	1.6
154.08696	3.2
160.04048	3.3
161.04846	6.9
161.07162	1.9
162.05583	6.1
164.07196	1.5
171.04510	3.4
171.08148	2.1
172.04019	1.0
172.05324	6.6
172.07689	1.0
173.03600	13.3
173.06044	9.1
174.04333	21.3
174.05663	7.8
175.05109	6.3
175.06384	1.0
176.05899	5.5
176.07249	1.3
177.06706	9.3
179.08270	16.6
184.05290	3.9
186.99207	0.8
187.05057	1.4
187.06477	1.2
188.07219	3.7
189.06729	12.4
198.06958	24.7
198.08942	1.2
198.11131	0.9
199.07721	25.3
200.03358	0.8
200.05511	0.8
200.07249	4.6
210.05644	1.1
211.07626	1.2
212.07132	12.0
213.07942	0.9
214.05171	1.0
214.08730	6.8
215.08141	7.5
216.07025	1.6
216.08879	10.3
217.09808	17.4
224.07118	1.8
225.05453	0.9
226.05219	1.1
227.05885	4.0
228.10266	1.7
231.11450	1.4
236.07205	2.0
237.07858	2.9
238.08795	1.1
239.05879	1.6
240.06859	6.1
241.07562	15.0
241.09833	1.8
242.08319	27.7
243.07898	0.9
244.08476	1.0
252.06624	1.2
254.08244	16.9
255.08963	3.6
257.09320	5.6
258.10077	7.3
259.10834	10.6
273.12503	4.4
273.90320	0.8
285.08832	1.3
303.13565	7.6
321.16357	0.9
328.13034	12.8
329.13953	1.1
348.17261	1.0
353.15250	3.5
356.12527	1.3
365.15283	7.9
370.17813	12.5
377.14932	1.5
394.17615	1.0
395.16174	81.1
396.16217	1.4
397.18094	1.1
412.18832	42.8
422.17322	1.6
438.16882	5.3
492.20197	14.3
521.08386	1.0
533.24207	1.0
557.24109	1.2
575.25220	100.0
619.24384	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	619.242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02991	0.9
59.01389	4.9
59.34128	0.7
61.98845	0.8
68.59698	0.6
70.85633	0.7
71.01382	1.3
82.02995	1.2
82.95413	1.1
83.05044	3.8
88.98986	0.7
89.02419	0.8
89.60963	0.7
96.95972	0.8
101.02474	1.1
108.04600	1.9
110.06116	17.7
116.92874	1.0
120.04575	7.3
120.26353	0.7
121.05271	1.1
122.06120	5.2
124.07724	1.2
131.07237	1.1
134.06129	5.0
135.04504	0.9
136.07677	48.1
137.02463	0.9
146.04927	1.3
147.05693	1.1
148.04062	16.6
149.03564	0.9
149.04799	4.1
150.05605	17.2
154.08794	1.0
159.05624	3.8
160.04054	4.1
161.04840	8.2
161.07173	1.8
162.05626	3.9
164.07178	2.9
171.04536	1.3
171.08084	0.9
172.05324	3.0
172.07732	1.7
173.03566	6.3
173.04826	1.4
173.06099	7.0
174.04317	14.0
174.05640	13.1
174.41139	0.8
175.05136	8.8
176.05881	9.2
176.07169	1.5
177.06679	16.8
179.08250	17.3
184.05273	0.9
184.07791	0.9
188.07190	5.4
189.05165	1.2
189.06714	20.4
196.07611	0.8
197.04729	1.3
198.05333	1.2
198.06990	12.2
199.04721	0.9
199.07741	14.7
200.07187	3.6
202.03789	1.1
203.04675	1.2
207.96295	0.9
210.05559	1.5
211.07704	1.1
212.07182	10.3
213.07951	1.5
214.00948	0.9
214.05241	2.6
214.08736	10.0
215.08284	5.0
216.08832	8.4
217.09818	10.6
224.07210	1.7
226.08864	1.3
227.05946	3.5
228.10361	5.7
232.09801	0.9
236.07195	3.2
237.07924	1.5
238.08601	1.1
239.05907	3.3
240.06694	7.8
241.07503	15.4
241.09731	1.8
242.08293	25.2
243.07849	0.7
247.03210	0.8
252.06706	4.2
254.08269	21.3
255.08994	3.0
256.09940	1.5
257.09375	4.3
258.10120	7.7
259.10883	9.4
273.12296	2.9
283.11005	0.9
285.08871	1.2
293.09369	1.3
303.13538	5.6
328.12915	6.5
329.14215	1.4
330.14752	0.9
336.09851	0.9
353.15320	1.0
356.12384	1.3
365.15036	3.8
370.17899	6.4
377.15302	1.3
379.08484	0.8
382.17865	1.0
395.16159	84.1
396.16342	5.6
412.18854	28.8
438.16714	3.3
492.20175	17.5
533.24329	0.8
575.25208	100.0
576.25079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	1.1
59.01376	1.1
75.32420	0.2
80.11155	0.2
83.48369	0.2
85.44125	0.2
89.00246	0.2
92.10146	0.3
96.96002	0.4
107.37614	0.2
128.03540	0.2
128.10809	5.5
130.08731	100.0
131.09050	1.0
147.30350	0.2
159.10274	0.4
172.09804	74.2
173.10152	0.8
216.08788	2.5
217.00485	0.3
227.26189	0.2
236.94334	0.2
398.13458	0.3
619.13171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.1
59.01388	0.9
71.01402	0.2
76.46206	0.2
76.88847	0.1
78.95908	3.3
78.96324	0.2
79.95744	2.1
87.79799	0.1
88.98801	1.1
96.00900	0.2
96.96013	100.0
96.96896	4.0
99.00916	0.1
101.02442	0.2
113.02453	0.1
125.89830	0.1
137.02481	0.2
160.73975	0.1
167.07574	0.1
238.50366	0.1
239.59377	0.1
445.19702	0.2
500.65778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71473	1.1
57.03458	5.9
59.01379	8.6
71.01378	48.2
71.01771	2.3
71.61592	1.3
72.99320	1.9
73.02963	2.7
75.00865	50.2
75.73727	1.4
77.66227	1.4
78.95880	1.2
83.01374	2.2
85.02945	25.0
87.00853	10.2
89.02405	1.9
93.29684	1.6
96.95988	2.1
97.03018	1.6
99.00864	2.2
101.02429	5.8
111.00867	13.5
113.02448	24.1
128.95251	1.4
128.96227	1.5
129.01947	10.0
131.03499	5.6
136.85274	1.6
165.04004	9.5
173.04568	5.4
191.01933	3.0
201.04059	3.5
202.00374	1.6
245.06755	2.4
255.47546	1.3
317.08899	2.2
323.48563	2.3
427.01205	2.2
429.12845	2.7
495.85294	1.8
619.17340	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	619.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01623	0.5
51.21458	0.5
52.85028	0.5
55.01883	1.1
57.03452	5.7
59.01379	7.3
67.01901	1.0
69.03456	0.8
71.01379	52.2
72.99311	2.9
73.02954	3.9
73.89851	0.5
75.00867	51.6
76.57954	0.5
78.90710	0.5
83.01388	4.1
85.02946	30.5
85.69517	0.4
86.00082	0.8
87.00865	9.7
88.98818	2.3
89.02443	3.3
92.50214	0.5
94.18299	0.6
95.01385	2.6
96.95989	3.6
97.02948	0.8
99.00880	3.6
101.02428	5.7
109.03012	0.7
110.49485	0.5
111.00876	2.1
112.39117	0.6
113.02451	27.9
129.01942	6.5
131.03479	3.5
137.02429	0.6
147.02989	0.7
165.04044	9.5
173.04588	6.0
191.05656	9.1
192.06061	1.2
201.04138	5.5
203.05615	1.1
205.07124	0.7
207.05106	3.0
215.05611	1.1
233.06665	1.0
245.06677	3.1
299.37479	0.6
305.08737	0.8
317.08890	2.2
429.12326	4.8
471.13651	1.0
499.04236	1.1
517.05597	0.8
543.15631	2.6
587.14673	2.3
619.17389	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	619.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26421	0.3
54.50251	0.2
54.62517	0.2
58.01199	0.2
59.01388	1.9
59.12930	0.2
61.98833	4.5
61.99121	0.4
66.04304	0.2
68.23315	0.2
68.28954	0.3
68.99573	0.5
71.01379	2.0
73.02947	1.1
81.42055	0.3
85.02973	0.4
89.02438	0.6
93.03462	0.5
95.01394	0.3
96.96010	2.4
99.00884	1.5
101.02466	1.1
111.00922	0.3
112.98581	0.4
113.02448	1.0
116.92912	0.3
119.05024	100.0
119.70901	0.3
120.05288	0.4
133.06596	1.8
145.02972	1.7
161.06055	2.8
163.04021	58.5
164.04346	0.3
167.11266	0.4
173.06021	0.4
177.05519	0.4
198.39372	0.3
205.05028	1.8
217.04988	0.4
227.55843	0.3
251.88655	0.3
339.11401	0.3
385.28455	0.3
457.13599	59.1
458.13953	1.0
499.14722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50577	2.3
57.03464	3.3
58.93844	2.3
59.01402	3.3
60.52335	2.8
67.09364	2.6
78.95908	3.3
84.75198	2.6
90.78338	2.5
100.87347	2.5
113.09746	3.7
117.77402	2.3
123.04523	4.5
125.09700	3.4
137.09718	5.1
141.09184	4.7
151.11462	2.6
153.09178	6.1
159.03217	3.2
163.11273	11.2
165.12820	4.6
171.08907	3.1
171.10184	19.3
185.11797	10.9
191.14404	14.0
209.11908	4.4
211.13402	4.7
225.11272	3.2
245.19086	31.6
247.20670	5.2
263.20279	3.4
271.17020	4.3
283.74741	3.0
289.18118	78.8
291.19653	41.7
307.15948	5.2
307.19177	95.0
309.20731	100.0
325.20316	37.1
581.38269	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	617.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55737	1.0
53.53160	1.0
57.03449	1.2
60.35711	0.9
62.03915	1.1
63.50708	1.0
78.34470	1.1
78.95905	1.3
83.05021	1.8
83.24386	1.0
84.02158	1.0
91.97404	1.1
93.86954	1.0
99.08148	1.3
125.09711	1.7
127.07676	8.1
152.99567	1.5
153.12843	5.3
155.10828	1.3
163.11270	2.0
165.12863	2.4
167.10765	1.6
179.14444	1.5
181.12376	4.5
185.11856	2.7
197.11821	8.1
199.06538	1.2
203.90073	1.1
207.10208	1.5
209.11853	31.9
238.12160	1.9
247.20580	4.3
273.18582	2.5
289.18259	5.5
291.19727	38.9
307.19186	33.9
309.20758	100.0
325.20267	17.9
581.38226	2.0
599.39844	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	618.126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47052	0.2
61.98832	100.0
65.00327	0.4
66.51120	0.2
76.36962	0.2
83.01379	0.3
83.59801	0.3
85.66589	0.3
93.03479	1.7
107.01387	0.5
117.03498	0.5
119.05027	10.1
125.02435	0.6
125.25091	0.3
131.49620	0.3
136.98848	0.6
143.05000	0.7
145.02985	2.5
151.00435	2.0
159.11325	0.3
161.33057	0.3
164.01091	1.2
165.99066	3.3
181.01410	2.4
196.00156	0.4
199.02428	0.4
200.04910	0.3
221.09657	0.6
227.07108	0.6
240.04222	0.4
247.07391	0.3
255.06798	0.3
268.03766	1.3
270.05365	1.4
283.06168	2.3
285.04077	0.4
329.11789	1.7
340.24789	0.3
349.07214	0.6
363.08792	0.4
367.08264	0.4
391.08243	1.8
403.11877	1.5
409.09430	0.6
417.09818	0.3
456.24713	0.4
469.12698	0.4
474.91751	0.3
511.13806	2.9
555.13025	37.9
556.13104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22187	0.3
55.08163	0.2
56.44217	0.3
57.19643	0.2
59.01391	0.6
78.93020	0.3
79.12051	0.3
79.14002	0.3
104.98281	0.3
110.06142	0.4
119.28149	0.3
121.05345	2.0
122.06131	0.7
124.07663	0.6
134.06145	4.4
135.16690	0.3
136.07680	24.5
138.09239	2.5
145.07735	0.5
147.03256	0.3
157.07713	1.2
162.05606	6.3
173.10832	8.1
185.10860	6.5
197.07170	0.4
197.10867	14.5
197.12683	0.5
198.11653	1.5
199.08798	14.9
207.72185	0.3
210.11678	0.5
211.12437	0.4
212.13248	0.5
213.13998	25.6
221.10809	1.2
223.08705	1.3
225.10393	2.1
237.10333	3.6
237.14034	0.4
238.11099	2.9
239.11922	100.0
240.12296	0.7
252.11435	1.6
257.12958	1.3
264.11624	0.4
264.42065	0.3
265.12393	0.5
265.17108	0.7
278.13058	0.7
279.13760	1.4
291.13800	2.2
292.14645	1.1
293.15414	0.4
293.20200	1.3
303.10153	0.7
304.15521	0.3
305.15497	0.5
306.15967	0.6
307.17032	1.8
308.17743	25.9
318.12561	3.5
318.15994	0.5
319.18219	2.7
320.17685	6.1
332.14258	2.2
333.14890	5.6
334.19296	1.5
336.20886	9.1
344.17783	1.7
345.15079	0.6
347.16415	1.6
360.17252	6.1
362.18820	71.9
363.16342	1.0
376.16644	1.5
378.18280	1.3
380.19858	36.4
392.19901	4.4
406.17783	18.6
410.20901	6.1
424.18866	34.5
425.18933	0.5
436.18909	3.7
454.20020	5.9
543.26294	8.8
573.27258	1.9
587.25287	18.9
617.26300	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	617.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15844	0.2
53.84293	0.2
59.01380	1.4
61.98857	0.5
63.77784	0.3
73.20015	0.3
121.05352	1.7
122.06139	0.3
124.07667	1.6
134.06116	4.1
136.07677	24.5
138.09256	1.7
145.07697	0.7
147.03171	0.3
150.03214	1.2
157.07692	1.1
162.05620	6.0
165.05498	1.0
172.10062	0.5
173.10817	7.9
184.10020	0.4
185.10831	8.0
195.06699	0.4
196.11342	0.3
197.07079	0.5
197.10851	16.4
198.08006	0.6
198.11601	1.8
199.08783	16.5
211.08868	0.4
211.12479	1.2
212.13185	1.5
213.13994	26.0
221.10910	1.5
223.08746	1.2
224.09557	0.3
225.10352	2.3
237.10347	2.7
237.13991	0.4
238.11108	2.9
239.11914	100.0
240.12154	1.2
252.11429	1.7
255.83945	0.3
257.13046	1.5
264.11380	0.4
265.12152	0.5
265.17099	1.5
277.12115	0.5
278.12900	0.4
279.13885	1.7
290.13095	0.5
291.13892	1.6
292.14642	1.3
293.15402	1.4
293.20297	1.8
303.10165	0.5
304.15524	0.7
306.16367	0.5
307.16931	1.5
308.17740	27.1
309.18015	0.4
317.11765	0.4
318.12521	3.9
318.16086	0.9
318.19730	0.4
319.13754	0.4
319.18054	3.0
320.17734	5.9
321.18576	0.5
331.13129	0.5
332.14270	2.5
332.17700	0.5
333.14874	6.0
334.19293	1.3
336.16870	0.4
336.20880	8.9
344.17746	1.5
345.15021	1.0
346.15463	0.6
347.16501	1.8
360.17215	6.5
362.18802	73.9
363.16113	0.4
363.19034	1.3
376.16736	1.7
378.18311	1.2
380.19830	38.8
381.20050	1.2
392.19843	3.5
394.08145	0.3
406.17749	18.4
410.20908	5.4
424.18832	35.5
425.19229	1.1
436.18842	4.1
454.19952	4.8
543.26385	9.3
544.26733	0.3
573.27380	2.0
587.25238	21.2
588.25757	0.4
617.26257	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	616.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02741	2.0
58.02967	17.8
58.05336	2.5
74.02466	27.7
76.57818	2.2
82.03005	5.1
84.18649	2.5
86.02502	14.2
87.05654	9.8
96.96017	35.1
99.05640	34.1
101.07201	2.9
102.05592	2.6
109.04113	3.6
111.79930	3.0
116.70900	2.9
123.05632	2.6
125.76063	2.5
127.05145	5.0
128.03534	82.6
135.05638	9.4
141.06732	3.2
143.04634	100.0
146.04639	11.3
151.00401	3.1
153.06691	4.3
160.00722	10.0
165.12869	3.8
167.04622	4.7
167.08315	5.3
179.04585	19.0
194.44525	2.7
210.08882	23.2
217.81299	2.7
247.20735	3.2
254.07883	39.3
271.06119	3.3
272.08887	71.5
288.06546	2.7
291.19736	10.4
306.07648	32.3
343.19299	3.9
457.28220	3.0
487.24747	3.5
497.52216	3.1
529.20569	2.7
556.23932	2.8
616.29364	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63257	0.7
61.98833	100.0
63.99255	1.3
77.79077	0.7
79.24154	0.7
80.09591	0.7
101.95497	0.9
120.82338	0.7
135.03023	0.9
147.31950	0.8
152.99586	1.3
161.93594	0.8
178.11031	0.8
186.08684	0.8
234.93500	1.0
237.47755	0.8
432.48016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41436	1.4
59.01387	5.9
61.98840	6.0
83.01387	1.6
87.06557	1.3
92.10768	3.3
93.79879	1.4
96.01073	1.3
119.05061	1.4
122.06071	1.6
133.05299	1.7
134.06131	2.3
136.07668	21.3
138.09218	1.4
153.02948	1.3
162.05603	9.4
173.10875	5.8
182.55824	1.3
185.10881	11.2
197.10808	16.4
199.08763	19.0
207.56252	1.7
209.11832	2.2
213.14003	21.9
225.10367	2.1
237.10268	2.0
239.11923	100.0
264.11551	1.7
271.06296	2.1
290.13022	2.0
308.17776	40.1
318.12485	5.8
318.16144	1.9
319.18185	2.6
320.17667	8.6
332.14130	2.0
333.14905	8.9
336.20911	9.4
345.14548	2.0
360.17203	5.3
362.18835	84.5
363.16562	2.6
376.16318	1.9
378.18759	1.9
380.19873	35.0
392.19839	5.7
406.17831	32.3
410.20999	6.0
424.18906	36.0
430.81076	1.5
436.18671	11.0
454.20001	5.6
531.72607	1.6
543.25940	11.7
573.26642	2.9
587.25134	26.4
617.25946	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	615.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17487	0.4
55.01892	3.9
55.24989	0.5
56.68356	0.4
57.03462	2.8
58.00600	2.1
59.01389	72.0
61.18556	0.4
69.03480	1.0
71.01386	44.5
71.05016	0.6
72.99318	3.0
73.02946	20.5
75.00873	0.9
83.01382	6.1
85.02954	21.4
85.03452	0.7
87.00877	7.4
87.04526	1.2
89.02441	37.9
95.01389	3.6
96.49696	0.6
96.95998	1.4
97.02934	2.4
99.00903	3.4
99.04530	1.4
100.80733	0.5
101.02436	44.2
103.04012	5.9
109.02938	0.7
113.02451	17.9
115.04014	3.1
116.92853	0.7
119.03482	15.8
121.02879	0.7
125.02449	2.7
127.03955	2.6
131.03484	7.8
143.03503	10.5
145.05069	8.1
149.04562	0.8
159.02962	0.9
161.04564	12.0
163.06122	8.7
179.05609	10.3
205.07184	12.1
221.06731	2.6
224.66129	0.6
229.29974	0.7
247.08203	1.2
247.11690	0.6
265.09360	0.8
325.11481	2.1
367.12454	37.5
370.19281	0.6
388.31641	0.6
393.17758	10.5
427.14609	2.9
443.89224	0.5
474.84344	0.7
550.11053	0.8
555.22986	100.0
556.22748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3907
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester hexadecanoic acid
Peak:m/z	Relative Intensity
51.20610	0.8
54.82243	0.8
61.98829	16.9
78.95899	5.4
86.79171	1.0
94.65930	0.8
106.06071	0.8
120.62075	0.7
121.02915	1.2
122.03731	1.2
135.04520	3.5
145.02957	1.4
147.04581	1.1
149.06136	1.6
152.99579	10.2
156.33112	0.9
162.06854	7.9
163.07620	1.4
165.81331	0.9
174.06837	5.4
175.07623	2.0
180.07944	2.0
186.73047	0.9
206.99226	0.9
212.06970	1.1
221.89203	0.9
225.22331	8.2
227.10571	0.9
253.21806	1.3
271.22803	100.0
289.17978	1.5
295.09833	1.9
310.12082	3.7
331.15494	5.0
340.71912	0.9
343.15430	1.3
434.30533	10.1
435.25183	1.3
446.30417	4.6
447.31097	4.6
567.33258	4.4
585.38116	5.4
597.38141	4.3
615.39148	94.3
616.39600	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	615.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60812	1.1
59.01398	6.1
61.98856	4.3
63.73522	1.0
71.01390	1.2
72.99316	1.5
78.95926	1.8
85.03002	1.1
89.02471	2.2
96.96009	100.0
96.96990	2.6
101.02425	1.4
103.35194	1.0
113.02516	1.4
134.29173	1.1
136.88277	1.2
149.02388	1.5
150.03232	32.8
165.05573	65.9
179.07155	2.1
213.07729	4.3
285.00693	1.1
393.15637	20.9
508.73004	1.7
577.21411	1.5
579.22827	9.8
591.11914	1.3
615.19855	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	615.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06805	2.0
54.14150	1.9
55.01864	2.3
59.01385	88.6
59.64373	1.9
62.45618	2.3
65.19975	1.9
68.57446	2.0
68.77546	2.3
70.99924	2.1
71.01380	37.8
72.08628	2.3
72.99335	3.4
73.02959	15.6
75.00878	37.8
76.57735	2.5
80.72097	2.1
83.01412	9.6
85.02986	10.5
87.00874	4.8
89.02443	39.7
95.01396	2.3
96.96028	3.1
97.02952	3.6
101.02441	38.5
101.16497	2.2
103.04037	9.9
113.02440	16.0
115.04000	2.7
116.92935	3.0
119.03493	13.6
121.02988	2.6
125.02468	9.4
131.03526	3.3
138.03230	2.3
143.03523	2.6
143.15990	2.3
161.04503	4.0
163.03909	2.6
163.06152	19.8
165.96361	2.4
177.01740	2.4
205.07150	12.0
393.17859	26.7
501.69089	2.5
555.14911	4.5
555.23035	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	614.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.48125	0.2
74.92683	0.3
92.14817	0.3
95.59476	0.3
147.00896	0.3
205.04973	0.3
271.22827	0.3
551.32300	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	614.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07230	0.6
52.35710	0.7
56.12876	0.7
59.01382	1.5
61.98844	1.2
69.03473	3.9
79.20094	0.8
81.03473	1.0
95.05018	1.1
97.02948	20.6
97.06585	1.2
109.06696	1.1
119.08692	1.4
125.09760	1.9
137.09708	5.2
137.10692	0.8
163.11310	3.5
163.93071	0.8
165.12854	8.7
171.10263	13.1
179.14583	1.0
181.12311	1.8
193.12375	1.5
209.11836	3.9
223.13489	1.0
227.12936	4.7
247.20650	8.3
273.18619	3.8
287.31000	0.9
291.19684	69.5
309.20764	100.0
334.00793	0.8
376.02515	0.8
458.50128	0.9
583.07233	0.9
621.01825	1.0
634.46692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50887	1.0
56.40582	1.2
60.17966	0.9
80.31512	1.0
88.01842	1.2
90.02876	1.1
99.41766	1.1
126.66786	1.2
190.24074	1.1
231.63194	1.6
279.78534	1.3
283.26453	100.0
437.03485	1.0
445.08090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82713	0.9
55.04946	0.6
58.02984	17.3
59.01394	1.9
60.77117	0.7
61.98833	9.7
62.23812	0.6
64.77673	0.7
66.03522	1.6
68.05034	0.8
70.02981	0.9
71.01410	1.0
72.00900	1.2
74.00684	0.9
74.02474	26.2
75.78380	0.8
81.04585	1.7
82.02979	5.9
84.04578	1.2
86.02491	12.0
86.06128	1.6
87.05653	5.5
88.04015	1.0
92.10048	0.8
94.78604	0.7
97.04087	3.4
99.05638	27.9
100.00412	3.1
101.07227	4.8
102.05624	4.9
107.06161	1.7
109.02976	0.9
109.04068	6.2
111.05673	1.8
112.04059	5.7
123.05663	4.1
124.04008	1.4
125.03573	4.1
127.05162	3.4
128.03537	76.8
135.05637	10.3
136.10423	0.8
137.07217	1.4
141.06700	6.0
143.04628	100.0
145.06166	4.7
146.04619	9.4
149.02480	1.2
149.07278	1.1
151.00375	1.3
153.06680	7.5
160.00725	8.0
166.09834	4.7
167.04588	3.9
167.08318	6.3
169.06204	1.4
170.03290	0.9
171.04193	0.9
177.03412	3.4
179.04640	18.2
181.06158	3.2
184.10928	1.1
185.05659	1.8
191.01572	0.8
192.07787	3.9
197.05768	3.5
210.08862	18.0
245.19101	1.5
254.07837	33.5
271.06137	1.0
272.08884	72.6
288.06708	1.2
289.18057	3.8
306.07703	17.2
307.19205	1.4
341.18106	3.6
388.37885	0.8
596.26471	3.6
614.27618	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	614.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.95403	0.4
118.17499	0.4
140.73076	0.4
237.06436	0.4
257.43408	0.4
275.77908	0.4
289.65451	0.5
341.69199	0.4
551.32159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82927	2.0
59.01384	66.2
71.01387	4.1
74.85407	2.2
85.02929	2.0
89.02448	3.4
92.65789	2.0
96.96033	10.8
100.92532	2.1
101.02465	2.5
108.24465	1.8
112.72578	2.3
113.02440	3.0
119.05034	34.8
121.02859	2.5
136.69057	2.1
149.02415	3.5
151.19379	1.9
163.04012	23.8
164.04639	2.3
170.10536	2.2
179.07167	14.2
187.89041	2.4
207.06561	2.2
210.92122	2.1
239.07185	4.9
240.04311	40.0
246.56862	2.0
251.07202	2.5
255.06520	4.6
267.06638	16.3
268.87250	2.0
269.08121	3.1
270.09058	2.6
279.06735	2.9
283.06216	19.4
293.04575	9.0
294.09006	2.6
295.06155	62.9
298.08493	51.0
309.07538	4.0
310.08533	62.2
311.05554	2.1
313.07318	2.7
313.10837	75.7
325.07083	3.9
325.10861	58.6
340.09570	3.0
343.12167	4.7
361.12961	79.4
373.12964	100.0
374.13318	2.5
391.13962	11.2
415.16214	12.1
577.21222	30.0
613.18970	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	613.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.1
61.98833	4.1
61.99070	0.2
62.24576	0.2
71.01394	0.9
78.69905	0.3
82.57382	0.2
85.03008	0.2
90.07823	0.2
95.95470	0.3
96.96026	0.6
108.02198	1.3
109.02904	0.4
113.02407	0.3
121.02991	0.4
122.03737	4.1
123.04514	1.9
125.02412	0.4
149.02489	0.4
150.03227	100.0
151.03607	0.3
165.05566	67.3
166.06061	0.2
180.04289	20.3
187.32709	0.3
195.06635	66.1
287.06866	0.3
613.21655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96499	1.6
58.02984	10.5
59.01385	2.6
61.98833	9.8
74.02472	16.1
80.25565	1.9
82.02981	2.3
86.02489	7.4
87.05598	3.7
90.00196	1.9
99.05637	17.6
106.08281	1.7
108.70630	1.9
109.04058	2.7
128.02678	3.4
128.03540	47.3
135.05621	3.5
141.06683	2.9
143.04620	66.5
146.04587	2.9
153.06686	4.7
160.00726	10.5
166.09778	2.7
167.04561	2.7
177.03447	3.3
179.04585	13.1
210.08817	10.4
216.99174	2.2
254.07742	10.1
268.58328	2.0
272.08908	11.2
288.06665	3.2
306.07690	100.0
451.86743	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	613.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02634	0.3
54.83097	0.3
59.01389	2.0
60.99004	0.7
60.99313	19.5
61.98834	0.7
68.08581	0.3
69.60680	0.3
71.01387	0.3
87.00842	0.3
88.98805	100.0
89.02434	2.4
92.66312	0.4
98.78764	0.3
116.92855	0.4
119.05003	0.6
128.20387	0.4
129.29155	0.4
148.91003	0.5
161.65916	0.3
225.11180	0.5
361.16574	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	613.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	70.1
59.77493	1.7
61.98847	2.6
71.01414	2.0
76.57478	2.1
90.80410	1.6
96.08908	2.0
96.96002	9.4
110.66471	1.7
119.05024	27.9
123.89124	1.9
125.02453	2.2
149.02487	4.2
163.03999	18.2
164.04605	1.9
179.07138	12.9
196.50760	1.8
223.07800	2.1
239.07173	2.7
240.04277	40.3
255.06535	9.8
265.05090	7.7
266.05991	2.5
267.06638	17.0
269.08121	3.0
270.08917	2.2
279.06668	2.5
280.07153	2.0
283.06119	30.4
293.04504	6.9
293.07791	2.0
294.01141	1.9
295.06146	75.2
295.09467	4.1
298.08475	49.7
310.08499	50.6
313.10861	86.0
325.07013	3.7
325.10818	58.6
343.11990	9.3
361.12985	79.3
373.12976	100.0
384.91852	1.8
391.14108	10.1
409.49100	2.3
415.16107	3.8
443.63785	2.2
577.21442	12.3
613.19501	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	613.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55209	0.3
64.03841	0.3
69.68903	0.3
90.88811	0.4
112.39278	0.3
118.53059	0.4
133.36378	0.4
135.65448	0.5
162.69394	0.3
174.37047	0.4
177.49406	0.4
188.61053	0.4
245.67882	0.4
255.23322	100.0
256.23746	1.7
257.99496	0.4
261.50922	0.4
268.26184	0.4
311.65518	0.4
333.40015	0.4
363.88928	0.4
617.10590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56745	0.6
51.75249	0.9
53.93073	0.7
59.01392	4.6
69.38707	0.8
76.57285	0.9
91.95972	0.8
92.10178	1.0
102.09605	0.9
102.16945	0.7
129.16092	0.7
141.77116	0.8
159.38197	0.9
171.71687	0.9
183.92664	0.9
279.23309	100.0
445.25146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.03741	0.5
73.81720	0.6
79.26043	0.7
81.33999	0.6
183.33789	0.7
258.59329	0.6
268.27509	0.6
547.54578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78840	66.3
56.84986	72.8
66.53375	70.9
76.44398	78.7
78.95943	86.9
98.04152	84.1
143.47145	89.8
149.59038	84.5
338.55823	86.7
633.42487	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	611.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26725	1.1
56.93632	1.1
59.01384	27.0
61.98853	7.4
65.00343	2.0
71.01400	10.1
73.02986	2.0
75.00875	1.5
76.57761	1.3
79.01915	1.3
83.01402	2.9
83.08562	1.3
85.03003	5.4
88.02695	1.3
89.02476	7.5
93.03481	3.3
95.05015	1.2
96.96016	3.0
97.02930	2.1
99.00883	1.6
101.02462	8.7
102.52447	1.4
107.01404	13.0
109.02976	10.6
111.04617	1.7
113.02496	4.9
119.03519	1.5
119.05078	2.1
121.02953	5.2
123.00900	1.9
123.04547	5.9
125.02440	14.9
128.03481	1.2
130.08751	2.4
134.26416	1.2
135.04524	100.0
137.02449	6.8
139.04039	7.9
147.04491	4.7
149.02495	6.0
151.00375	7.6
151.04013	2.0
155.03575	1.6
159.04559	2.2
161.02452	6.8
163.00394	3.0
163.04028	6.6
165.01938	12.0
167.03499	10.7
177.01924	5.2
177.05534	2.0
179.03522	6.6
189.02002	1.5
191.03453	5.3
193.01416	16.0
197.04439	1.9
203.03627	1.8
205.01480	8.5
206.02258	1.6
207.03049	5.7
209.04637	10.4
219.03012	2.3
223.02538	9.3
235.02516	37.5
239.05576	5.9
244.77982	1.3
247.02527	2.1
265.03552	23.3
295.04709	6.9
329.06702	1.4
359.07983	1.8
371.07800	48.5
389.22006	2.4
401.08813	36.8
413.08990	2.3
431.09717	11.2
473.11093	3.2
491.12064	24.1
503.12076	1.5
521.12738	2.4
551.27002	12.1
579.15857	1.3
593.15521	2.5
611.16193	23.1
622.71155	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18312	0.3
56.51753	0.3
59.01378	1.9
60.43913	0.3
60.99007	0.8
60.99308	19.4
62.28337	0.3
70.73273	0.3
71.01385	0.6
87.00876	1.4
88.00385	0.8
88.98798	100.0
89.02437	11.2
92.10144	2.2
99.04503	0.4
133.66714	0.4
135.04518	0.5
151.00406	0.6
198.56332	0.4
287.05902	0.4
404.12845	0.4
567.89502	0.5
580.65112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65201	0.8
61.33191	0.9
61.98829	13.6
63.96253	1.1
71.01379	8.7
73.02946	1.2
74.48425	1.0
78.98593	7.1
79.95730	16.5
80.96516	84.3
81.03475	1.1
85.02952	4.8
87.00866	2.1
94.98083	21.3
96.95972	1.2
97.02961	1.4
101.02439	4.3
103.08147	1.0
106.98098	1.6
122.97583	9.3
125.02431	4.9
125.16848	1.0
134.97575	7.2
136.99129	1.4
148.99178	9.5
152.98634	8.5
156.01099	1.0
164.98639	13.9
182.99710	4.1
206.99692	2.2
225.00749	24.9
243.01877	1.3
299.04446	4.7
311.22174	3.9
465.37259	1.1
492.07251	1.1
544.83569	1.1
611.27563	100.0
612.28082	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.0
55.36824	2.1
57.03453	3.4
59.01388	100.0
59.01688	3.4
59.85325	1.8
60.37782	1.8
61.98835	3.4
65.34773	1.9
71.01395	35.4
73.02952	13.4
83.01396	3.7
85.02957	16.9
89.02446	16.4
92.64667	1.8
93.03415	2.0
96.96021	14.8
99.00865	4.7
101.02459	19.1
103.40842	1.9
108.49180	2.1
113.02452	21.4
119.03511	4.4
121.02949	10.0
125.02380	2.0
139.84477	2.0
145.06096	2.3
150.03220	4.3
151.00430	2.8
159.02956	2.1
159.30254	2.4
161.04523	10.7
165.05547	5.1
209.04587	4.7
227.16585	4.3
389.22067	18.2
527.55322	2.5
532.51050	2.6
551.27179	63.7
563.21179	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	608.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39268	0.1
59.01378	0.3
61.98833	100.0
80.96542	0.2
121.20445	0.1
144.62541	0.2
155.86349	0.2
311.21460	0.3
591.98981	0.2
608.25342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86294	0.3
59.01398	0.4
61.98836	100.0
79.61751	0.2
108.42255	0.3
126.14365	0.2
150.89046	0.3
241.72853	0.3
293.21429	0.3
311.22125	0.5
312.22516	1.1
325.98285	0.3
442.07870	0.3
505.71173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82563	0.3
59.01356	0.2
65.39645	0.2
73.02966	0.2
73.99192	0.2
78.95901	0.3
79.68277	0.2
94.99303	0.2
99.92580	10.4
116.92858	100.0
124.17982	0.3
149.07591	0.3
152.99594	0.3
161.08974	0.3
177.34882	0.3
203.25662	0.2
221.81525	0.3
267.05743	0.3
406.98743	0.3
432.32327	0.3
618.94916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82301	0.5
59.01382	1.7
59.06868	0.4
61.98831	12.7
63.96230	0.6
69.03474	0.5
71.01380	9.8
73.02931	3.1
78.95909	0.5
78.98592	6.3
79.34326	0.5
79.95732	23.3
80.96513	83.5
81.03469	0.9
83.01388	0.8
85.02945	3.8
85.75840	0.4
87.00883	3.1
88.98799	0.5
92.10771	0.5
94.98083	20.0
95.01415	0.6
96.96013	1.8
97.02940	1.1
99.00896	0.6
101.02448	3.4
106.98091	4.5
115.03963	0.4
122.97563	7.6
125.02444	4.1
127.04040	0.6
134.97591	6.2
136.99159	1.9
148.99158	7.8
152.98639	10.1
164.98619	15.3
167.00116	0.5
182.99693	4.7
201.59273	0.4
206.99800	4.9
224.98595	0.9
225.00781	25.7
231.06456	0.5
243.01793	2.7
261.77820	0.5
263.69193	0.5
271.02496	0.5
291.19766	0.9
292.22827	0.5
299.04453	4.2
309.20627	0.6
371.06671	0.8
385.07797	0.6
481.17453	2.8
488.49084	0.5
501.87057	0.6
609.25952	100.0
610.26257	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
52.75454	0.8
57.03437	0.8
59.01379	13.3
61.98825	18.6
67.84678	1.0
71.01380	4.6
71.97477	1.0
73.24368	1.0
80.08995	1.0
83.01377	1.4
89.02422	7.4
101.02461	6.0
104.02245	0.9
113.02432	2.4
129.05632	0.9
135.08832	1.2
139.11224	1.2
163.11221	2.3
165.12897	1.2
204.41222	1.4
211.13445	2.4
249.22200	5.4
253.09340	22.1
291.19888	1.2
293.21259	94.9
311.22311	100.0
312.22708	1.2
407.12714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82916	2.1
59.01393	3.7
60.60287	1.3
61.98833	48.8
61.99125	2.8
69.03471	2.7
78.96450	1.6
85.19135	2.1
167.10768	2.8
179.14441	3.7
195.13921	17.7
205.12375	10.5
223.13411	100.0
240.65654	1.5
253.09349	3.0
311.22391	18.9
374.91180	1.8
432.22537	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	608.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96585	0.1
57.32688	0.1
59.01380	0.3
60.91071	0.2
61.98831	100.0
70.28135	0.1
76.13593	0.2
106.11698	0.2
182.12685	0.2
199.08632	0.1
225.00533	0.2
291.19687	0.3
292.19922	0.4
310.20908	0.6
311.21359	0.3
456.99918	0.2
464.37851	0.2
609.26520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38151	1.7
53.16157	1.6
53.79768	1.8
59.01397	15.3
66.62222	2.1
70.45155	1.9
71.01405	2.9
83.01415	3.4
85.02962	2.2
87.52414	1.7
91.76340	1.7
92.65746	1.8
93.03468	3.4
97.58542	2.0
101.02542	1.9
101.30637	2.1
112.04076	16.4
116.92878	7.4
118.06641	15.0
119.05029	9.3
122.06116	15.7
124.03994	16.4
134.03709	2.4
134.06091	3.6
135.92590	2.2
136.07695	3.8
137.02502	2.9
138.05606	17.3
140.07201	4.9
146.06114	9.2
149.85603	1.9
150.05579	2.1
151.00366	14.4
155.68484	1.8
160.04056	9.1
161.04823	28.5
161.07176	2.0
162.04269	3.7
162.05614	100.0
164.03552	2.8
174.05553	2.8
175.04086	2.8
182.04562	3.6
184.06108	26.4
190.05145	3.6
192.03146	2.5
193.03810	18.9
214.08784	9.9
226.12451	4.6
230.10570	2.5
239.08220	3.5
242.11978	4.2
243.11453	3.1
253.09814	42.9
254.10725	2.3
257.13000	4.0
258.13724	11.4
259.14557	15.0
265.10172	2.4
267.11365	18.0
268.12173	31.8
269.12985	23.7
271.06140	19.0
271.10922	8.5
285.12524	15.3
300.11096	8.1
312.11203	4.1
313.11978	3.5
329.11801	2.8
330.12225	10.2
331.13116	8.7
373.17587	2.2
405.96011	2.1
420.19345	65.5
527.26160	3.3
571.25830	31.2
589.26782	36.9
607.28058	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47917	0.9
52.79049	0.8
54.88005	1.0
55.68713	0.9
55.85183	1.0
57.55053	0.8
58.66008	0.7
59.01395	8.9
61.98850	5.7
64.52629	0.9
71.01396	2.0
75.29370	0.8
77.12565	0.8
92.65240	1.0
93.03482	1.0
94.06590	1.3
95.05042	1.8
110.02444	1.1
112.04037	9.2
113.02461	1.5
118.06628	13.1
121.05312	1.2
122.06116	14.8
123.03289	1.6
124.04041	11.0
124.07633	3.7
134.06110	1.4
136.07701	11.9
138.05615	15.6
138.09169	1.4
140.07164	5.0
146.06125	8.8
148.04089	1.0
150.05566	4.2
151.00385	1.2
160.04086	9.3
160.07718	1.6
161.04826	37.3
161.07092	3.2
162.05621	100.0
164.03526	4.0
167.05991	1.2
174.05605	2.3
175.02730	1.4
179.05901	1.4
182.04582	2.0
184.06143	23.6
186.09218	1.5
190.05096	5.8
192.03041	6.4
193.03812	25.6
194.04539	1.2
196.07747	1.7
197.08490	1.0
203.05305	0.9
206.04698	1.0
212.07246	1.3
214.08832	7.3
224.10770	1.0
226.12480	6.2
227.12044	1.9
230.10612	1.3
239.08270	7.7
242.11780	4.5
243.07790	3.5
243.11366	6.7
244.12019	1.0
244.13388	1.4
245.12997	1.3
252.09018	4.3
253.09865	36.5
254.10582	1.7
257.09262	1.9
257.12994	3.4
257.36090	1.3
258.10202	1.4
258.13666	8.5
259.14572	13.3
267.11407	20.6
268.09583	2.0
268.12253	27.7
269.10043	1.7
269.12946	20.7
271.06097	1.3
271.10825	12.9
283.10770	2.4
284.08026	1.2
284.11780	2.3
285.12463	15.8
286.13263	6.6
287.13992	1.1
295.10947	1.0
299.13931	2.0
300.11215	6.3
312.11288	4.0
313.11938	2.1
318.12341	1.3
329.11432	2.4
330.12195	5.4
331.13052	8.6
411.95990	1.1
420.19376	87.2
439.87494	1.1
453.19232	1.3
527.26971	1.6
571.25659	27.4
589.26801	28.4
607.27863	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73122	0.2
56.25729	0.2
59.01364	0.2
61.98835	100.0
64.55944	0.2
65.54349	0.2
69.36910	0.2
75.55504	0.2
92.65105	0.2
101.27790	0.2
169.33521	0.3
226.50320	0.2
288.18588	0.2
324.50690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1674
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
50.74231	0.8
54.82639	1.0
59.01384	32.2
68.27972	0.7
71.01376	8.6
72.77913	0.8
72.99306	1.3
73.02945	1.2
78.95916	0.9
82.20026	0.7
82.95427	5.2
84.00905	1.0
84.95118	28.8
85.02956	5.6
87.00877	1.4
89.02439	4.6
101.02421	3.7
147.04622	1.1
150.16742	0.8
161.02477	1.2
163.00177	0.8
175.00294	1.7
178.18678	0.8
242.22258	0.9
251.03365	1.3
280.03802	33.0
284.03256	4.7
296.03238	3.1
297.04053	6.4
298.04855	15.2
299.05487	1.5
307.02570	0.9
308.03296	100.0
309.03903	7.7
311.05746	1.2
313.07172	3.4
323.05652	69.2
326.04437	1.2
341.06781	17.3
344.05472	3.2
353.06644	1.8
371.17014	1.1
428.07538	1.2
443.09863	74.3
444.10339	1.1
487.12595	5.1
547.23956	1.4
607.16730	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34991	1.2
58.62982	1.3
59.01379	16.9
60.65691	1.7
62.18319	1.4
65.18526	1.3
71.01399	6.7
78.95952	2.4
81.11240	1.2
85.02985	2.1
89.02460	6.4
92.10217	2.4
96.96956	3.6
101.02443	3.4
114.40221	1.7
119.05053	1.5
120.67464	1.3
121.03020	1.4
123.00871	1.5
124.43707	1.5
130.08722	1.8
135.04527	3.0
149.02434	35.0
152.01161	9.6
163.03996	8.0
164.04793	42.3
165.01889	1.5
167.03444	2.3
169.05067	3.5
179.05775	3.2
179.07124	14.5
190.02724	18.0
193.01390	19.0
193.05115	2.0
205.05081	23.8
206.05833	3.3
208.03801	53.3
221.08319	6.7
223.06134	100.0
265.07248	3.0
385.11456	57.5
457.17682	2.4
628.01300	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	605.383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35771	0.4
54.82955	0.5
55.87995	0.4
57.65164	0.4
59.70895	0.5
64.10579	0.4
74.70303	0.4
76.58041	0.4
86.78892	0.4
93.03448	6.3
115.48870	0.5
125.06087	0.8
138.92725	0.5
145.30052	0.4
148.08939	2.5
150.10501	1.7
151.11333	0.9
154.89682	0.6
163.11287	2.2
165.12843	42.0
175.11353	0.7
176.11983	0.9
177.12856	0.7
191.14445	0.8
217.16019	0.7
217.86444	0.5
244.10805	8.0
247.20668	21.4
273.18640	12.7
291.19678	100.0
292.20111	1.0
313.17905	21.5
328.87979	0.5
455.80496	0.6
521.12207	0.5
547.39014	0.5
605.38336	41.5
606.38947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77652	0.6
54.83054	0.7
57.76389	0.5
59.01404	0.6
61.98833	100.0
83.96017	0.6
88.45478	0.7
141.83589	0.7
188.56421	0.7
192.54462	0.6
243.72804	0.8
263.80215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97865	0.2
59.01390	0.3
60.01683	0.3
61.98832	100.0
84.31655	0.3
103.08013	0.3
105.82535	0.3
165.02635	0.4
177.01915	0.5
201.02200	0.3
209.11885	0.3
314.62238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98775	0.8
59.01381	17.0
61.98840	16.9
71.01379	9.5
80.25722	1.0
83.01373	1.1
85.02979	2.6
89.02454	8.8
92.10825	2.0
97.04730	1.2
97.06563	1.0
101.02431	9.8
113.02452	4.2
113.09701	1.2
115.07622	1.1
116.92909	1.0
127.07680	1.3
141.09181	1.1
165.12819	4.7
167.14380	1.6
171.50688	1.1
181.12306	4.1
187.22870	1.2
193.12270	1.2
195.13872	2.0
209.11855	2.3
211.13428	4.2
221.15457	4.6
240.13522	1.4
241.14677	1.4
247.20567	2.3
253.09332	17.4
273.18723	1.9
291.16559	2.0
291.19708	48.5
298.71320	1.1
309.20755	100.0
355.37006	1.2
545.29834	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83335	0.8
54.91310	0.7
55.34941	0.9
56.79483	0.7
57.03485	0.6
58.87080	0.7
59.01385	22.9
59.01657	1.3
61.98828	1.1
69.03466	1.7
70.45847	0.9
71.01381	11.2
71.05061	0.9
73.02941	1.2
79.68021	0.7
81.03461	0.8
83.01403	1.1
85.02962	1.2
87.00867	0.7
88.12428	0.7
89.02428	6.9
90.68103	0.7
97.02945	9.6
101.02448	11.4
111.08186	1.2
113.02462	4.6
119.03471	1.3
120.85240	0.8
125.09682	3.6
127.62341	0.8
137.09702	1.9
161.04588	3.9
163.11293	4.2
165.12846	8.0
171.10324	8.5
177.75658	0.8
179.14444	1.8
181.12320	1.4
193.15930	1.1
197.11775	4.1
209.11830	6.9
211.13406	3.4
227.12935	3.3
247.20740	7.6
253.09305	30.8
273.18634	1.9
291.19705	72.4
309.20758	100.0
524.62573	0.9
545.29773	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	605.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60999	1.0
78.23251	0.8
129.14015	1.0
184.22728	1.1
321.88422	1.1
372.08743	1.3
420.14774	1.2
429.17477	1.6
430.17990	12.4
434.68347	1.4
443.49179	1.1
444.19400	4.8
445.20395	100.0
446.20911	1.6
459.21976	17.0
460.23029	3.9
504.21738	47.7
518.23138	9.5
519.24054	49.0
573.25262	1.5
605.27844	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01384	15.9
59.01683	0.6
61.98844	0.6
63.10514	0.4
69.03433	0.4
71.01375	5.4
73.02932	0.6
77.04859	0.3
80.02650	0.3
83.01410	0.8
85.02521	0.3
85.02937	2.3
87.00906	0.5
88.98824	0.3
89.02441	7.1
90.41872	0.3
95.01405	0.4
97.02953	1.3
97.06533	0.4
98.84753	0.3
101.02441	6.3
110.03811	0.3
111.08157	0.5
113.02470	2.2
119.03509	2.2
123.04531	0.4
125.02388	0.4
125.09723	1.5
137.09741	0.3
141.12862	0.8
151.00397	0.4
161.04572	1.7
163.11301	4.9
165.09181	0.7
165.12846	7.3
166.09935	0.4
171.10182	0.5
179.05663	0.7
179.14391	2.9
181.12358	2.9
185.11957	0.4
189.12881	0.5
193.15959	2.4
197.11801	2.6
209.11754	2.2
211.13593	0.5
223.13426	3.1
225.11334	0.6
239.57991	0.3
247.20665	10.0
253.09314	20.2
271.06241	0.3
273.18625	3.4
274.49411	0.3
286.04968	0.4
291.19696	100.0
292.20023	0.6
309.20761	97.5
310.21216	1.4
429.53320	0.3
464.90305	0.4
491.27548	0.3
546.56506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64622	0.5
55.88739	0.6
56.43095	0.6
57.03456	4.3
59.01381	1.3
69.03463	7.4
71.01377	6.0
73.02934	0.7
77.40652	0.6
82.02982	0.9
83.01355	0.6
85.02948	75.5
86.02502	0.9
86.06097	1.0
87.04523	5.4
91.42180	0.7
94.02983	1.1
95.86727	0.6
96.00901	1.2
96.04546	100.0
97.02937	12.7
98.02452	1.2
99.00871	6.3
99.04577	1.1
101.02418	1.2
111.04544	1.5
112.04064	4.4
113.02423	1.1
114.05585	0.9
115.04015	4.4
126.05609	1.6
128.03520	7.4
129.01935	20.4
131.08371	0.9
139.04083	1.0
140.03542	8.9
141.01965	5.8
142.01486	3.0
144.03065	1.5
153.19554	0.8
156.06686	0.9
158.03439	1.0
158.04607	20.2
159.02885	1.0
172.02502	1.1
184.02557	0.9
197.19084	0.7
200.05629	6.1
201.04025	1.3
202.03572	4.5
218.06703	1.7
219.05022	4.9
230.45995	0.7
262.05698	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83025	1.2
59.01383	18.0
61.98840	5.4
62.46790	1.4
78.95892	9.2
83.56949	1.3
152.99548	2.2
165.65028	1.3
178.10065	1.4
183.01520	1.3
202.73993	1.4
207.89650	1.3
242.07803	1.6
305.24902	100.0
415.88907	1.3
481.64072	1.7
502.03058	1.5
530.32605	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	605.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38279	0.6
53.33132	0.6
58.90629	0.6
59.01389	1.0
61.98813	1.2
70.86824	0.7
78.95950	1.2
99.92593	8.7
116.92850	100.0
116.97236	8.0
139.22298	0.6
157.78401	0.8
200.67177	0.8
203.05362	0.7
240.44727	0.7
314.49548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05880	1.0
55.98178	0.9
57.73722	0.9
59.01384	8.6
61.98836	8.6
71.01402	1.6
73.48315	0.9
85.02956	1.1
87.00936	1.1
88.98817	4.7
92.10810	1.2
96.96031	1.7
110.67158	1.1
114.35832	1.3
114.38499	1.4
119.05017	1.9
121.02971	4.6
121.15990	1.1
123.04522	1.5
124.07673	5.1
134.03748	2.2
135.04512	9.1
136.05304	6.1
136.07664	1.7
137.02440	1.8
138.05605	2.5
147.04530	4.6
148.05312	6.1
149.06100	7.7
150.03224	2.5
150.05655	1.9
151.04005	1.6
151.07680	1.5
160.05304	6.1
161.06073	27.8
162.03230	1.8
163.03972	2.4
165.05559	2.6
170.40179	1.1
173.06096	1.8
177.05556	4.3
178.04935	1.2
179.03540	2.3
180.07907	6.0
181.08731	22.2
182.05602	1.2
190.06392	9.5
191.07161	14.3
192.07932	19.7
193.08713	15.1
195.06633	18.4
209.08170	13.4
210.09019	1.3
225.10468	1.1
241.13187	1.2
255.06769	1.7
261.58594	1.2
263.07053	1.7
269.08267	13.9
283.09665	1.8
285.11328	6.4
296.10532	2.1
297.11417	8.7
299.09222	4.3
300.10043	9.7
312.10126	5.5
313.10965	2.4
314.11761	6.5
315.12402	39.4
316.13153	1.8
317.13916	1.6
327.12271	1.5
328.13165	2.5
329.14096	2.3
346.14264	12.7
347.15146	15.0
359.15100	1.7
424.18759	2.2
435.75809	1.4
442.19669	6.1
443.20792	1.2
453.99341	1.2
477.17480	12.1
500.74155	1.3
508.19556	100.0
509.19775	1.6
510.17593	1.8
561.23999	1.2
605.26117	9.2
622.20306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32862	7.9
52.29210	9.7
64.99810	10.4
78.95905	12.5
85.44730	12.1
96.58912	11.1
97.02948	12.1
98.03736	11.9
152.99539	10.7
153.09201	12.5
171.10258	21.7
171.16814	9.5
185.11722	17.0
191.14403	11.2
245.19150	17.0
281.04004	12.2
289.18097	94.6
291.19818	77.7
293.21167	43.7
295.22733	95.8
307.19241	100.0
309.20779	92.4
311.21960	13.5
325.20004	16.7
427.61633	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	604.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38900	0.4
55.68786	0.4
56.35107	0.4
57.03449	2.1
61.98828	21.9
63.02403	0.5
65.00318	4.8
75.22736	0.4
83.01392	2.4
93.03450	1.0
98.90314	0.6
107.01402	5.4
108.99292	0.9
117.03475	4.1
119.05022	16.5
122.03792	1.0
125.02437	10.5
133.02934	0.9
143.05028	10.9
145.02933	4.8
150.03203	0.6
151.00369	16.6
155.08675	0.7
157.02887	2.1
157.06590	15.7
159.04514	60.8
160.47522	0.5
161.06071	2.4
173.06007	0.5
175.07608	5.3
177.00468	0.9
177.01924	15.6
181.06647	1.0
183.04491	10.0
185.02440	9.5
185.06062	3.8
187.04019	5.5
199.03960	2.5
199.07649	11.0
201.05585	51.2
203.07260	0.8
207.04498	0.7
225.05597	10.5
227.03561	6.5
229.05048	7.5
239.07092	0.8
243.06635	19.4
263.07187	0.5
267.06668	3.3
269.04599	5.1
293.04483	2.1
295.05972	0.8
303.10260	1.2
309.07700	1.9
311.05704	10.5
319.06064	0.8
335.05679	1.9
345.07657	12.7
345.11496	2.8
351.08957	3.7
353.06729	2.5
361.07401	1.0
362.08011	0.8
363.08774	15.4
371.09329	1.9
380.93298	0.6
389.10361	24.3
395.07755	3.2
415.08289	10.0
541.11462	100.0
542.11597	1.0
634.38989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52120	0.5
55.60307	0.5
61.98833	76.1
65.00340	3.4
68.99818	0.7
77.68109	0.5
82.31692	0.5
83.01418	2.9
93.03445	4.6
107.01400	5.6
110.00093	2.1
111.00938	1.1
117.03444	0.7
118.50687	0.5
119.05025	40.3
120.99319	1.1
123.00916	1.0
124.01641	0.6
125.02439	2.5
133.02982	0.9
136.98819	1.9
139.00386	0.7
143.04999	3.9
145.02953	5.0
145.06630	0.7
148.98820	0.7
149.99599	1.2
151.00375	16.5
155.05032	0.8
157.06572	1.0
159.04544	0.9
162.27271	0.6
164.01173	3.4
165.99095	2.7
166.99843	3.1
169.06570	3.8
171.04509	3.3
173.06169	2.4
176.01161	0.7
177.01976	2.5
181.06567	0.8
183.04510	1.2
185.06082	2.0
187.03835	0.7
192.00745	0.8
196.00160	1.3
197.06020	1.3
199.03925	1.9
199.07793	0.6
201.05658	6.3
211.07672	0.6
213.05524	2.1
221.15276	0.5
222.16071	0.5
224.04716	0.6
225.05573	2.6
227.03592	0.7
227.07135	3.0
241.05112	10.3
243.06622	5.1
255.06657	0.7
259.90417	0.7
269.04584	23.2
270.05328	8.3
271.06116	2.7
281.08234	0.6
283.06140	1.2
295.06088	2.3
309.07901	1.3
311.05685	0.9
349.07220	2.2
351.08704	1.3
353.06714	2.0
377.06723	2.7
389.10394	15.5
393.06161	0.8
395.07809	9.7
415.08438	0.8
421.05759	2.9
457.09326	2.3
473.12292	0.7
497.12350	5.4
541.11493	100.0
542.11816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64622	0.5
55.88739	0.6
56.43095	0.6
57.03456	4.3
59.01381	1.3
69.03463	7.4
71.01377	6.0
73.02934	0.7
77.40652	0.6
82.02982	0.9
83.01355	0.6
85.02948	75.5
86.02502	0.9
86.06097	1.0
87.04523	5.4
91.42180	0.7
94.02983	1.1
95.86727	0.6
96.00901	1.2
96.04546	100.0
97.02937	12.7
98.02452	1.2
99.00871	6.3
99.04577	1.1
101.02418	1.2
111.04544	1.5
112.04064	4.4
113.02423	1.1
114.05585	0.9
115.04015	4.4
126.05609	1.6
128.03520	7.4
129.01935	20.4
131.08371	0.9
139.04083	1.0
140.03542	8.9
141.01965	5.8
142.01486	3.0
144.03065	1.5
153.19554	0.8
156.06686	0.9
158.03439	1.0
158.04607	20.2
159.02885	1.0
172.02502	1.1
184.02557	0.9
197.19084	0.7
200.05629	6.1
201.04025	1.3
202.03572	4.5
218.06703	1.7
219.05022	4.9
230.45995	0.7
262.05698	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17441	1.5
51.89840	1.6
52.34392	1.7
56.07603	1.6
61.33416	1.7
62.15230	1.7
62.78646	1.6
68.04977	1.5
72.48833	1.8
74.43427	1.8
79.19741	1.6
96.87626	2.0
97.06557	1.8
106.39136	1.9
111.08162	3.1
113.09718	3.4
127.11293	2.8
129.09221	2.6
153.05873	1.9
153.12831	7.3
155.10777	7.7
165.12819	7.8
167.10760	2.9
169.12311	3.2
169.14503	1.7
171.10196	3.4
174.54292	1.6
181.12315	11.4
197.11909	16.7
211.13426	3.1
215.12704	3.0
247.20663	8.4
249.22272	2.6
273.18515	3.1
276.73044	2.0
291.19672	41.8
291.22589	3.4
293.21286	30.2
309.20728	88.7
311.18643	3.2
311.22305	100.0
327.21750	9.4
471.69360	1.8
585.41571	4.1
603.42615	3.9
627.96057	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	603.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32044	2.4
54.82769	2.6
60.79572	2.4
61.98853	3.7
70.29469	3.2
71.37274	2.7
92.10122	9.4
92.58157	3.0
95.86097	2.8
120.90225	3.2
139.11238	3.7
181.12341	4.9
187.33986	3.1
197.11742	3.1
247.20570	10.8
291.19608	44.9
293.21234	49.3
309.20792	99.7
311.22336	100.0
603.42529	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	603.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	40.8
61.98842	3.5
66.69317	0.8
83.05044	3.9
91.01214	0.7
163.11340	3.8
165.12836	1.1
171.10272	5.6
176.01253	0.8
191.10974	0.8
198.49332	0.8
209.11859	100.0
227.12959	8.5
247.13377	1.9
252.72131	0.9
314.45798	0.7
467.53665	0.9
475.26993	1.0
541.11456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66683	1.6
61.98842	3.5
69.62721	1.6
134.72263	1.7
153.12889	2.7
177.40681	1.6
179.95889	2.1
181.12296	9.3
234.81680	1.7
291.19681	10.6
293.21304	13.4
309.20776	26.4
311.22324	100.0
345.99847	2.2
370.06424	2.1
389.87729	2.1
424.17444	1.9
585.41705	3.0
603.42767	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	603.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82866	0.6
59.01391	3.8
59.01662	0.5
71.01402	1.1
71.08564	0.6
71.60394	0.6
82.95512	0.7
83.05061	0.7
89.02473	0.7
108.04579	4.2
110.06119	5.5
119.04967	0.8
121.05333	1.6
123.51583	0.7
134.06151	4.9
135.04539	0.9
136.07683	30.0
162.05621	5.6
171.71692	0.7
173.07283	0.9
173.10945	1.0
184.10080	1.3
187.84236	0.7
197.10881	6.2
197.12480	0.8
199.08887	0.7
210.10316	1.0
211.12447	0.8
213.06851	0.9
213.14018	21.0
214.07504	1.2
215.08261	8.6
225.09113	3.3
236.11955	0.9
237.10347	5.4
238.11113	4.4
238.13403	0.9
239.11932	32.3
239.14345	1.1
241.09877	3.4
251.10611	1.0
252.11452	4.3
252.14999	1.2
253.12225	0.8
255.11447	1.4
264.11441	4.2
264.15097	4.5
268.08582	3.1
269.09363	1.0
276.15094	3.8
278.12946	1.0
279.10110	3.6
282.30402	0.9
290.13071	4.8
291.13678	1.2
292.14627	1.1
294.16183	33.2
304.14673	2.6
305.16586	3.0
306.12863	1.0
306.16190	15.1
307.17023	0.8
318.12579	2.7
318.16193	1.6
320.17667	1.6
322.19266	15.4
330.16202	7.2
332.14227	1.4
333.15027	2.9
346.15594	3.6
347.12698	2.8
348.17218	100.0
349.15720	3.0
362.15112	1.6
366.18286	71.3
376.16785	0.8
378.18314	24.0
392.16263	15.0
396.19421	12.3
410.17108	1.2
422.17282	37.3
440.18335	63.3
529.24890	0.8
559.25818	3.8
603.24683	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65749	0.8
59.55415	0.8
60.99306	23.9
61.07771	0.8
61.98833	1.5
68.26891	0.8
70.67800	0.7
87.00887	1.1
88.00415	1.4
88.43983	0.9
88.98798	100.0
89.02437	15.1
92.10864	1.9
97.07022	0.9
244.98334	1.1
279.68167	1.0
284.32928	1.0
311.96423	1.1
342.24362	0.9
373.99298	1.2
549.68390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.9
59.01385	76.4
61.98848	11.3
69.42061	2.8
71.01385	16.2
72.99341	2.8
75.19892	2.7
80.11002	3.0
87.00879	3.4
89.02448	15.4
101.02446	18.0
104.31078	2.7
110.03744	2.8
113.02464	5.7
123.04488	3.2
125.09680	5.9
137.09731	5.4
139.77785	3.1
161.04558	3.3
163.11264	12.4
174.01660	11.2
183.57489	3.2
185.11885	5.4
191.14441	15.7
209.11871	39.3
211.13408	3.3
237.11263	4.1
245.19116	24.7
253.09299	39.9
270.04636	3.3
271.17081	6.1
289.15060	5.5
289.18134	100.0
306.42612	3.6
307.19199	91.9
412.96191	3.4
472.53909	3.6
540.10565	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	603.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47607	0.8
55.01911	1.0
55.41147	0.6
57.03450	1.9
58.34974	0.7
58.82962	0.7
59.01383	70.4
60.41946	0.6
69.03460	0.9
71.01377	8.8
72.03316	0.7
73.02953	0.8
80.02681	1.0
81.03477	1.6
83.01389	3.3
83.05018	6.7
85.02959	1.0
89.02458	6.3
92.10822	1.5
95.05010	1.6
97.02930	1.9
97.06585	4.2
101.02434	8.9
109.06567	1.6
113.02463	1.9
119.08677	1.2
123.04473	3.8
123.08117	1.0
125.06065	0.9
125.09724	7.0
127.11356	0.9
135.08104	1.3
137.09714	3.6
141.12857	1.0
149.06096	0.9
161.04486	1.9
161.09680	1.1
163.11276	13.5
165.12886	3.6
171.10271	5.7
181.12251	1.5
185.11848	7.4
189.12852	0.9
191.10779	1.4
191.14366	7.4
194.81206	0.8
207.10368	5.9
209.11858	100.0
211.13475	1.3
225.11240	3.3
227.12848	5.8
227.94138	0.9
237.11316	5.4
245.19135	17.8
247.13274	1.0
253.09325	25.6
263.20135	4.3
271.17035	1.7
289.18109	70.3
307.19199	61.7
307.22070	1.4
307.22781	1.6
446.28601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07918	1.1
57.03467	1.5
59.01382	23.0
62.77281	1.2
64.34608	1.2
71.01408	5.7
72.17956	1.2
81.03491	1.7
82.95443	8.4
87.00919	1.2
89.02473	6.1
89.63722	1.1
101.02490	8.9
101.03088	1.3
110.64600	1.2
113.02504	1.6
119.03539	1.8
125.09709	4.4
135.08224	1.8
137.09726	2.8
161.04594	2.4
163.11324	9.2
181.12393	1.3
185.11850	10.2
191.14418	12.7
198.64188	1.3
207.10197	8.5
210.36786	1.3
211.13393	14.2
217.15907	1.9
218.78970	1.2
225.11423	5.6
237.30022	1.2
245.19109	23.4
253.09317	20.5
271.16965	1.4
289.18140	100.0
290.18619	1.4
307.19189	41.1
317.14404	1.4
355.26596	1.3
493.59555	1.3
525.27313	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	602.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.50760	0.3
65.27913	0.3
89.46352	0.3
100.50456	0.3
256.27966	0.4
274.42432	0.4
465.10867	0.4
553.91241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
65.31915	0.3
73.02966	0.8
77.62117	0.3
92.10146	0.4
99.00882	0.6
99.92587	9.3
116.92860	100.0
116.97253	7.9
117.01907	1.7
117.92845	0.4
134.11446	0.4
136.61072	0.3
241.36102	0.4
299.60138	0.3
483.69495	0.4
485.32123	0.4
528.45319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
68.65177	0.2
91.01865	0.3
101.02420	0.3
120.02170	1.8
121.02956	100.0
122.03283	0.4
135.04517	0.4
136.01602	0.7
160.10361	0.3
209.04587	49.8
245.89453	0.3
423.73669	0.4
441.17438	0.5
491.92703	0.3
519.39117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
68.65177	0.2
91.01865	0.3
101.02420	0.3
120.02170	1.8
121.02956	100.0
122.03283	0.4
135.04517	0.4
136.01602	0.7
160.10361	0.3
209.04587	49.8
245.89453	0.3
423.73669	0.4
441.17438	0.5
491.92703	0.3
519.39117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92260	0.6
54.82943	0.6
59.01385	1.3
62.28810	0.5
64.35056	0.7
67.84243	0.7
71.01373	1.1
81.00778	0.8
83.05024	1.1
108.04564	1.7
110.06124	6.6
121.05344	1.4
122.06162	0.9
134.06094	4.9
136.07671	32.1
153.26163	0.8
162.05630	6.6
173.10817	0.8
180.86795	0.8
181.34807	0.7
184.09953	0.9
185.10806	3.4
197.10995	5.7
197.12456	0.9
198.11575	1.1
211.12488	1.1
212.13205	1.1
213.13985	20.8
221.10625	1.0
225.09113	3.8
227.23238	0.8
237.10405	6.2
237.13802	0.8
238.11237	2.2
238.13408	1.2
239.11926	34.0
250.09833	0.8
252.11412	5.7
253.12099	1.0
264.11429	5.8
264.15002	3.7
276.14954	4.1
278.12720	0.9
279.10101	3.0
279.13544	0.9
290.13000	3.6
291.13953	1.0
292.14307	2.5
293.11972	0.8
294.16165	38.2
304.14578	1.4
304.17984	2.5
305.16605	3.9
306.16147	18.0
307.16870	1.0
315.13898	1.0
318.12430	3.7
318.16223	2.9
320.13925	0.9
320.17740	1.3
322.19266	17.3
330.16165	8.9
332.14166	1.1
333.14883	3.6
346.15466	3.8
347.12753	1.7
348.17206	100.0
349.16058	1.3
366.18262	77.1
367.18442	1.2
376.16577	3.1
378.13580	1.3
378.18259	27.8
392.16052	4.8
396.19382	15.1
422.17273	41.6
440.18335	63.1
441.18112	2.6
559.25806	3.0
603.24811	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	602.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
61.98833	100.0
66.51035	0.3
70.99879	0.3
71.01395	0.4
82.59961	0.2
96.96003	2.7
101.02386	0.3
120.12331	0.2
130.63737	0.3
130.64847	0.3
137.99297	0.3
150.03177	0.4
276.55301	0.3
279.05606	0.3
352.13269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98832	100.0
63.61708	0.3
94.52005	0.4
96.95988	1.6
131.07126	0.5
201.82957	0.3
289.23798	0.3
297.25909	0.4
539.21350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53505	0.4
52.08263	0.4
55.21301	0.5
56.54536	0.5
57.15860	0.5
59.01389	2.3
61.98833	100.0
73.63811	0.5
88.74286	0.6
124.07692	1.1
137.02425	0.6
168.06772	0.6
188.98990	0.6
209.08234	0.7
226.12489	0.7
242.10321	0.6
257.12927	1.1
258.13266	0.7
269.13095	5.0
270.13281	2.0
287.13931	3.9
288.14407	2.4
313.12030	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	602.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	18.7
65.05276	1.1
86.03294	1.2
90.39188	1.0
96.93277	1.2
117.03435	12.0
125.02468	1.7
133.02953	3.0
150.03214	1.3
151.00389	1.3
155.05028	5.6
157.02983	2.2
168.22099	1.2
171.04527	1.6
177.01927	43.7
196.05179	1.8
213.05547	1.5
239.03645	1.5
240.04301	8.0
241.05112	2.5
243.03088	1.8
268.03842	5.8
317.08350	2.1
319.06116	2.6
330.16733	1.5
331.06345	1.7
332.07034	2.6
332.29398	1.3
337.64569	1.3
359.05591	8.3
360.06470	26.6
361.07224	88.3
407.53296	1.4
464.85886	1.4
539.09961	100.0
557.17249	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	601.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.9
63.25969	1.6
69.80326	1.6
71.53605	1.6
89.99721	1.8
111.08171	4.3
113.09718	3.1
138.22163	1.8
153.06105	2.2
153.09262	2.5
153.12859	2.2
171.10292	2.9
181.12334	2.8
197.11815	17.8
207.10364	2.4
245.19203	4.0
285.04504	2.2
289.18155	20.8
291.19659	35.4
293.21231	12.3
307.19147	20.7
309.20746	100.0
325.20303	7.7
382.53265	2.3
462.27039	2.0
530.09344	2.6
583.40009	9.0
594.89764	2.2
601.41376	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	601.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47184	0.9
57.09190	1.0
59.01389	1.2
59.30059	1.2
59.31094	1.0
63.79244	1.1
64.69875	1.1
71.25630	1.2
74.38988	1.2
79.16405	1.1
92.10712	1.9
92.65657	1.5
145.20734	1.2
153.12773	1.6
163.11272	1.6
165.12868	2.6
167.10837	1.6
179.14316	1.7
181.12312	5.2
205.85806	1.2
223.86842	1.3
227.44987	1.3
247.20680	7.6
291.19693	56.1
303.39886	1.4
309.20764	100.0
311.22253	2.5
583.40131	7.5
601.41168	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.412
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15617	1.9
92.66263	2.4
108.11802	2.2
155.10738	3.9
161.66110	2.1
163.11264	2.9
165.12854	19.4
178.21895	2.3
193.15825	2.6
205.39114	2.3
232.11713	2.2
239.87585	2.3
246.85176	2.2
247.20662	13.7
273.18735	3.3
291.16528	4.9
291.19669	100.0
309.17123	3.6
309.20731	90.1
327.21918	3.9
459.11441	2.7
583.39502	5.3
584.52026	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.8
68.12253	0.6
77.73820	0.7
78.95887	0.7
84.02658	0.6
85.89787	0.6
111.08162	0.8
115.83491	0.7
119.99032	0.7
125.09769	0.9
127.11300	0.9
133.81500	0.7
135.68202	0.7
151.11259	0.9
153.12854	3.8
155.10728	0.9
165.12900	1.5
167.10797	1.0
167.14297	0.9
179.14445	1.0
181.12393	2.7
197.11867	1.6
207.13922	1.1
211.13460	1.2
247.20673	6.4
263.20102	0.9
273.18564	2.8
281.21164	1.1
291.19684	34.5
291.22955	1.4
309.20740	100.0
310.20868	0.8
379.18985	0.8
583.39941	6.4
601.41302	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	602.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.6
61.98827	4.0
65.00331	2.1
83.01380	1.3
93.03455	18.4
107.01391	3.8
117.03463	48.2
125.02441	32.4
126.95074	0.6
127.05509	1.0
131.93089	0.6
135.04530	3.2
135.47882	0.6
151.00369	8.1
155.05066	1.3
157.06607	4.1
159.04512	22.5
161.02440	9.5
179.05099	4.1
181.06595	42.5
183.04526	10.9
193.06618	0.8
201.05582	0.7
203.03485	5.6
207.04497	11.9
219.04539	0.8
223.04042	12.7
223.07675	3.1
225.05595	100.0
226.06010	0.7
247.03969	2.7
249.05582	26.1
251.03519	92.5
252.03925	0.8
265.05032	3.1
267.06641	32.2
275.03558	16.2
281.24530	0.7
285.76944	0.6
291.03189	0.6
291.06677	0.8
293.04602	49.1
301.08807	2.0
304.39905	0.5
319.02502	13.6
319.09863	0.9
333.07697	2.3
377.06641	2.8
385.66412	0.6
387.08795	66.4
388.08920	0.8
413.06744	73.3
475.24036	0.6
495.10806	0.9
539.09912	99.7
540.10364	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	602.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35211	0.3
59.01355	0.4
61.98831	100.0
65.00321	3.3
67.09538	0.3
68.99812	0.3
83.01387	1.4
107.01415	2.7
117.03467	4.9
119.05019	3.9
120.99354	0.3
125.02435	0.6
125.49586	0.3
133.02969	0.4
136.98834	1.4
151.00380	5.6
153.04903	0.4
155.05009	0.6
157.38924	0.3
159.04498	0.4
161.02464	0.7
163.00357	0.5
164.01134	0.7
165.99092	0.6
167.05029	0.4
174.48123	0.3
177.01880	4.2
183.04597	0.5
185.06058	0.4
195.04488	1.7
196.00227	0.5
196.05336	1.5
199.04022	0.4
200.04791	1.3
211.04047	2.1
212.04781	0.5
214.02646	0.4
223.03979	0.6
224.04739	0.5
227.03433	1.4
227.06992	0.4
239.03540	3.5
240.04294	2.7
241.05104	0.8
243.02989	0.5
253.05095	0.6
255.03056	1.2
267.03073	0.7
268.03815	3.5
269.04565	3.7
283.02457	1.9
284.03271	21.0
285.04041	4.5
351.05154	0.6
359.05618	1.7
360.06372	3.6
361.07245	10.7
385.07135	0.6
387.08783	46.3
411.08774	2.5
413.06967	1.0
429.09790	0.8
453.09900	4.6
455.07767	4.1
471.10956	1.6
492.26099	0.4
495.10989	6.7
539.09900	69.6
540.10400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82576	0.3
61.98837	100.0
68.65141	0.3
71.13708	0.3
92.69098	0.3
105.03468	0.4
119.05017	0.4
133.02930	0.4
175.04059	0.7
179.13361	0.3
354.49170	0.3
435.95084	0.3
463.26599	0.4
537.30817	2.1
548.19403	0.4
575.05884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	0.9
74.42830	0.6
77.34335	0.7
78.95910	3.2
79.95759	1.1
92.66042	0.7
96.96008	100.0
96.96899	5.1
109.03053	0.7
141.01724	0.7
151.76135	0.7
187.35965	0.7
277.42029	0.7
318.61584	0.8
565.03558	0.8
611.81207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25553	0.8
50.33265	0.8
52.33559	0.9
59.01392	6.6
61.98857	1.3
71.01407	1.9
73.02939	1.2
73.25230	1.3
74.60268	1.0
76.87505	1.0
76.98843	1.2
80.02686	1.4
83.05059	5.6
84.02171	2.3
93.03463	1.2
97.84398	1.1
107.06025	1.0
109.02940	1.4
121.02962	2.4
125.31232	1.1
137.97276	1.1
145.79623	1.2
147.04514	1.2
155.41055	1.4
159.04515	1.2
163.04210	1.4
163.11279	5.9
165.12775	2.3
207.31184	1.2
209.11862	100.0
210.12265	1.2
227.11406	1.1
227.12981	19.3
269.08157	2.9
283.09790	1.7
329.14114	1.5
343.11942	5.6
350.80002	1.3
355.12158	1.7
373.12918	2.1
601.27100	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	601.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	28.4
64.89481	20.8
65.91601	21.1
66.88406	20.2
66.98821	21.6
69.24933	22.5
78.95928	33.0
122.60976	23.1
152.99623	100.0
209.11865	91.8
219.05011	25.6
281.17557	31.8
323.54672	26.1
555.33801	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	600.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.00335	1.6
81.04607	0.3
92.85988	0.4
93.03449	4.3
94.72058	0.3
97.82301	0.3
121.02956	4.7
131.01379	1.9
133.02965	0.4
137.02481	0.3
149.01292	0.4
149.02458	9.0
150.03232	3.0
153.01917	2.2
163.04004	0.5
164.04897	2.4
176.01103	3.3
177.01947	6.2
177.05486	0.5
191.01903	0.6
191.03511	9.9
194.02176	0.7
195.02950	0.6
198.15715	0.4
210.01755	0.3
271.22775	1.7
275.92276	0.4
291.12354	0.4
305.13934	0.7
319.15451	0.5
333.17230	0.6
343.19424	0.3
347.18951	1.1
361.20328	1.8
375.21729	0.5
403.25150	0.5
431.24493	1.5
445.26004	5.6
448.24704	0.8
449.25616	2.8
462.91888	0.3
463.26953	3.2
522.28296	4.9
537.30743	47.1
538.31488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53347	0.2
61.98833	100.0
65.00330	1.0
93.03465	3.2
103.01888	0.3
121.02959	4.1
131.01366	1.3
133.02870	0.4
137.02411	0.6
147.00917	0.3
149.02452	9.2
150.03262	3.4
151.03947	0.4
153.01936	1.2
153.19106	0.2
153.68858	0.2
160.05331	0.2
163.03969	0.4
164.04791	1.7
165.01947	0.3
165.05563	0.3
174.06822	0.3
175.00447	0.3
175.99738	0.2
176.01167	4.0
177.01915	6.4
177.05539	1.0
178.02773	0.5
187.07674	0.3
191.03528	11.1
193.01379	0.4
194.02188	1.6
195.02986	0.6
209.04654	0.5
220.10945	0.3
249.07616	1.1
263.09210	1.1
265.07031	0.3
271.22809	2.1
276.17352	0.3
277.10895	0.5
286.63998	0.3
291.12283	0.4
305.13812	0.4
319.15524	0.4
333.17010	0.6
343.19299	0.4
347.18677	0.4
361.20193	1.7
375.21677	1.0
377.26755	0.5
404.25626	0.5
431.24500	1.5
445.26132	6.6
447.24124	0.3
448.24539	1.1
449.25381	2.5
463.26855	2.9
522.28491	5.1
537.30762	43.2
538.31201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
77.76949	2.3
85.02954	2.2
87.85966	2.2
92.10203	3.6
117.03510	16.2
151.00314	3.2
159.04436	8.8
227.70120	2.3
228.58763	2.6
305.04468	3.7
307.06070	17.3
317.86026	2.3
331.06085	40.8
333.04108	8.9
357.04099	2.4
375.05127	93.3
399.05081	13.4
401.03128	2.8
417.06174	24.8
443.04120	4.3
537.08307	100.0
626.73987	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	600.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11112	0.4
61.98833	60.6
65.00343	0.9
71.63997	0.4
75.44819	0.4
92.10691	0.6
101.50155	0.4
105.03465	0.7
107.01409	3.5
108.02186	0.7
117.03461	1.6
119.01375	0.5
121.02954	1.1
135.31465	0.4
136.01659	0.5
147.00876	0.5
149.02449	15.1
151.00378	10.1
155.05011	0.5
164.01157	1.0
192.00664	16.4
193.01430	100.0
211.42796	0.4
267.25165	0.4
361.07239	13.4
457.37656	0.4
537.08368	62.7
538.08868	0.7
540.49603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00195	0.6
51.77920	0.6
53.04759	0.6
59.01388	1.1
59.16922	0.7
61.98833	100.0
71.01391	1.1
77.20522	0.7
114.40157	0.8
130.08759	2.9
140.95395	0.8
143.04631	0.7
172.09891	1.2
212.88963	0.8
320.52756	0.8
375.87949	0.9
425.31332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15430	0.8
56.63910	0.8
59.01355	0.8
61.98834	100.0
78.86819	0.7
96.96006	1.0
130.08720	1.5
143.04669	1.0
172.09824	1.2
175.77173	0.8
182.62766	0.9
268.07083	1.0
299.81107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76109	0.7
52.65869	0.9
54.83199	0.8
58.02978	16.4
64.90747	1.0
66.03502	1.6
70.02985	1.0
74.02468	28.5
81.04572	1.1
82.02993	5.3
84.04564	1.0
85.04055	1.0
86.02470	11.3
86.06133	3.4
86.99123	3.3
87.05637	7.4
88.04033	0.9
95.02526	1.1
97.04074	5.1
99.05637	30.3
100.00390	1.8
100.86505	0.9
101.07219	4.2
102.05607	4.9
107.06165	2.0
109.04099	6.8
109.07720	1.3
111.05644	1.9
112.04031	1.6
115.05853	1.4
123.05648	3.1
124.04043	1.3
125.03561	3.4
127.05115	4.9
128.03534	81.2
135.05632	11.4
137.07243	1.2
141.06714	4.9
143.04634	100.0
144.06136	5.3
145.06154	1.3
146.04593	11.6
147.80855	0.8
153.06657	6.4
155.08318	1.3
166.09854	5.4
167.04547	3.7
167.08275	6.0
169.06154	1.5
170.03304	1.4
171.04089	1.0
179.04611	21.1
181.06203	2.1
184.10818	1.1
185.05775	1.0
192.07788	1.5
197.05760	1.0
210.08836	19.5
211.13417	4.2
223.69711	1.1
224.59782	0.9
228.10022	0.9
254.05362	1.4
254.07857	37.3
271.06314	1.0
272.08893	74.4
293.21384	4.9
325.71698	1.0
327.19952	9.9
342.60452	0.9
453.90042	0.9
459.93054	0.9
471.25208	6.3
520.82977	1.0
574.11328	1.0
582.29059	7.9
600.29694	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.9
61.98848	1.3
78.24680	1.4
80.02709	1.7
81.03491	2.1
90.53900	1.6
95.05022	2.8
97.02957	1.8
97.06614	2.8
106.04217	2.0
109.06616	2.0
111.08217	1.6
121.06557	2.4
123.04507	3.5
123.08147	2.1
125.09725	10.5
127.07657	2.6
135.08167	5.9
137.09732	3.6
139.11293	1.7
141.12869	1.6
153.09232	10.3
161.09767	2.3
163.11324	12.4
165.12878	26.3
171.10245	15.5
185.11850	11.0
191.14359	17.9
197.11853	2.2
207.10303	8.0
209.11835	9.1
217.15907	2.9
225.11377	3.4
245.19141	26.5
247.18417	1.7
247.20663	13.1
271.17084	2.0
273.18646	2.6
289.18134	99.7
289.21365	3.5
290.18732	1.4
291.19684	63.7
307.19199	100.0
308.19394	1.7
325.20276	30.4
563.37628	2.9
599.40442	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	599.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52987	15.2
59.01393	100.0
61.98842	41.4
62.96448	16.5
89.08602	16.4
95.46789	18.5
119.05051	24.1
123.95432	18.6
126.28394	18.3
151.00333	20.5
160.01709	17.0
197.11816	22.1
253.09161	21.7
263.35916	17.4
309.20758	23.6
327.21869	79.2
449.00021	20.9
563.30908	33.8
579.45831	21.5
599.27863	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3599
Annotation	Phorbol 12-tiglate 13-decanoate
Peak:m/z	Relative Intensity
55.21138	0.7
59.89790	0.7
64.34365	0.9
101.28490	1.0
111.76923	0.9
119.04984	1.3
135.04533	1.4
148.05315	4.7
149.06059	1.3
152.99556	1.2
161.05965	1.4
162.06851	13.7
171.28664	0.9
195.61452	0.9
225.22293	10.6
253.21692	0.9
269.08081	1.2
271.22809	91.7
297.11374	19.5
309.11334	7.6
311.65463	1.1
314.32330	1.1
327.11981	1.4
369.00043	0.9
464.57565	1.0
569.35052	5.2
569.46405	1.0
581.34753	2.1
599.35956	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	599.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39588	0.7
55.02676	0.9
55.84423	0.8
57.03457	4.8
59.01391	5.2
61.98842	1.3
64.94395	1.0
67.01907	1.4
67.84734	0.9
69.03454	1.9
69.20596	1.0
71.33743	0.9
77.25224	0.9
79.51773	0.9
80.02675	2.0
80.62127	0.9
81.03455	7.5
83.01379	8.4
83.05040	5.2
95.05045	5.1
97.02960	5.9
97.06573	10.9
109.06589	1.7
110.03721	1.0
119.08629	1.5
121.06595	4.3
123.04527	11.7
123.08160	5.0
125.06071	1.4
125.09724	19.9
132.67352	1.2
135.08176	5.5
137.06062	1.4
137.09702	11.5
141.12849	1.4
142.02780	1.5
149.06087	2.1
149.09711	1.1
151.11353	1.3
163.11284	18.1
165.09221	2.1
165.12848	18.0
167.10757	1.6
171.10327	1.4
176.60342	1.1
177.12720	1.7
179.10739	1.8
181.12349	4.9
185.11852	16.3
191.10822	5.6
191.14413	17.3
207.10220	13.5
209.11855	70.9
211.13484	1.5
217.16003	1.3
225.11319	8.9
245.16638	1.2
245.19144	32.8
247.20720	8.6
263.20193	2.4
263.24078	1.1
271.17059	4.0
273.18594	4.4
289.18134	100.0
291.19693	39.8
307.19196	74.8
319.12769	1.1
370.83502	1.1
372.95746	1.2
397.97372	1.0
398.53128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39553	1.1
53.25378	1.1
57.97584	1.6
58.02977	15.1
59.01386	2.8
61.98835	5.6
65.41130	1.3
74.02472	29.1
82.02981	3.2
86.02492	11.4
87.05650	3.2
96.99934	7.9
97.04079	5.0
99.05635	29.8
101.07214	8.1
102.05634	8.8
103.63483	1.5
107.06124	1.6
109.04073	6.9
109.07730	1.5
110.00681	2.9
111.05608	1.5
112.04035	2.3
123.05675	2.0
124.04015	1.8
125.03566	5.4
127.05107	2.1
128.03537	76.8
135.05681	10.4
137.07185	2.7
141.06705	3.3
143.04631	87.3
145.06186	3.1
146.04596	7.4
153.06706	3.0
155.08308	2.2
166.09866	5.9
167.04649	2.7
167.08266	5.8
170.03394	1.8
179.04628	18.2
181.06163	2.7
185.05586	1.6
192.07851	1.8
194.10120	8.8
206.11948	1.3
210.08870	24.0
221.58760	1.3
221.79068	1.2
222.09624	14.3
239.10188	1.4
240.10684	20.9
254.07805	27.0
264.14200	1.5
271.12540	1.5
272.08896	45.2
290.12167	1.5
308.13330	10.9
326.14423	24.1
470.19937	13.3
554.06812	1.5
581.22980	9.7
599.24060	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	599.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07270	0.7
54.65066	0.7
55.01876	0.9
56.44749	0.6
56.67171	0.7
57.03458	1.1
58.00606	3.7
59.01384	100.0
60.19955	0.7
61.98830	1.8
62.23223	0.7
71.01380	55.0
72.99323	3.6
73.02952	1.4
83.01383	1.7
85.02947	12.6
87.00892	3.7
88.98820	3.9
89.02441	74.4
92.10742	1.6
95.01404	3.4
96.96009	1.0
101.02443	27.7
108.02129	1.2
111.01019	0.9
113.02443	21.4
119.03508	26.7
121.02924	5.8
123.04511	1.0
131.03549	1.9
136.81633	0.7
143.03534	4.4
145.02950	3.4
146.03671	1.0
149.04543	1.6
161.02444	4.7
161.04562	7.2
162.03244	25.6
165.05699	1.0
166.06345	14.5
174.69196	0.9
177.05594	18.0
179.05635	27.9
179.07187	1.9
180.04323	1.3
181.08739	5.1
195.06628	1.6
203.32823	0.8
227.10547	0.8
357.11667	1.0
386.80609	0.9
539.21326	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	598.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18223	0.4
54.10311	0.4
57.41895	0.4
58.02987	17.8
64.80299	0.5
66.03513	2.3
70.03014	0.7
72.00925	1.2
72.97530	4.7
74.00708	0.9
74.02477	27.1
81.04601	3.0
82.02996	5.6
84.04578	1.0
85.04099	0.6
86.02492	11.6
86.06140	2.7
87.05640	7.6
88.04066	1.0
93.04620	0.5
93.18334	0.4
96.04570	0.6
97.04072	5.4
98.02457	0.5
99.05638	30.2
100.00425	2.8
100.04051	0.6
101.07191	5.5
102.05614	5.7
107.06165	1.1
108.04584	0.8
109.04071	7.6
109.07736	2.2
110.02476	0.7
110.06152	0.7
111.05654	3.0
112.04050	5.7
113.03596	0.8
113.04306	0.9
123.05647	2.5
124.04050	2.5
124.07745	0.6
125.03575	4.4
126.01964	0.7
126.04419	0.6
126.05596	0.6
127.02184	0.5
127.05106	3.2
128.03542	79.1
135.05634	9.1
137.07220	2.6
139.08791	1.0
141.06679	5.3
143.04630	100.0
145.06190	3.1
146.04619	11.3
149.07251	1.0
151.05237	0.5
153.06720	5.9
155.08257	0.7
165.12885	1.0
166.09825	4.9
167.04596	4.2
167.08252	7.4
169.06276	0.7
170.03334	1.2
171.04109	1.0
175.01839	0.7
178.88380	0.5
179.04634	20.4
181.06177	3.6
184.10951	1.1
185.05652	2.7
192.07826	2.9
193.06148	0.6
197.05652	2.6
210.08875	17.7
223.13387	1.0
228.09946	0.9
231.74265	0.5
254.07837	36.1
256.11395	2.7
272.08905	75.6
273.18234	0.5
291.19666	3.4
304.06165	0.8
320.27884	0.6
325.18283	3.5
408.01279	0.6
469.23853	2.9
470.38092	0.6
504.07782	0.5
580.27185	5.7
598.28113	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	64.3
88.98787	1.2
92.10719	0.7
93.03468	0.4
95.01376	0.5
102.17126	0.3
121.02930	3.9
122.03706	1.3
130.14021	0.3
134.03561	0.3
134.63823	0.3
141.46539	0.3
149.02448	71.2
150.03235	20.4
164.04800	15.2
165.05557	25.4
166.06305	3.2
167.07144	4.4
172.44229	0.3
173.46954	0.3
175.21097	0.3
180.04265	1.9
181.08728	1.4
195.06633	8.6
212.96390	0.3
214.91425	0.3
271.09549	0.4
283.09799	2.3
285.11279	1.3
314.11642	35.8
329.13983	100.0
330.14258	0.7
377.16110	39.2
378.16403	0.6
404.64474	0.4
450.61578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3051
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
56.23177	0.5
68.20389	0.6
78.95899	74.0
79.35139	0.6
88.01643	0.7
88.33315	0.7
96.96953	15.1
140.86044	0.7
152.99594	98.7
169.68515	0.7
171.00587	1.7
172.42149	0.8
201.02406	0.6
202.07475	0.7
217.44255	0.9
223.00145	10.1
241.01234	25.6
243.02028	0.7
259.02237	0.8
281.24887	100.0
282.25345	0.8
315.04929	9.6
597.30566	92.1
598.30444	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	597.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
61.98841	1.9
64.78829	0.3
71.01387	0.4
75.00871	0.7
81.03451	19.3
82.06628	0.4
83.05026	64.1
85.02976	0.3
94.54427	0.3
96.83074	0.4
96.96011	0.7
100.07677	10.7
102.70290	0.4
111.09291	0.5
116.92870	1.5
119.05030	0.6
126.05628	1.7
127.04012	0.7
151.00386	0.5
156.95050	0.4
182.15526	0.7
199.18187	15.0
203.05264	0.4
224.17839	0.5
225.16110	11.2
243.17154	29.0
269.15189	1.7
271.06186	0.6
278.37189	0.4
302.82666	0.4
303.77136	0.3
309.21860	1.4
353.20911	10.0
384.13272	0.4
451.33069	2.6
469.34003	19.0
512.48639	0.4
553.39288	0.6
554.19165	0.4
579.37817	3.9
597.38782	100.0
598.39069	2.3
602.18262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04997	21.2
58.70864	21.7
59.01392	25.7
60.57438	18.9
63.35417	21.6
65.10299	19.8
125.65373	25.1
132.94040	22.8
134.25049	24.5
144.38733	23.5
176.44910	22.4
253.09360	33.0
307.19104	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	597.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	7.4
59.01392	41.1
59.15593	7.0
61.98819	12.6
63.94838	5.9
69.28233	7.7
79.16818	6.7
84.98648	6.2
92.10747	10.9
93.03527	6.9
116.92851	32.9
119.24170	6.6
134.03717	6.8
136.35832	7.0
146.03667	9.4
147.04535	11.8
150.03265	10.9
157.05702	7.0
159.04446	14.1
160.05353	35.3
161.06076	12.1
163.03990	9.6
164.04779	13.9
170.09865	6.8
175.04002	6.8
175.07646	29.6
177.05505	9.9
178.06290	8.7
192.20044	7.0
209.11983	8.4
238.06375	9.6
247.01013	6.8
254.05576	8.2
255.06682	9.7
264.07712	7.6
266.05789	12.8
267.06638	34.9
269.08203	36.7
281.08221	33.4
282.08975	10.5
290.62823	6.7
296.73111	6.8
304.33878	7.6
307.19040	36.0
316.09586	12.4
325.20328	9.5
328.09225	8.5
378.58752	7.2
406.99149	8.2
431.81595	7.9
447.17905	10.8
477.19257	100.0
489.19226	93.2
507.20178	44.7
519.20178	16.0
543.28333	15.7
597.26654	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	597.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43686	0.5
50.64979	0.5
59.01376	5.0
70.50047	0.5
89.02468	0.5
94.83784	0.5
95.97885	0.5
96.96020	2.2
97.02888	0.5
99.73038	0.6
102.05625	1.2
109.02953	23.5
121.02943	2.6
122.03738	0.8
123.04511	0.9
124.01668	0.9
128.03523	1.0
136.01662	11.2
137.02496	1.0
145.02950	1.4
146.03680	2.5
146.04736	0.7
147.04530	0.9
150.03288	1.0
151.04007	13.0
158.03729	0.8
159.04555	1.5
160.05255	2.3
161.06081	1.4
165.05621	0.6
171.04509	0.9
172.05272	2.4
173.06113	0.7
175.04018	6.0
176.04799	4.5
189.05580	6.1
190.06337	4.2
191.07179	6.7
195.03046	2.8
205.08788	0.6
215.10805	0.6
239.07230	4.5
249.05469	0.8
250.06462	0.8
251.07011	1.3
261.05362	0.8
262.06271	0.7
266.05966	0.6
267.06662	58.4
279.06631	8.2
282.08994	52.1
294.08972	4.0
297.08350	3.7
297.11337	100.0
298.11539	1.1
309.11258	0.7
312.10120	10.4
312.13492	1.0
315.12436	0.9
327.12424	48.9
345.13483	30.8
357.13550	5.7
375.14520	73.9
388.06332	0.7
616.06836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83179	0.5
59.01381	5.1
61.98832	100.0
69.83540	0.5
71.01382	1.0
78.03590	0.5
83.01395	0.6
89.02434	1.0
92.38966	0.6
96.96011	0.7
101.02387	0.7
102.17829	0.6
123.64208	0.6
180.78607	0.6
213.43605	0.7
264.18097	0.6
298.64053	0.6
311.03839	0.6
323.43530	0.6
342.85989	0.7
350.70761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70930	0.6
57.03457	0.8
59.01142	0.6
59.01407	3.7
59.37117	0.7
61.98837	15.1
69.03471	0.7
71.01063	0.7
71.01415	3.8
72.99325	1.7
73.02976	3.4
73.53397	0.6
75.00876	100.0
81.03479	5.1
83.01385	4.9
85.03004	1.3
89.02454	1.0
93.03481	4.6
95.05039	2.8
97.02979	3.1
99.04501	1.5
99.93359	0.8
101.02477	1.0
107.05062	0.9
109.02980	2.8
111.04565	1.0
113.02431	1.2
119.05015	7.8
121.02985	3.6
121.06580	0.8
122.03752	0.7
123.04523	10.8
124.84767	0.8
125.02457	8.4
135.04536	2.8
137.02458	4.2
137.06068	6.4
139.04039	8.0
147.04546	3.2
149.02350	1.2
149.06088	1.3
150.47687	0.7
151.00397	1.2
151.04005	1.7
155.03453	0.8
161.06114	1.0
163.03995	0.8
164.04739	1.1
165.01971	1.2
165.05556	5.0
167.03493	18.7
175.07707	0.8
177.05557	0.8
179.03592	5.1
180.04398	0.9
181.05096	1.7
188.03482	0.7
189.05568	4.8
191.07043	1.1
193.05064	3.9
197.04587	4.4
205.05054	1.1
209.04587	16.4
221.04611	4.3
239.05666	6.6
251.05632	1.5
263.05692	0.9
269.06772	0.8
271.06143	1.5
273.07379	1.4
315.08783	9.0
327.08704	5.4
345.09900	3.4
345.13702	1.1
357.09854	44.1
369.09656	0.9
387.10883	29.9
417.11945	8.4
459.13165	3.7
477.14194	9.3
489.14136	1.7
597.17749	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	597.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83127	1.2
59.01379	11.6
61.98846	7.2
71.01420	1.9
71.47828	1.2
84.65744	1.2
93.03496	1.8
106.53723	1.2
116.92913	2.1
119.05021	5.6
121.02934	16.7
125.02531	1.3
134.03751	2.1
135.04527	20.9
136.01642	2.0
145.02954	5.5
146.10408	1.2
147.04541	2.7
149.06181	2.1
160.01688	7.0
166.06384	2.4
175.03998	13.3
179.07155	5.7
180.07939	84.7
182.09155	1.5
193.05069	1.4
194.05772	1.7
195.10275	18.2
203.37212	1.4
208.07394	20.5
223.09785	97.6
237.05618	5.5
240.04300	1.9
241.04977	1.5
245.06477	1.6
248.04938	1.6
249.05707	2.3
251.03516	7.9
252.04335	1.8
253.05130	4.9
261.05536	2.9
265.05011	11.9
266.05908	2.6
268.07355	1.7
269.08145	2.1
271.06253	3.3
272.06448	1.4
277.05078	5.4
280.07474	2.6
281.08307	1.4
282.08994	2.7
283.09738	5.3
289.04987	2.9
297.11679	1.6
313.10916	2.0
325.10870	7.4
385.87286	1.4
388.13403	3.2
399.12347	6.8
414.11060	1.9
415.11877	1.9
416.12927	9.4
417.13568	7.5
426.11026	2.2
427.11893	5.5
428.12747	4.7
429.13419	5.8
431.15152	8.8
432.12048	5.3
439.11752	2.0
441.13641	8.0
442.14215	1.8
443.14990	8.5
444.11871	10.6
447.14563	14.4
455.15039	1.7
456.11926	2.7
457.16586	2.2
458.17578	2.1
459.14529	58.4
462.16928	42.3
462.22174	1.6
471.14551	24.1
474.16885	51.5
477.19290	65.2
486.16922	10.6
489.19272	100.0
490.19672	1.8
501.19302	29.9
507.20297	57.3
519.20239	78.5
561.23254	14.1
618.32306	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	595.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
64.73881	13.3
66.39675	16.2
72.86166	13.8
85.79560	16.9
183.40289	15.8
256.50400	17.8
322.47815	19.0
378.41370	18.9
617.19067	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	595.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57581	0.2
57.03463	0.4
58.99677	0.2
69.03482	0.2
72.99326	0.4
73.84075	0.2
78.95898	0.3
83.05045	0.4
84.02151	0.2
95.99135	0.2
97.06592	0.2
113.09721	0.3
125.09737	1.0
127.12605	0.2
135.11824	0.3
137.09717	0.2
139.11292	3.3
153.12842	2.2
166.90802	0.2
189.16573	0.3
191.18069	4.2
199.82466	0.2
216.00824	0.2
224.14207	1.2
229.19632	0.3
245.19144	0.3
247.20657	3.4
248.08838	0.2
275.20056	0.3
293.21274	100.0
294.21576	1.1
553.31445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23384	0.1
50.61555	0.1
51.09128	0.1
54.82662	0.1
59.01382	2.8
60.01707	0.2
61.98833	100.0
71.01379	0.9
85.03049	0.2
89.02453	0.9
92.10760	0.2
101.02460	0.2
102.20126	0.2
119.05004	0.4
120.05345	0.2
121.02907	0.8
147.15602	0.2
151.00385	0.4
152.00639	0.2
162.45726	0.2
168.21631	0.2
180.06169	0.2
209.04579	0.4
271.06174	0.2
272.06580	0.3
320.90231	0.2
372.93765	0.2
544.73230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34014	0.3
59.01382	7.0
61.98826	0.4
71.01386	3.4
73.02937	0.7
74.70433	0.4
80.69934	0.3
82.31622	0.3
83.01403	1.4
85.02953	1.6
85.82461	0.3
87.00887	0.4
89.02429	0.7
92.10174	0.9
93.03481	0.8
95.01361	0.5
96.96015	1.5
101.02444	2.1
106.47470	0.4
107.01415	1.3
110.43150	0.4
113.02453	1.9
119.05006	4.9
120.02138	2.0
121.02950	100.0
122.03283	0.6
125.02420	0.5
136.01657	0.8
151.00356	4.9
163.04012	0.4
165.01913	2.0
175.02531	0.4
177.01953	0.7
193.01442	1.3
209.04573	58.3
217.01485	0.4
271.06177	8.9
299.08319	0.5
313.07239	1.9
336.19614	0.4
355.07922	0.8
385.09250	1.6
415.10443	0.5
433.11713	4.1
475.12311	0.8
520.37799	0.4
535.27826	6.0
595.16248	5.4
601.22028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2899
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01391	0.7
67.05442	0.4
78.95906	73.2
84.17783	0.4
92.51422	0.5
96.96963	15.2
109.73791	0.4
146.54016	0.4
152.99594	100.0
165.42894	0.4
171.00662	1.9
223.00130	9.8
240.98727	0.8
241.01195	22.9
259.02213	1.8
261.21863	0.6
270.13010	0.4
279.23300	86.7
280.23587	0.9
315.04913	10.9
595.28973	85.6
596.29126	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	595.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32829	0.5
53.53400	0.5
54.00973	0.7
54.30416	0.5
60.14874	0.5
76.32642	0.6
77.31163	0.6
78.95895	74.5
85.35928	0.6
96.96939	15.9
104.54255	0.6
133.11330	0.7
150.97990	1.2
152.99583	100.0
171.00638	1.6
177.97356	0.7
181.12170	0.8
223.00125	12.8
241.01202	26.2
259.02136	1.4
263.52234	0.8
279.23297	93.7
280.23605	1.1
310.61649	0.7
311.22092	0.6
315.04877	11.9
326.56744	0.7
333.05966	1.3
410.78815	0.8
512.92572	0.8
595.28961	87.5
596.29095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1679
Annotation	5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside
Peak:m/z	Relative Intensity
57.03481	0.2
59.01390	1.3
61.98837	1.0
63.02407	3.0
65.00333	8.1
65.98913	0.2
71.01397	0.5
72.14051	0.2
83.01389	6.1
85.02943	0.3
87.67484	0.2
89.02452	0.2
93.03457	7.7
95.01380	0.2
96.96018	2.0
101.02428	0.4
102.95605	0.2
103.54854	0.3
107.01394	15.9
107.35615	0.2
108.02195	0.3
110.29358	0.2
113.02444	0.2
119.05022	42.9
120.05342	0.3
121.02946	0.5
124.67476	0.2
125.02425	1.2
128.45808	0.2
131.01411	0.3
137.02481	0.4
143.05009	1.1
143.07191	0.3
145.02954	1.2
151.00374	54.6
161.04773	0.2
161.06082	1.3
164.01160	0.4
165.01903	3.0
169.01472	1.8
175.00371	2.6
176.15434	0.2
177.01936	6.1
181.09615	0.2
185.06023	1.5
187.04001	1.6
193.01434	1.0
227.07106	2.3
229.05083	0.5
253.05075	0.2
253.09285	0.4
263.48788	0.2
271.06131	100.0
272.06436	1.2
285.07602	0.3
295.06116	1.9
299.18680	1.0
313.07208	2.1
343.52780	0.2
515.20837	0.2
535.27466	0.3
595.16968	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	595.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74434	0.7
54.82409	1.1
59.01382	100.0
61.98840	5.1
65.79474	0.9
70.25394	0.9
71.01363	2.0
85.02981	1.3
89.02457	1.5
96.96007	6.4
101.01772	1.0
101.02426	3.5
111.18260	1.0
119.03414	1.2
119.05022	4.0
121.02957	13.1
135.04526	5.0
137.02458	1.2
141.88196	0.9
150.03276	1.1
151.00340	1.1
161.04530	1.1
164.88495	1.0
175.00365	1.7
193.01436	3.4
209.04468	7.1
225.42090	1.0
239.07085	1.6
247.08093	1.1
255.06607	5.0
265.05005	1.4
267.06595	15.2
271.08786	1.0
279.06738	8.2
280.07361	2.2
282.08905	3.6
283.06158	20.2
293.08170	1.5
294.09006	6.5
295.06165	40.1
295.09485	2.4
298.08524	19.1
309.07800	5.0
310.08511	21.5
313.07077	6.1
313.10849	19.2
324.06625	1.0
324.10059	7.1
325.07144	9.9
325.10831	28.8
328.09464	1.6
330.14325	1.6
339.08820	1.5
340.09564	12.7
343.08224	1.1
343.11829	30.2
355.11917	83.4
357.84918	1.2
359.07669	1.0
373.12650	1.2
543.17542	1.0
595.16040	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	595.1679
Annotation	Pinobanksin 5-galactosyl-(1->4)-glucoside
Peak:m/z	Relative Intensity
52.05578	0.3
54.96479	0.3
57.03448	0.4
59.01390	2.7
61.98848	1.4
63.02415	3.3
65.00328	7.2
70.90692	0.3
71.01398	1.6
71.36588	0.3
72.99300	2.5
73.02962	0.7
73.38448	0.3
75.00871	5.3
78.40319	0.3
83.01397	5.7
89.02457	0.9
93.03455	8.3
97.02935	0.4
101.02431	0.7
104.17169	0.3
107.01399	16.2
108.99373	0.4
113.02470	0.7
117.03458	0.5
119.05036	40.7
120.05379	0.5
121.02958	0.6
125.02464	2.0
131.01431	0.9
137.02477	0.7
143.05045	0.9
145.02960	1.5
151.00388	55.1
152.00839	0.4
161.06078	0.9
165.01947	4.1
169.01456	3.1
175.00356	2.6
177.01970	6.0
185.06088	1.8
187.04015	2.5
189.02008	0.5
193.01422	1.6
206.75436	0.4
227.07118	2.8
229.05037	0.5
243.20726	0.3
271.06158	100.0
272.06531	1.5
295.06073	1.7
313.07245	1.7
343.08411	0.9
385.08951	0.4
427.60611	0.4
429.33289	0.4
505.13834	0.6
595.16705	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	595.1691
Annotation	Pinobanksin 5-galactosyl-(1->4)-glucoside
Peak:m/z	Relative Intensity
50.65659	0.3
51.17710	0.3
51.90316	0.3
52.69833	0.3
59.01389	9.4
61.98846	1.6
63.02408	2.3
65.00328	4.9
71.01376	2.8
72.65362	0.4
72.99321	0.4
74.62476	0.3
83.01403	4.9
85.02973	0.6
89.02449	3.8
92.10809	0.8
93.03457	8.1
96.96001	1.7
101.02455	0.9
102.01659	0.4
107.01395	18.2
108.02189	1.7
108.94999	0.4
113.02473	0.9
117.03461	0.4
119.05025	37.4
121.02959	17.4
121.03861	0.6
122.03675	0.5
125.02431	2.0
135.04515	2.1
136.01691	3.3
138.33099	0.4
143.03505	0.4
145.02953	0.6
149.99669	0.4
151.00378	56.8
161.04497	0.6
161.05901	0.4
163.04008	0.4
164.01170	5.1
165.01923	3.5
165.05569	1.0
169.01421	2.1
177.01930	8.6
179.05643	0.5
185.06041	0.4
193.01370	0.9
196.00156	0.9
209.04552	9.2
227.07266	0.5
271.06137	100.0
272.06363	1.9
313.07050	0.5
315.44077	0.4
343.08502	0.5
361.16568	3.2
388.30765	0.4
433.11417	48.2
434.11349	0.4
522.73627	0.4
535.27301	0.6
595.15405	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	594.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55713	0.9
51.86812	0.8
53.40347	1.0
56.82242	0.9
57.03454	49.9
58.42949	0.8
59.01385	53.7
61.98833	100.0
62.88808	0.8
64.38717	0.9
65.44871	1.0
71.01380	14.2
73.02962	4.5
75.89200	0.9
77.37963	0.9
83.01403	1.1
85.02937	3.7
87.00913	1.0
87.14259	0.9
89.02426	9.6
96.96012	1.6
99.04519	42.6
101.02444	16.5
113.02472	4.7
119.03506	4.4
123.08176	4.8
125.02454	21.8
143.03505	1.9
147.29321	0.9
153.09232	2.1
161.04552	4.4
163.11302	5.1
172.95941	1.0
179.05728	1.4
181.05612	1.0
189.12863	4.5
197.50848	0.9
207.13959	6.7
225.14984	1.9
290.07379	1.1
300.74026	1.1
357.34683	1.0
358.74200	1.1
369.19269	1.3
387.20288	5.6
429.21301	8.0
469.24469	1.0
487.25568	2.1
531.24518	39.0
534.26935	1.4
593.14972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1678
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
63.75950	2.0
67.84780	1.6
74.92672	2.1
83.01385	4.8
84.51517	1.8
91.49249	1.8
93.03465	10.4
95.01357	2.1
97.02934	7.8
104.98682	1.8
107.01401	9.2
107.05029	2.4
109.02975	2.3
117.87045	2.1
119.05022	73.6
121.02930	7.9
123.04559	7.9
125.02441	14.6
135.04504	4.7
137.02440	11.1
139.04005	11.1
139.73068	1.9
143.05048	8.5
145.02972	11.3
147.04515	7.2
149.02443	10.7
150.03276	2.5
151.00368	3.8
159.04593	2.9
161.06073	4.4
163.00378	3.3
163.04057	2.9
165.01913	8.3
165.05478	2.0
167.03482	15.9
175.04018	3.2
177.01947	9.4
179.03499	8.1
187.03986	12.4
191.03558	2.9
191.16660	2.1
193.01396	13.2
197.04533	2.6
199.07677	7.8
205.01450	11.9
206.41833	2.3
207.03017	10.0
209.04576	4.3
219.03014	7.9
223.02457	2.3
227.07166	4.0
235.02501	23.5
247.02606	2.3
248.59196	2.1
261.04218	2.3
265.03549	7.9
271.06223	4.0
283.06229	3.1
302.35101	2.1
307.38831	2.0
313.07333	31.9
325.07141	12.8
343.08185	7.5
355.08307	100.0
367.08643	7.2
385.09341	87.3
415.10596	24.0
432.29602	2.5
457.11520	9.7
475.12500	32.2
487.12939	3.4
505.13593	11.2
560.99890	2.5
577.15436	3.4
595.16785	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03447	0.8
58.00600	2.0
59.01382	100.0
61.98820	0.4
69.03426	0.1
69.04246	0.1
71.01376	37.8
72.67979	0.1
72.99303	3.0
73.02927	1.1
79.05727	0.1
83.01373	1.3
85.02945	7.1
87.00867	1.6
88.98789	0.8
89.02438	50.6
93.03466	0.3
95.01382	3.1
96.96004	2.7
99.00910	0.2
101.02436	17.2
101.24793	0.2
113.02447	13.3
117.03428	0.8
119.03493	18.3
121.02928	0.4
125.02432	0.4
131.03511	2.2
131.35533	0.2
135.04489	0.3
137.02431	0.3
138.05547	0.2
143.03491	4.0
149.04559	1.5
159.04549	0.2
161.02370	0.6
161.04565	5.0
163.03944	0.3
179.05615	21.9
189.10118	0.2
191.03459	0.2
269.04425	0.3
274.68436	0.2
281.04437	0.3
282.05246	0.3
283.06134	2.4
295.06033	0.8
297.03885	1.0
297.07541	2.2
298.04712	0.3
309.07376	0.2
311.05652	3.1
323.05731	0.3
325.07187	0.8
328.05777	0.3
337.06995	0.6
341.06277	0.2
353.06631	3.5
365.06561	0.3
383.07861	2.5
395.07391	0.3
413.08459	0.2
431.09940	0.5
473.10736	1.0
503.11783	0.8
533.25916	0.9
551.33325	0.2
593.15259	6.3
594.15399	0.3
621.64624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
64.64012	0.9
71.01376	35.1
72.99302	1.4
73.02960	1.1
74.20289	0.8
78.71429	0.8
79.01902	1.1
85.02927	6.5
87.00887	1.2
88.98807	6.8
89.02435	51.8
90.59864	0.9
92.10271	0.9
95.01405	4.4
101.02428	15.6
109.00571	1.0
113.02458	12.1
117.03450	5.5
119.03503	21.2
121.02990	1.5
135.04538	1.6
139.01138	1.0
143.03471	3.6
149.04568	1.6
159.04517	1.0
161.02374	1.9
161.04579	7.1
163.03868	0.9
173.37204	0.9
175.03996	1.0
179.05617	25.6
182.12386	0.9
268.07410	1.5
279.59689	1.1
282.05307	1.8
283.06110	9.9
295.06036	3.7
296.06961	1.5
297.04422	2.0
297.07657	16.8
298.08133	1.1
307.05972	1.2
309.07739	1.6
311.05594	12.8
323.05466	3.5
325.07214	6.6
328.05893	2.1
337.07193	2.1
353.06683	31.7
354.06741	1.7
356.05698	1.0
365.06824	5.2
383.07770	19.4
383.66754	1.0
395.07809	1.8
413.08865	1.5
431.09753	5.6
473.10959	6.5
503.12216	3.7
593.15198	45.8
594.15613	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	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54720	0.5
58.28190	0.5
59.01390	0.7
61.98838	0.6
77.85139	0.6
78.95903	74.8
96.96961	16.2
111.55019	0.6
123.44975	0.6
150.98062	1.3
152.99596	100.0
160.35399	0.7
171.00635	3.0
223.00203	11.9
226.50385	0.6
238.07478	0.6
241.01227	24.9
259.02203	1.0
268.46634	0.6
277.21753	62.0
315.04916	11.5
333.06100	1.0
402.68988	0.6
554.22925	0.7
593.27423	78.5
594.27490	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
58.00599	2.5
59.01382	100.0
61.98830	11.1
66.51376	0.6
71.01378	42.7
72.99316	3.0
73.02939	1.3
83.01395	1.3
85.02942	8.4
87.00889	0.9
89.02439	50.6
94.44214	0.5
95.01392	3.1
96.19199	0.5
98.69112	0.6
99.04516	0.8
101.02438	20.2
113.02451	17.7
119.03495	22.6
131.03511	2.5
143.03491	3.4
149.04543	1.4
161.04556	4.8
165.09201	0.9
179.05612	22.8
209.08186	3.6
269.04617	4.8
280.03894	0.9
298.04865	1.0
308.03317	4.1
314.69208	0.6
323.05582	1.3
371.13263	0.8
443.09506	1.2
533.26099	15.7
593.15057	1.2
606.02759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26090	0.6
54.82471	0.8
55.01885	1.4
57.03456	2.8
58.00607	4.2
59.01383	100.0
61.98848	2.8
65.33444	0.8
71.01379	51.6
72.99293	2.6
73.02949	3.8
78.75426	0.8
79.69702	1.0
83.01392	4.3
83.05048	3.6
85.02946	11.8
87.00871	1.6
89.02440	59.6
95.01385	4.5
96.96005	0.8
97.06597	1.4
99.00907	0.9
101.02439	27.6
113.02440	19.8
113.03150	1.2
115.00296	0.9
119.03504	20.4
125.02391	0.8
127.07652	1.9
131.03535	0.8
135.08162	1.6
137.09703	1.2
138.93764	0.8
139.07654	1.2
143.03488	3.7
143.07166	5.4
153.09206	3.2
157.08647	3.4
161.04564	6.4
169.08719	2.9
179.05595	13.6
181.08705	9.2
181.12358	1.4
210.08945	1.4
211.69426	0.8
217.15994	3.4
235.17267	0.9
253.09337	9.6
261.14923	3.4
279.16040	19.9
297.17181	9.3
371.20578	1.2
446.17871	1.0
498.31992	0.9
515.25024	8.2
533.26117	54.2
534.26648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10271	1.0
59.01384	1.1
60.69666	1.0
61.98840	1.6
72.82868	0.9
78.95900	86.4
84.64480	0.9
87.77634	1.0
96.96035	2.1
96.96953	13.5
152.99596	100.0
171.00595	2.2
213.54834	1.1
223.00168	11.6
241.01196	26.9
277.18762	2.2
277.21756	62.3
310.86691	1.1
315.04947	12.7
434.37610	1.0
435.79794	1.1
593.27350	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.5
67.01894	1.2
71.01393	4.3
85.02961	1.7
93.03458	8.8
108.37490	0.8
111.04524	1.5
112.65794	1.0
113.02398	1.0
117.42918	0.9
121.02924	1.6
121.07053	0.9
121.22028	1.0
121.87416	0.9
122.03730	15.9
128.80934	0.9
136.01663	2.0
137.02448	2.1
161.04483	1.8
173.04553	44.8
182.05858	60.5
191.05653	10.8
197.08205	100.0
214.24738	1.0
227.73730	0.9
245.44656	1.0
273.45816	1.0
275.12018	1.0
359.13522	4.8
461.14432	1.1
597.36078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90835	0.5
59.01395	2.7
61.98826	0.7
65.88289	0.5
66.84968	0.5
68.71988	0.5
71.01427	0.6
73.57453	0.6
75.97101	0.5
86.08675	0.5
86.21060	0.5
93.03450	1.0
101.02473	0.7
107.05051	2.3
107.74151	0.6
119.05009	4.1
121.02946	2.2
123.04503	0.8
135.04524	26.3
147.04462	1.0
149.06096	3.6
151.03964	0.8
159.38734	0.7
161.02449	0.8
161.06073	3.6
162.03130	0.6
163.04012	0.7
166.06339	2.1
168.31822	0.5
175.03996	4.8
178.56082	0.6
180.07913	32.4
181.06821	0.5
181.08531	1.2
188.04778	0.9
189.05602	2.5
190.06302	0.8
192.07939	3.6
193.08694	4.5
209.08154	1.0
218.05861	3.8
247.09764	5.4
253.08719	0.9
267.10233	2.6
271.06238	1.0
284.10446	0.6
285.11285	1.1
297.11395	1.3
299.12878	1.1
315.12433	52.3
327.12415	22.5
343.11813	0.7
345.13470	100.0
346.13962	2.2
565.10022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01386	33.6
61.98828	2.4
62.93926	1.0
71.01382	14.3
73.02947	1.2
77.75430	1.1
85.02946	4.7
89.02453	7.6
92.10848	2.4
99.04517	1.3
101.02454	6.2
103.18390	1.3
113.02453	6.2
117.03462	11.4
119.05028	85.8
125.02454	1.3
133.02933	2.7
135.04597	1.3
161.02426	12.5
163.00316	1.8
163.04031	48.7
175.03999	2.0
177.01897	2.9
185.02283	1.4
188.01004	1.2
251.03415	1.3
267.06451	2.7
268.03714	1.3
269.04523	9.9
279.06671	6.2
281.04572	30.6
282.05252	4.9
283.06079	8.2
293.04581	2.5
295.06152	35.3
307.06293	1.6
308.03424	15.6
309.04230	9.6
309.07413	2.4
311.05713	8.0
314.04391	2.6
321.07764	2.7
323.05673	71.4
325.07166	8.5
341.06616	1.9
353.06717	7.6
365.06766	2.3
371.17303	5.3
377.06711	2.9
383.08517	1.6
413.08691	5.7
503.12082	27.2
593.15222	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	593.1519
Annotation	Apigenin 7-allosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.88081	0.5
54.71449	0.6
57.03460	0.8
59.01381	25.1
59.01651	1.1
61.98833	1.7
63.02379	0.8
66.60683	0.7
69.59093	0.6
71.01377	11.6
72.99304	0.7
77.03980	4.4
83.01393	0.8
85.02960	4.3
87.00867	0.8
89.02448	12.0
93.03467	4.1
96.96015	3.5
101.02435	6.7
107.01379	1.0
113.02464	5.3
117.03457	15.4
119.03497	3.5
119.04996	4.6
121.02952	3.7
125.02510	1.4
128.03546	1.8
135.04530	3.8
137.02461	0.8
143.04639	2.8
145.02969	1.0
147.04538	1.1
149.02463	1.8
150.03163	0.9
150.05635	0.9
151.00418	1.1
159.04497	6.1
161.02438	7.0
161.04608	1.0
162.05582	0.7
163.04007	4.8
175.04001	0.9
179.05661	3.8
181.06656	0.8
183.04428	0.9
191.03560	1.7
195.70178	0.7
197.06046	1.2
211.07732	1.2
214.08650	0.9
227.10713	1.2
239.07204	1.6
245.92699	0.7
257.09262	3.0
268.03830	5.0
269.04572	25.7
281.04608	3.6
283.06125	64.0
293.04572	1.5
295.05984	1.2
304.72940	0.8
306.07651	3.4
311.05664	100.0
323.05679	4.1
325.00064	0.9
341.06686	13.4
371.17065	4.3
425.18158	1.4
533.26019	1.5
534.40387	0.8
593.15228	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	593.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.8
59.05066	0.6
71.01390	4.6
73.02968	1.7
79.01896	1.6
83.01421	1.2
88.98821	5.3
89.02457	4.7
93.03463	4.3
95.01371	1.1
96.96027	1.4
101.02435	1.8
117.03467	15.6
119.04995	3.2
121.02959	1.6
123.04504	1.3
130.49052	0.7
131.05011	1.0
133.02985	7.7
135.04514	7.1
145.06613	0.7
147.04518	1.0
149.02463	3.2
159.04492	1.4
161.02434	7.2
163.03990	4.9
165.01871	1.0
173.02354	0.9
175.00418	0.9
175.04018	5.6
177.01933	1.9
177.05551	3.7
179.03500	1.3
179.05652	1.0
189.01961	1.5
189.05661	0.9
191.03514	1.8
194.86980	0.8
203.03514	4.3
204.77951	0.8
205.05170	1.5
211.07707	1.1
221.04608	1.4
239.07164	1.0
243.21620	0.9
245.04597	1.1
248.05168	0.8
251.07263	1.1
265.04944	1.2
267.02802	1.5
267.06604	1.2
268.07379	1.5
269.04706	0.8
279.06732	1.0
281.04623	3.0
282.05325	4.8
283.06113	21.2
284.03333	1.2
285.04047	1.7
295.06155	11.5
296.06940	6.4
297.04077	9.0
297.07700	40.9
298.04895	3.5
299.05573	4.0
307.06100	3.3
309.04050	17.4
309.07755	4.8
311.05658	24.5
323.05588	8.0
325.07150	16.5
327.05142	19.7
328.06030	6.8
335.05667	4.0
337.07248	4.7
341.06549	4.1
353.06708	75.0
355.08423	1.2
356.05389	1.4
357.06116	7.3
365.06720	9.3
383.07794	40.3
384.08206	0.9
395.07834	3.6
413.08847	4.1
425.08835	1.4
429.08353	3.8
431.09732	10.5
455.09891	1.8
473.10950	25.1
503.11923	6.8
593.15228	100.0
594.15765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49597	0.5
52.89002	0.5
59.01384	0.8
61.41710	0.5
62.01838	0.6
62.25391	0.6
77.03983	4.1
79.01909	2.5
82.25282	0.7
93.03489	2.9
105.03445	0.8
117.03452	17.9
119.05044	2.5
121.02968	4.5
135.04515	4.0
145.02975	1.3
147.29195	0.6
149.02460	3.8
156.61383	0.6
159.04503	3.7
161.02422	9.0
163.04019	6.3
173.02411	0.7
183.04562	0.8
191.03506	1.3
194.07263	0.8
203.03558	1.3
211.07796	0.9
215.07161	0.9
224.04701	0.7
225.05554	0.7
239.07138	1.3
245.57414	0.6
268.03784	3.9
269.04617	4.3
281.04651	5.5
282.05298	1.5
283.06140	66.3
293.04654	3.0
295.06055	1.5
311.05652	100.0
312.05923	1.4
314.04492	1.1
323.05600	5.1
341.06717	16.2
353.06686	1.2
465.13156	0.8
524.89990	0.7
593.15247	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22266	1.5
57.03456	81.1
59.01104	3.6
59.01389	66.4
61.98837	100.0
63.11488	1.3
71.01382	29.7
73.02942	16.2
81.03463	2.6
83.01403	3.3
85.02973	4.4
89.02438	12.8
99.04531	61.9
101.02444	31.4
109.41075	1.8
109.43445	1.6
113.02463	10.8
113.06118	1.8
123.04516	1.7
125.01643	2.4
125.02457	33.6
136.05315	2.0
138.06847	12.4
139.07671	3.0
140.79979	1.8
143.03500	2.6
143.70071	1.9
151.07643	12.2
152.08458	19.3
153.09232	57.8
161.04561	4.3
161.68668	2.0
163.11310	2.5
187.93018	1.9
205.12378	31.7
223.13472	15.4
253.31761	1.9
287.83353	1.8
353.10309	3.3
367.17755	11.4
385.18863	15.4
427.19666	17.4
467.23016	3.5
485.24039	7.5
529.22961	87.7
530.23322	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	593.131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.1
63.22875	0.1
68.36162	0.1
75.90581	0.1
77.03954	0.1
91.01908	0.2
107.43436	0.1
109.95816	0.1
120.02172	1.1
121.02950	100.0
122.03271	0.3
136.01653	0.6
145.23917	0.1
165.01936	3.1
180.05798	0.8
181.05045	0.2
181.06590	3.6
197.06107	2.2
207.04649	1.0
207.08113	0.3
209.04572	30.8
210.04881	0.2
223.04056	0.2
225.05571	2.1
251.06921	0.2
257.09668	0.7
301.08661	0.3
313.07214	1.7
357.06296	0.8
383.07770	0.8
401.08499	0.2
417.09930	1.0
505.11493	2.2
549.10394	4.5
550.10681	0.2
593.13098	7.7
594.13428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
58.64499	0.3
59.01378	0.4
71.01393	1.8
73.02957	0.4
79.01913	1.7
83.01417	0.6
91.05550	1.3
93.03456	4.5
95.01397	0.5
107.01400	0.7
117.03457	15.2
119.05015	2.4
121.03036	0.5
131.05017	1.3
133.02896	0.3
133.06607	1.5
134.77292	0.3
135.04507	7.2
137.02406	0.5
145.02965	0.6
147.04466	2.2
149.02444	2.1
149.06044	1.2
150.03136	0.3
151.03981	0.4
159.04485	2.2
161.02431	8.0
161.06062	1.2
162.03136	0.7
163.04024	3.9
171.04575	0.6
173.02426	0.5
173.06026	1.6
175.04002	4.1
177.01939	1.7
177.05571	4.3
179.03497	1.3
182.03674	0.3
185.02448	0.6
187.04039	1.3
189.01894	2.2
189.05577	1.8
191.03506	3.6
194.07442	0.4
197.06134	0.7
199.03984	0.6
201.01855	0.3
203.03539	3.3
205.01418	0.4
205.05048	1.7
209.06065	0.4
210.06750	0.3
210.89937	0.4
211.07687	1.2
215.03575	0.6
217.05054	1.2
221.04533	0.7
223.07661	0.6
224.08412	1.5
225.05568	0.5
225.09232	0.6
233.04579	1.6
235.07703	0.5
237.05571	0.7
238.06270	0.8
239.07266	0.5
245.04614	0.6
251.07094	1.8
252.07774	0.4
253.05058	0.5
253.08661	1.2
254.05956	0.4
265.05042	0.6
266.05862	0.5
267.06573	1.5
268.07452	2.7
279.06628	0.7
281.04602	1.8
281.08038	0.5
282.05359	5.6
283.06107	7.9
293.04800	0.9
293.08115	1.1
295.06137	11.8
296.06863	6.5
297.07697	51.1
298.07925	0.7
300.14536	0.3
307.06210	5.6
309.04303	0.5
309.07623	4.8
311.05695	6.0
319.06201	0.4
321.03992	0.4
321.07693	1.1
322.04727	0.4
323.05624	6.6
324.06357	1.4
325.07196	18.6
328.05911	7.4
335.05646	3.3
337.07184	6.6
341.06631	0.4
349.07214	0.4
351.05133	1.2
353.06693	78.4
354.07016	1.3
355.08209	1.5
356.05463	2.3
365.06683	9.3
381.06290	0.4
383.07748	41.2
384.07947	0.5
391.08112	0.4
395.07800	5.1
397.09521	1.2
413.08755	4.4
425.08832	1.4
437.08643	0.5
455.10025	1.6
473.10962	15.2
503.11984	3.4
529.71948	0.3
575.14679	0.5
593.15216	100.0
594.15289	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	591.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68003	4.1
59.01381	47.1
61.98845	6.6
62.00685	4.0
71.01360	31.3
73.02943	6.3
78.45357	4.5
85.02967	10.7
89.02477	28.2
96.96104	4.9
101.02462	24.1
113.02441	17.7
114.67719	5.7
119.03471	7.2
137.02446	4.7
143.03445	6.0
163.06044	4.5
179.05606	5.1
240.20068	4.7
367.12384	23.1
393.17786	7.0
466.90100	5.0
555.22772	100.0
591.20654	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.249
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
51.08184	0.3
53.34777	0.3
53.72413	0.3
55.13598	0.3
59.01374	1.8
61.98835	2.7
63.96239	0.7
70.47681	0.3
71.01382	9.7
71.01769	0.4
72.99308	0.5
73.02935	2.7
78.95906	0.6
78.98589	7.3
79.95733	16.2
80.96513	91.5
81.03436	0.9
85.02946	4.7
87.00872	3.6
92.10178	0.6
94.98080	22.5
96.95994	1.5
97.02940	3.6
99.00842	0.8
101.02440	3.0
106.98096	4.7
114.38251	0.4
122.97585	9.2
125.02431	4.1
127.03974	1.6
134.97607	5.9
136.99126	2.3
141.51105	0.3
148.99156	7.9
152.98630	10.6
164.97273	0.7
164.98627	16.4
165.12830	2.2
182.99689	4.6
206.99698	5.3
209.11745	0.4
225.00774	26.1
243.01784	2.3
247.20573	0.8
291.19757	4.0
292.20068	0.7
299.04385	4.5
591.24890	100.0
592.25226	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59110	0.8
55.01900	5.1
57.03465	4.2
58.00611	1.7
59.01386	40.0
61.98840	2.2
71.01389	36.2
73.02943	10.7
83.01410	6.2
85.02965	20.8
86.10643	1.1
87.00896	4.0
89.02464	4.0
92.10069	1.2
95.01417	2.3
99.00879	7.4
101.02444	31.0
113.02464	12.2
119.05021	1.4
125.02461	4.3
134.03706	1.0
159.02998	1.2
160.03775	2.1
161.04543	12.1
186.12933	1.1
191.28020	1.0
205.12421	1.6
207.13954	1.7
223.13408	9.0
231.13982	1.4
249.14996	2.4
267.20822	1.1
271.06134	1.5
294.62543	1.0
369.19241	10.4
503.70316	1.2
531.24518	100.0
532.25305	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	590.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82420	0.4
57.10872	0.3
58.96893	0.3
59.04106	0.3
61.98836	100.0
63.20630	0.3
70.13182	0.3
92.84421	0.4
135.35352	0.4
135.78294	0.4
175.96111	0.4
180.01051	0.4
249.10634	0.4
522.24084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.3
61.98831	100.0
63.54076	0.3
65.83247	0.3
85.83676	0.3
101.39807	0.3
119.27783	0.3
133.16560	0.3
158.53702	0.3
165.58948	0.3
242.17847	0.3
292.19907	0.3
312.99365	0.3
317.36484	0.3
540.55615	0.3
595.57062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.7
61.98832	100.0
69.76403	0.5
95.80315	0.6
104.84639	0.6
196.84129	0.7
260.74625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18531	1.4
58.83720	1.6
58.84205	1.7
59.01391	4.5
92.66046	1.9
96.96042	4.5
101.72404	1.7
115.85226	1.7
116.92855	3.1
134.03770	22.2
136.01662	67.4
146.26164	1.8
149.06108	10.4
151.04021	94.1
151.05251	3.7
152.04811	8.2
167.07127	4.0
173.24402	1.8
225.82932	1.9
241.05127	25.8
246.64108	2.2
256.07437	19.9
261.06400	1.8
271.09811	38.8
302.10751	2.0
310.02048	2.3
541.28711	2.5
555.20886	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	591.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10777	4.3
51.68955	3.3
51.89576	3.4
59.01379	19.4
61.98848	7.3
69.63537	3.7
70.16059	4.2
71.01372	5.2
74.95287	3.2
85.84238	3.9
92.10797	8.7
93.03421	5.6
115.08392	3.8
146.03853	6.7
148.22752	4.5
149.02460	43.1
150.03197	46.5
160.01656	5.6
164.04778	18.5
165.05573	56.8
179.07127	5.3
195.06633	31.1
206.62456	4.7
216.93301	4.2
220.97125	5.1
269.08380	5.5
302.22595	4.5
329.13852	8.3
411.35599	4.7
422.14270	5.0
424.14886	5.6
471.20721	5.0
477.19119	6.9
507.20313	100.0
513.05835	5.0
555.22620	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11044	3.8
53.57385	3.0
55.46611	3.6
57.27498	3.4
59.01390	44.8
61.98830	5.4
63.09916	3.3
71.01387	9.6
81.63844	3.6
85.87222	3.6
91.43729	5.4
93.03498	4.2
95.05021	7.0
99.02009	4.0
101.02470	4.6
107.03754	6.5
108.04555	57.6
116.92870	8.8
118.06613	6.3
119.05051	6.1
122.06084	37.0
122.56950	4.1
137.02423	22.3
146.06140	32.9
150.03258	17.9
150.05658	4.6
152.31059	4.2
165.05551	8.8
183.87746	4.3
195.06651	25.6
197.14908	4.1
212.10928	6.3
227.08296	5.4
231.11377	17.8
241.09854	28.7
253.09830	18.9
254.10590	10.3
255.11469	32.5
257.13040	8.7
269.12964	24.3
271.06003	6.0
283.00180	4.3
286.09619	26.5
313.11865	5.4
314.12802	5.5
345.13773	5.6
378.18356	43.4
422.17297	75.6
433.27914	4.6
545.24109	100.0
571.24103	6.1
589.27118	5.3
609.52698	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	591.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70398	11.0
59.01387	44.0
61.98841	26.5
74.08834	9.2
80.82846	12.6
93.03478	16.6
131.78723	12.1
135.04486	12.2
137.02435	14.4
149.02406	19.0
150.03230	87.1
151.00397	17.7
165.05560	90.1
180.04247	13.9
182.14931	12.9
195.06621	100.0
230.17574	21.6
231.11372	16.0
329.13895	24.0
350.26361	13.5
374.34879	12.6
431.53232	13.6
555.22729	44.8
591.25293	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	589.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82468	1.7
59.01387	3.0
61.74722	1.5
61.98837	4.6
73.21859	1.7
83.05028	2.3
94.03033	1.8
95.05038	2.5
98.06123	2.1
108.04587	10.2
109.02917	2.6
110.06126	8.6
111.04503	2.7
120.04563	4.5
121.05323	3.2
122.06127	25.7
124.07694	3.7
125.39555	1.8
126.05580	10.9
132.04547	3.6
134.06117	4.3
135.03326	2.3
135.04523	2.3
136.07692	18.8
137.02519	2.1
142.23248	1.7
146.06140	31.5
148.04066	9.1
148.05269	1.7
148.07677	7.2
149.04779	2.0
150.05600	8.9
150.09265	11.1
151.00314	2.0
152.75368	1.9
161.04774	8.0
161.07193	2.4
162.05632	16.6
164.03534	4.1
164.07167	77.5
166.08739	10.9
168.06682	23.6
172.07639	3.2
175.08722	4.1
176.07153	11.0
193.07031	2.0
200.98624	1.8
201.06836	2.2
212.10907	1.9
215.08311	4.0
215.11971	1.8
217.09843	2.9
225.72884	2.3
226.12442	13.5
227.08290	11.4
227.11809	3.9
228.09015	3.1
229.13531	7.3
230.10585	3.6
239.08281	4.0
239.12009	2.2
240.08951	2.7
241.09871	3.9
242.06964	2.8
242.10498	1.9
242.12102	6.3
242.14108	2.7
243.11388	9.1
244.13460	4.2
245.12987	2.8
253.09813	24.3
254.10611	2.1
255.11401	2.4
257.09354	14.7
257.12863	20.3
258.13763	3.6
259.14526	24.4
267.11472	19.4
268.12225	11.6
269.12930	46.9
271.06235	2.2
271.10812	4.2
285.12491	33.2
287.14026	51.3
288.11157	3.7
289.15668	2.5
293.12778	2.9
294.13660	4.3
295.14499	10.2
303.97672	1.9
313.11935	13.2
316.10715	7.5
329.11398	4.2
331.13141	8.7
360.17242	3.9
378.18231	2.7
408.19153	17.4
420.19446	2.6
452.18390	69.4
462.20416	14.4
467.86765	2.2
527.26941	3.3
545.28131	17.8
571.25928	18.4
589.26697	100.0
600.04248	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	589.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66517	1.6
59.01381	6.6
61.35101	1.5
61.98829	4.0
65.59529	1.6
70.08392	1.3
71.01406	1.8
71.44782	1.6
90.25336	1.6
92.76871	1.6
119.05032	2.0
122.06110	14.3
127.97544	1.7
134.06100	1.7
136.07640	3.0
138.09276	4.1
144.77176	1.8
150.05602	3.2
161.04823	3.8
161.17119	1.7
162.05573	10.5
187.08824	3.8
201.10384	2.3
215.08261	8.4
215.11855	3.9
224.10992	2.3
225.10373	3.8
227.08330	2.3
227.11920	39.3
229.09822	7.5
229.13452	30.4
230.10561	7.0
239.08253	2.7
239.11917	2.3
241.09964	2.1
241.13513	2.3
242.06955	2.8
242.14243	16.0
243.07674	3.7
243.11383	8.2
252.09030	10.0
253.09810	25.7
257.09357	17.8
257.12994	8.8
258.13705	1.8
259.14545	17.0
267.11383	45.6
268.12173	9.3
269.12906	2.8
271.06250	2.1
283.11176	1.9
285.12473	6.8
287.14224	1.9
329.11505	13.0
330.12247	14.9
331.12793	2.7
340.51416	1.9
362.18787	7.8
380.19476	2.3
420.19382	4.1
435.22040	1.8
453.18839	2.0
454.19855	3.8
589.17377	3.4
589.26819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34672	1.1
53.16796	1.0
59.01385	3.1
59.49198	1.1
60.13302	1.2
60.53624	1.1
65.99906	1.3
74.86285	1.4
82.95461	2.2
83.01399	3.3
97.05738	1.4
110.57912	1.4
118.06619	13.3
121.05360	1.5
122.06145	5.1
150.03224	7.8
160.04094	13.5
161.04834	63.9
161.06003	2.5
162.05605	79.3
162.06934	2.9
164.03552	5.5
165.05605	8.1
175.02742	3.0
192.03018	10.5
193.03816	47.7
194.04486	1.8
195.06659	1.9
210.09248	1.6
231.14006	1.4
239.08325	8.3
242.10474	1.9
253.09828	40.3
257.12939	1.6
258.13760	6.9
259.14517	7.5
267.11374	11.5
268.12234	24.0
269.09348	2.2
269.12985	7.3
283.10849	2.8
284.11783	1.8
285.12421	16.2
299.13940	2.4
300.11200	5.2
313.11975	1.4
357.13556	5.1
420.19354	100.0
505.18771	5.5
571.25653	18.6
589.27014	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	589.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.5
61.98838	2.1
65.99860	4.1
66.03488	1.7
66.86307	1.8
83.05046	2.9
83.85193	2.1
86.24350	2.3
93.03442	2.1
107.05190	2.1
108.04571	10.5
109.02967	2.4
110.06136	8.5
111.04556	3.2
118.06629	3.2
120.04559	5.0
121.05324	4.3
121.06636	2.8
122.06112	40.9
123.04471	2.1
124.07671	4.2
126.05628	5.4
132.04547	3.8
134.06148	4.9
135.03336	3.9
136.07687	18.4
137.06090	2.4
140.03014	1.9
146.06125	44.5
148.04060	11.2
148.07709	11.2
150.05638	5.5
150.09225	15.3
151.05991	2.4
161.04823	11.4
162.05629	25.8
164.03516	13.8
164.07175	100.0
166.08696	11.8
168.06688	14.8
175.08743	4.9
176.07193	18.8
188.07112	2.9
193.03754	2.5
209.11798	2.3
215.03694	2.3
218.11778	2.6
226.12442	18.7
229.09819	3.7
230.08368	2.7
239.08188	5.2
241.09808	4.6
242.10498	4.6
242.12115	4.6
243.11351	5.2
244.13557	3.9
245.12912	8.7
249.15614	2.5
253.09828	20.2
254.10472	2.9
257.09476	8.3
257.12979	21.8
258.13654	2.7
259.14508	22.2
260.12933	2.7
267.11429	11.6
268.12213	16.3
269.12955	68.3
271.10806	9.9
271.14520	3.8
272.11572	7.6
285.12497	19.4
287.14032	94.3
289.15549	4.8
294.13727	4.9
295.14499	4.6
300.86130	2.4
312.11197	4.7
313.12067	30.9
331.13202	4.7
364.06989	2.6
408.19122	20.7
420.19513	5.4
452.18350	70.5
462.20438	4.3
527.27081	8.4
545.27783	51.6
571.25269	30.1
589.26691	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83059	4.2
55.57299	3.6
59.01402	4.5
62.53872	3.6
63.33593	3.7
63.37296	4.0
69.07584	4.0
78.56542	4.3
93.96198	4.3
97.02946	5.2
101.85379	4.4
111.18223	4.8
139.91275	4.4
152.68825	6.2
153.09203	5.1
163.11348	5.0
171.10240	9.8
209.11845	6.7
225.11424	5.8
240.63274	5.7
245.19113	30.1
279.23431	50.8
289.18140	96.8
307.19226	100.0
325.20242	26.3
336.50659	5.3
410.12430	5.4
472.26785	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	589.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78531	1.0
51.95944	1.0
52.59795	1.0
59.01381	32.3
68.69447	1.4
71.01379	16.8
83.01383	2.7
85.02954	5.9
89.02431	17.5
92.10831	2.6
99.00903	1.7
100.01707	1.4
101.02451	8.0
107.59261	1.6
111.00893	6.9
113.02440	7.2
113.99584	34.1
115.00391	12.0
119.03486	7.1
128.01112	5.1
156.00650	50.3
157.01331	1.8
174.01697	100.0
175.02415	2.3
179.05545	5.4
199.10344	1.2
200.56812	1.3
238.73906	1.4
238.87531	1.3
287.16486	1.9
367.21280	8.6
429.21136	1.7
467.22754	1.8
469.20966	26.8
511.21927	7.4
529.22986	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	587.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	21.5
61.98835	21.8
66.84581	8.0
71.48667	8.8
71.57732	7.8
88.98804	10.2
90.55222	9.7
119.05022	10.5
120.04557	20.7
122.06111	17.1
124.04046	53.8
148.03983	10.1
149.99002	8.6
168.06660	100.0
172.07692	11.7
209.11900	48.6
239.11963	9.7
240.90775	8.9
278.10760	10.5
293.13113	17.0
294.08755	9.0
294.13605	16.0
295.14572	80.5
308.17587	17.3
362.18942	16.5
405.06146	10.0
462.20190	13.0
587.24609	19.7
613.81396	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	587.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74759	7.0
54.98163	8.3
59.01401	37.2
59.10776	7.7
61.98849	18.0
74.98183	8.6
84.10760	8.1
88.85522	8.5
88.98815	18.8
107.66597	8.6
119.05010	10.9
120.04574	43.5
122.06108	20.5
124.04024	84.4
136.07709	10.3
161.07211	9.1
162.05606	10.3
168.06668	84.8
174.09271	16.6
175.03958	9.6
209.11823	10.5
239.11894	16.9
271.06247	13.6
280.12543	9.1
293.12936	37.2
295.14557	100.0
308.17575	18.1
312.18747	12.2
362.18723	39.2
380.19916	17.9
406.17706	16.0
424.18930	16.5
460.19220	10.3
461.19702	14.0
462.20209	11.5
587.16064	11.7
587.25330	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	587.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81620	1.9
50.85273	1.8
59.01382	12.8
65.20761	2.1
68.46066	2.2
71.01382	5.1
119.05037	2.8
129.09430	2.2
151.00374	2.4
153.90584	2.2
156.97729	2.5
160.04077	5.0
163.11299	2.6
171.10251	10.8
174.06790	3.7
197.10658	2.4
199.08781	4.8
209.11867	12.2
212.05948	11.5
213.06741	46.5
213.10207	17.7
226.07243	3.8
227.08289	90.3
228.09067	65.2
240.05399	3.6
240.09109	10.4
241.06166	59.4
241.09842	100.0
254.07217	3.4
255.07762	30.0
255.11465	21.1
256.08588	20.7
256.12152	56.1
269.09369	38.0
283.10855	40.2
300.11145	16.8
327.09985	25.2
328.10638	83.4
329.11362	4.2
490.18857	4.8
530.18542	2.7
531.20740	3.0
587.25232	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.0
61.98830	0.5
69.33220	0.2
71.01382	3.6
72.99332	0.3
73.02943	0.4
85.02942	1.0
86.85877	0.2
87.00906	0.2
89.02441	3.7
92.10783	0.3
95.01434	0.3
96.29494	0.2
99.00853	0.3
101.02441	4.4
107.11424	0.2
113.02459	1.4
118.60077	0.3
119.03504	1.0
119.04984	0.3
121.29300	0.3
128.46056	0.2
135.45331	0.2
148.08920	0.6
150.10498	0.4
151.11371	0.4
161.04602	1.8
163.11349	0.6
165.12849	17.5
175.11296	0.3
176.12106	0.3
179.05571	0.3
180.53311	0.4
191.14441	0.4
209.73318	0.2
211.13446	0.3
217.15991	0.5
225.32730	0.3
225.91545	0.3
247.20689	10.3
253.09309	12.9
273.18594	6.5
291.19693	100.0
292.20093	1.1
463.80930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.2
59.01654	0.9
59.14526	0.6
60.65163	0.5
71.01378	5.9
73.02958	0.8
83.01405	0.7
83.51167	0.7
85.02944	0.7
87.00856	0.6
89.02422	4.6
101.02450	6.6
108.17664	0.6
113.02460	1.3
119.03504	0.8
154.35384	0.5
156.76657	0.6
159.12874	0.6
161.04549	0.9
163.11232	1.1
165.12849	19.3
171.10254	3.0
176.11996	0.7
179.77661	0.5
180.07359	0.6
195.61208	0.6
209.11884	2.3
247.20699	8.4
253.09326	16.0
273.18564	4.7
291.19690	100.0
292.20081	0.7
293.02521	0.7
307.91559	0.6
326.80157	0.7
336.32565	0.7
492.24887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47556	0.1
61.98832	100.0
63.36800	0.1
70.71516	0.1
92.10111	0.3
119.13622	0.2
165.05469	0.1
213.63167	0.1
284.79248	0.1
315.84918	0.1
362.16946	0.2
414.83163	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	586.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80612	0.3
54.82661	0.4
59.01385	1.5
61.98837	100.0
71.01385	0.5
76.59077	0.3
81.07274	0.3
85.77672	0.4
121.02983	0.4
149.20847	0.5
175.48055	0.4
226.04478	0.4
299.21979	0.4
322.82947	0.4
336.42770	0.5
366.75452	0.4
405.60153	0.4
526.22717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92648	1.1
62.15778	1.6
67.14082	1.3
67.22459	1.2
70.03723	1.2
72.86056	1.2
81.29893	1.3
92.49290	1.4
96.63224	1.6
100.99261	1.3
108.45524	1.5
153.12866	1.6
165.12860	11.9
169.12375	1.7
181.12361	9.5
189.08353	1.5
247.20580	2.4
249.22453	1.6
273.18582	2.0
290.10199	1.4
291.19659	24.2
293.21240	17.3
311.22345	100.0
421.48450	1.5
470.44052	1.8
471.45129	1.6
473.32895	2.4
567.40851	6.6
589.45715	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	585.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57253	0.4
61.10131	0.5
64.35135	0.4
111.25112	0.5
150.74681	0.4
200.62067	0.6
255.23312	100.0
256.23709	0.5
279.51593	0.5
382.95450	0.7
403.69589	0.5
419.37936	0.6
441.89441	0.7
494.18591	0.6
585.00354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82341	2.3
71.01392	2.5
73.42515	1.9
73.99863	2.1
78.95932	2.7
87.00895	8.3
87.92538	51.4
99.71038	2.2
103.92038	100.0
104.92809	34.0
105.93603	14.6
111.00919	8.3
123.94653	30.9
127.48992	2.0
127.95634	2.9
142.82578	2.4
145.96713	71.4
161.96237	29.1
163.97765	12.9
171.94713	19.0
173.96228	3.9
174.19232	2.4
189.95688	10.6
191.01985	8.8
199.94142	49.5
202.11226	2.5
242.10754	2.4
243.93115	3.8
278.99292	2.4
303.95160	5.2
423.99872	2.3
452.05917	4.4
452.52176	2.7
482.03534	2.8
586.05157	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	585.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.2
58.01280	1.3
64.40575	0.9
64.60277	0.9
65.00344	1.0
72.02322	1.1
73.11205	1.2
96.96006	17.7
104.85641	1.2
113.09750	1.8
127.11250	1.1
154.95375	1.0
168.41942	1.4
221.19128	55.4
239.20149	6.6
265.18100	38.6
283.19177	49.0
301.20224	41.5
319.95541	1.3
567.39697	1.6
585.40167	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	585.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18887	1.5
55.77631	1.2
57.03454	3.0
59.01357	1.8
72.98500	1.7
73.34253	1.7
97.02951	2.3
97.06571	3.0
122.76958	1.8
123.04490	2.1
125.09711	10.8
135.08157	2.4
137.09770	3.3
153.09216	7.5
163.11243	10.8
171.10242	9.3
173.38493	1.7
185.11810	10.0
191.14441	11.4
207.10199	7.3
209.11810	2.7
217.16177	2.2
225.11339	3.3
245.19136	24.5
271.17209	2.1
277.21701	37.0
289.18143	100.0
307.19214	73.5
325.20239	17.8
468.12930	1.9
513.56805	2.0
567.40778	2.3
601.58044	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01861	6.7
56.38877	8.4
57.03459	20.7
59.01386	61.3
63.51187	7.1
63.67584	7.1
71.01415	10.9
75.51141	8.4
89.02458	15.5
96.96017	14.5
99.04517	17.0
101.02435	17.2
115.94253	8.6
125.02446	9.4
150.03233	41.7
161.76305	9.0
165.05527	37.6
283.28265	11.4
305.97284	12.0
313.62009	10.6
319.63589	9.1
453.40933	10.7
461.07327	10.0
505.28143	9.0
516.82806	8.9
549.25623	69.9
585.23480	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	585.2328
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
50.04073	2.4
57.03450	2.9
57.60061	2.5
59.01375	36.5
60.12738	2.7
61.98833	40.6
71.01382	20.6
78.41808	2.9
80.64812	2.9
81.11050	3.2
85.02961	5.8
87.00935	2.9
89.02432	24.3
92.10162	6.1
96.96002	3.9
101.02438	17.3
108.14874	3.1
113.02451	6.7
116.92838	5.5
119.03515	6.5
135.04506	3.9
161.04613	4.4
167.07176	6.5
169.10609	3.4
179.05539	17.9
195.06731	4.7
254.20322	3.3
372.34595	3.5
490.24228	3.6
549.25812	6.3
553.41040	3.3
585.23254	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	585.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05680	1.3
55.49170	1.4
58.82057	1.4
59.01379	1.5
61.98838	2.7
91.73276	1.4
97.76254	1.3
101.84015	1.6
120.08171	1.8
122.06107	2.0
124.07635	2.8
132.18741	1.5
134.06116	3.0
146.06113	17.9
148.07729	14.7
162.05608	7.2
179.05969	2.3
191.31226	1.4
202.35165	1.7
212.10811	7.0
213.10361	2.3
218.52028	1.6
226.07588	3.7
226.12431	10.2
227.08270	38.4
227.11870	2.3
234.78581	1.5
239.08327	1.8
240.09009	8.3
241.09837	48.3
242.10645	6.4
254.10541	6.2
255.11392	32.7
269.12930	49.0
270.13651	6.6
271.14523	20.6
272.08032	2.5
313.11874	2.9
314.12744	3.7
364.16708	2.9
378.18011	3.1
408.15646	2.1
437.19485	12.5
585.27313	100.0
596.68604	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	585.2327
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
52.61991	2.3
52.75713	2.1
56.07127	2.6
57.03452	4.3
57.45874	2.5
59.01384	37.8
61.98556	2.6
61.98828	20.8
65.99408	2.2
68.21384	2.3
71.01391	18.1
71.54388	2.6
73.02956	2.3
75.98059	2.3
80.01096	2.3
85.02960	4.3
87.00866	3.0
88.98819	2.6
89.02442	30.9
96.96038	2.9
99.04519	2.7
101.02452	16.0
113.02454	14.6
116.92884	13.2
119.03474	11.7
121.02937	3.4
125.02467	5.5
135.04564	3.7
137.53584	2.7
139.30063	2.5
143.03468	3.2
179.05579	18.6
224.59239	2.6
289.94855	2.9
423.08472	2.6
446.89273	2.6
449.07910	2.6
549.25604	23.8
585.23273	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	585.2329
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
55.01897	2.5
57.03454	3.0
59.01379	99.3
59.01651	4.7
61.98835	11.9
71.01401	17.5
83.01356	3.9
84.54440	2.8
85.02955	7.1
87.29697	2.7
89.02439	6.2
96.96021	3.5
99.04496	3.5
101.02463	20.0
113.02473	5.9
121.02964	12.7
159.23132	2.8
161.04561	6.8
174.42604	3.0
261.15399	3.7
313.14560	3.1
409.91470	3.0
475.19974	5.6
489.21484	14.2
507.22342	23.1
549.25653	28.9
585.23273	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	584.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74480	0.2
59.01389	1.8
61.27057	0.2
61.98839	100.0
62.32206	0.2
66.80066	0.2
70.25845	0.2
74.32784	0.2
79.07316	0.2
110.92995	0.2
149.02443	0.2
164.04782	0.8
179.07114	0.2
263.65903	0.2
305.69354	0.2
324.01111	0.2
362.16949	0.3
494.20026	0.4
505.19763	0.3
506.20251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58491	0.1
57.92663	0.2
58.78307	0.1
61.70831	0.2
61.98830	100.0
72.59731	0.2
85.84149	0.2
98.65482	0.2
145.99879	0.2
146.29181	0.2
153.16812	0.2
175.04002	0.3
224.62077	0.2
260.79623	0.2
267.73816	0.2
328.98367	0.2
429.26587	0.4
521.31152	1.6
533.52026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71546	0.3
61.41772	0.3
61.98831	100.0
65.60088	0.3
82.89922	0.3
175.03937	0.6
211.70563	0.3
300.73190	0.3
301.97665	0.3
337.17865	0.3
366.00574	0.4
413.78836	0.4
491.65979	0.4
521.30798	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	585.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
59.96160	0.5
65.95607	0.7
76.53864	0.6
78.95918	3.2
79.95705	1.0
83.31540	0.7
83.71712	0.6
85.12352	0.6
85.67010	0.6
96.96004	100.0
96.96984	3.1
120.07117	0.7
124.87730	0.7
130.32855	0.8
135.04521	0.8
198.80499	0.8
199.98549	0.7
200.95645	0.6
230.82343	0.8
263.54767	0.8
360.33075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.7
60.01707	0.2
61.01812	0.3
61.98833	100.0
114.80183	0.2
233.98616	0.2
315.11978	0.2
327.11923	0.4
329.13782	0.2
330.14352	1.1
331.14600	0.8
332.14813	0.8
342.14218	0.9
343.14807	0.2
344.14734	0.2
488.73761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01384	4.5
61.98831	100.0
64.89122	0.3
72.79693	0.3
82.95437	0.3
84.53479	0.3
88.98769	0.3
96.17010	0.4
96.31232	0.3
128.03476	0.3
143.11902	0.4
143.76591	0.4
161.04691	0.4
163.21899	0.3
205.77809	0.4
208.56816	0.3
329.14166	0.3
330.14200	0.5
331.14523	0.6
332.14838	0.5
344.15607	0.4
349.85568	0.3
584.34100	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	584.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17554	0.2
58.78346	0.2
59.01383	1.0
61.72101	0.2
61.98831	100.0
66.98858	0.2
67.14526	0.2
70.17807	0.2
84.47170	0.2
84.78680	0.2
88.29092	0.2
89.02470	0.2
94.08633	0.2
104.38909	0.3
122.03731	0.3
135.04462	0.5
160.05203	0.4
161.05865	0.3
162.06247	0.3
175.07611	0.5
179.06967	0.2
180.07878	1.9
181.08261	0.4
192.07968	0.2
193.51346	0.2
194.05833	0.4
195.06578	0.3
199.04648	0.2
329.13818	0.5
330.14151	1.1
331.14932	1.6
332.15479	1.5
361.16675	2.4
362.16876	4.2
435.40912	0.3
517.77417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2405
Annotation	Briaexcavatolide K
Peak:m/z	Relative Intensity
54.30099	0.6
55.01891	3.6
57.03458	1.3
59.01384	35.6
59.87240	0.7
61.98838	4.1
63.85362	0.7
64.39693	0.6
71.01381	18.8
72.99305	0.8
73.02961	4.6
83.01407	4.7
84.39824	0.8
85.02961	8.0
87.00909	1.7
89.02438	8.6
95.01391	1.8
96.96004	0.9
99.00901	1.7
101.02452	10.7
106.16399	0.8
109.02972	3.9
113.02433	5.2
113.74152	0.7
119.03531	1.4
121.02930	13.0
122.03736	10.2
123.04494	2.8
134.03738	0.9
135.04529	4.2
137.02473	3.3
147.04524	7.7
149.06061	1.7
154.02725	0.8
161.06038	1.5
162.06921	0.7
164.04781	0.9
165.05569	25.3
165.06868	1.5
175.07713	0.8
179.05708	1.2
179.07162	6.4
191.07109	2.9
200.73004	1.0
229.65511	0.7
232.21831	0.7
245.32101	0.7
260.09753	0.8
283.09415	0.9
313.14560	1.8
315.12518	1.2
328.13321	1.6
329.13879	1.6
343.15622	3.9
343.36859	0.9
346.14246	9.3
347.15225	0.9
361.16635	66.3
443.12833	0.8
460.09927	0.8
461.98022	0.9
523.21924	100.0
524.22101	1.2
594.87830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24003	0.6
59.01395	4.6
59.75161	0.6
61.01805	0.9
61.27959	0.6
61.98833	100.0
62.70169	0.6
64.28674	0.7
64.29024	0.6
78.95917	5.0
80.96526	3.2
82.96126	1.3
83.28350	0.7
88.92999	0.6
92.93486	0.6
94.98121	0.9
121.20249	0.8
152.99617	2.9
161.27277	0.8
180.38348	0.7
225.52480	0.7
233.36676	0.7
281.24866	13.8
282.25241	23.1
283.25543	14.7
284.25745	7.8
298.64465	0.8
376.72256	0.8
382.91156	0.8
476.90204	0.8
506.32321	1.3
507.32797	1.5
508.33276	4.4
509.33435	7.8
577.07159	0.9
583.20520	1.8
583.30457	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	583.401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83893	0.5
51.50830	0.5
57.03465	1.1
59.01376	1.2
59.22948	0.7
71.01379	0.7
73.93795	0.6
76.57998	0.6
80.27212	0.6
83.05040	0.7
90.38946	0.6
107.44460	0.7
111.08193	3.2
125.09670	1.1
126.83473	0.7
127.11288	1.4
150.03835	0.7
151.11305	2.9
153.12881	6.3
155.10861	0.9
163.11305	1.3
165.12846	15.0
167.10730	1.6
169.12381	0.8
179.14420	3.1
181.12344	2.6
192.35410	0.8
197.11893	4.0
199.13409	0.8
207.13995	1.1
215.12856	1.4
217.15956	0.7
235.70956	0.7
247.20679	14.4
263.20251	0.8
273.18573	7.2
281.21194	1.5
291.19699	78.5
292.19806	0.8
309.20752	100.0
310.60168	0.7
565.39209	6.6
583.40381	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	583.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07541	3.5
53.39836	3.2
59.01384	7.0
59.86665	3.5
63.93585	3.1
78.20309	3.0
85.02952	38.1
93.55233	3.6
96.96030	5.2
101.02460	3.9
137.02443	4.0
147.04543	3.9
148.05362	4.5
159.40807	5.3
164.04852	4.1
205.05119	6.6
206.05859	14.6
210.71790	3.9
220.07442	18.2
221.08232	35.1
223.06252	5.4
238.97098	4.7
283.09760	5.3
319.57141	3.9
323.74924	3.7
331.11966	5.7
423.07581	4.1
454.16931	4.0
457.11084	5.0
457.17258	100.0
511.18594	6.0
557.83429	3.9
583.18365	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	583.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	81.4
61.98840	2.5
70.42603	0.5
71.01398	1.8
71.32231	0.5
85.02966	0.7
92.10749	0.8
101.02484	0.8
104.16736	0.5
113.02495	0.8
116.92849	2.9
117.92892	0.7
118.92686	1.9
121.02938	6.8
150.49644	0.6
166.06354	95.5
179.07080	0.7
181.08713	100.0
192.76762	0.5
228.35759	0.6
267.21481	0.6
361.16641	45.9
448.94308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02246	1.2
59.01385	9.9
59.02537	1.6
71.01404	3.1
84.12323	1.3
89.02444	1.9
96.96033	1.7
122.03744	2.0
131.03528	2.4
134.03722	2.3
135.04535	13.8
137.02452	1.6
140.36548	1.3
149.06079	5.6
154.02687	1.6
161.06140	3.0
163.04063	3.2
166.02710	1.6
167.07138	7.1
179.07162	5.8
180.04292	2.3
180.07927	41.8
182.05904	2.9
190.06424	2.1
190.73920	1.3
191.07246	1.6
192.07927	8.6
193.04985	1.4
193.08675	2.4
194.05911	9.3
195.06619	6.7
209.08217	1.8
212.06934	5.9
222.92284	1.4
226.08498	2.5
269.77652	1.3
297.11325	1.9
299.43161	1.5
305.97302	1.3
313.10812	6.3
316.13263	7.7
328.13293	12.6
331.15533	22.7
343.15527	17.4
361.16614	100.0
578.07782	1.6
602.78601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21500	0.9
51.42998	1.0
59.01387	17.0
61.98826	1.3
75.90963	1.0
78.95892	18.9
92.66263	1.6
95.93311	1.1
102.01054	1.2
152.99629	2.4
164.83635	2.8
168.04289	5.0
224.06952	7.7
283.26450	100.0
508.34161	55.8
510.28589	1.3
535.02039	1.4
539.52246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13443	1.6
59.01400	3.7
61.98829	2.3
63.92600	1.8
71.01400	3.6
88.04062	2.5
89.02436	2.1
96.96011	12.9
101.02464	3.3
113.02483	1.8
116.92862	3.6
119.05004	8.5
129.04640	2.0
135.04494	2.8
149.02438	27.4
152.01183	7.6
157.74098	2.7
163.04012	8.1
164.04778	26.8
173.07220	3.2
179.07112	9.9
189.77779	2.1
190.02730	11.5
193.01390	15.1
205.05063	10.8
206.05809	2.5
208.03804	39.8
221.08177	4.9
223.06155	100.0
245.87152	2.2
279.60571	1.9
291.25354	2.0
385.11490	36.4
457.17230	9.2
583.18506	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	583.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68257	5.1
54.82712	8.5
59.01388	16.3
85.02969	32.4
96.96019	43.3
125.27531	6.3
129.03839	6.3
152.39810	6.0
195.06476	6.6
221.08183	13.0
225.59097	6.9
343.11798	8.3
412.03943	7.2
442.88019	7.0
457.17371	100.0
485.95828	6.7
583.17773	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	582.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78571	0.1
59.01106	0.3
59.01391	7.1
60.01724	0.9
61.01812	0.4
61.98840	100.0
66.47253	0.1
71.01396	0.2
75.26077	0.1
80.13039	0.1
85.30089	0.1
88.98895	0.2
92.10770	0.2
97.95174	0.2
160.05266	0.7
161.05681	0.2
175.07599	0.2
192.07886	0.2
251.06871	0.2
283.09613	0.2
298.07996	0.7
309.07645	0.2
311.08456	0.3
313.10455	0.3
315.11688	0.2
327.11737	0.3
328.12762	0.8
329.13754	2.2
330.14282	2.5
339.12347	0.3
340.12711	0.3
341.13077	0.8
342.13712	0.7
359.14551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41878	0.1
54.66409	0.1
57.23957	0.1
59.01387	1.0
61.98836	100.0
62.56606	0.1
74.72083	0.1
96.95959	0.1
110.68161	0.1
116.92857	0.6
117.92875	0.2
136.01697	0.2
137.02022	0.1
151.04070	0.3
178.59644	0.1
190.92331	0.1
236.82527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19016	0.8
59.01383	20.6
61.98824	1.5
63.96254	0.7
66.18792	0.7
71.01381	10.1
73.02942	1.6
74.72063	0.8
77.26195	0.8
78.95898	19.9
78.98597	7.4
79.95733	10.3
80.96510	77.7
84.31757	0.9
85.02965	2.0
87.00897	1.5
90.50038	0.8
92.10757	1.3
94.98078	16.7
96.96017	4.2
97.02950	1.7
101.02428	4.4
103.34290	0.9
106.98087	3.7
115.01732	0.8
119.48710	1.1
122.97601	6.8
125.02423	3.3
134.97575	6.0
136.99164	1.0
142.50299	0.8
148.99149	7.7
152.98579	6.8
152.99687	1.7
164.98616	13.5
167.92856	1.0
168.04335	1.7
182.99684	1.8
184.61726	0.9
206.99768	3.0
224.06926	7.5
225.00734	23.0
225.07094	0.9
242.07980	1.3
255.23358	1.5
281.24872	70.8
282.25211	46.2
299.04471	1.9
506.32642	20.2
507.32925	35.0
581.30078	100.0
582.30365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16111	0.5
59.01379	5.0
60.08783	0.5
61.98829	100.0
71.01363	0.6
76.22797	0.6
78.95899	1.3
79.85972	0.6
80.96518	4.1
82.96116	3.8
94.98068	0.7
96.97614	0.5
152.99696	0.7
183.13881	0.7
240.09216	0.7
244.60629	0.6
271.22803	18.3
279.23306	11.2
280.23669	13.7
281.24011	8.4
282.24228	5.7
309.20691	1.4
347.47128	0.6
371.45242	0.7
499.31201	0.6
505.31323	1.0
506.31482	2.7
507.31671	5.1
581.28497	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	581.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96725	0.4
59.01409	0.4
131.45677	0.5
141.73224	0.5
170.83917	0.5
279.23309	100.0
581.45618	41.3
582.46436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.5
60.01725	0.5
60.28556	0.2
61.01808	0.5
61.98833	100.0
71.01378	0.5
77.58892	0.2
82.05197	0.2
89.02452	0.3
89.75497	0.2
96.96008	0.3
101.02422	0.4
107.05058	0.4
109.02969	0.3
113.02498	0.2
116.92844	2.2
117.92849	1.2
127.68565	0.2
134.03763	0.4
136.01648	0.9
137.84961	0.2
147.04439	0.3
151.04033	1.6
155.36966	0.2
161.06053	0.2
179.07100	0.5
213.09195	1.3
214.09503	1.0
281.08221	0.3
296.10446	0.2
298.07886	0.3
309.11151	0.2
311.08511	0.2
312.13205	0.4
313.10522	0.3
322.11841	0.3
327.12466	0.4
328.12613	1.1
329.13345	1.0
330.13794	1.2
339.12326	0.3
340.12640	1.2
341.13483	0.7
342.13428	0.4
359.15060	1.0
360.15179	1.7
361.16547	0.5
372.80319	0.3
419.13425	0.3
420.13828	1.7
458.57642	0.2
523.21686	1.2
546.22363	0.2
559.33899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03743	5.8
59.01387	13.0
60.42426	5.6
61.98830	100.0
71.01396	9.4
88.21674	6.8
129.76231	6.7
134.65273	6.9
136.01642	7.7
167.12154	7.1
171.10208	6.6
209.11838	13.6
243.01234	7.5
383.11551	10.0
385.12979	9.5
396.86124	6.8
491.20306	7.3
565.16724	7.1
581.32190	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	581.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48702	0.5
53.93222	0.5
54.82437	0.6
59.01384	2.2
63.96248	0.5
67.43263	0.5
69.03467	0.7
71.01382	11.2
73.02961	2.8
74.92416	0.6
77.47749	0.5
78.98602	6.3
79.95737	12.8
80.96520	90.2
81.03402	0.5
85.02961	4.7
87.00887	2.7
94.98096	21.9
95.99407	0.7
96.95994	0.6
97.02966	2.7
97.35924	0.6
101.02453	3.0
106.98101	5.2
112.15453	0.6
122.97581	8.3
125.02449	4.2
134.97586	8.5
136.99136	2.2
140.42868	0.5
148.55797	0.6
148.99150	7.6
152.98622	8.9
164.98640	17.2
167.24974	0.8
173.58809	0.6
182.99678	4.0
206.99724	5.5
225.00783	20.5
243.01846	2.4
251.08382	0.6
253.24304	0.7
281.24915	5.2
299.04523	4.4
373.47104	0.6
503.50711	0.6
581.30084	100.0
582.30511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21025	0.2
59.01376	0.4
61.72881	0.2
81.03438	0.2
82.98637	0.2
93.03474	1.1
95.01443	0.3
106.04295	0.4
107.01422	0.3
107.05073	0.5
108.02179	3.6
109.02979	1.2
111.57781	0.2
121.02972	0.3
123.00871	2.7
123.04543	1.6
125.02457	4.0
134.03745	3.8
136.01659	2.6
137.02448	6.5
145.03024	0.4
147.03259	0.4
148.04112	0.3
149.06093	0.5
151.00354	0.3
151.04025	0.6
151.07652	0.5
161.02451	0.6
162.03206	2.5
163.04047	1.7
165.01945	1.2
176.03568	0.5
177.05598	2.5
180.04295	100.0
181.04645	0.5
195.06645	92.8
196.06950	0.5
199.08803	0.3
213.09264	4.0
215.11958	0.8
241.09785	0.3
241.36540	0.3
255.11543	0.6
257.11905	0.4
269.09464	0.4
271.11029	0.3
281.09354	1.2
299.10440	1.2
313.11917	0.3
325.08463	0.4
344.12924	0.3
359.15152	0.4
419.10587	6.2
581.17419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.60614	0.5
69.02832	0.4
77.91518	0.4
92.10106	0.8
121.02937	2.6
147.04546	0.7
159.04488	0.4
211.22658	0.5
240.04218	0.8
255.10268	1.8
266.05634	0.5
269.08249	13.2
271.09619	0.5
281.08182	2.1
283.09775	5.6
299.09311	10.9
311.09320	15.1
314.11655	20.5
315.12003	0.6
325.10886	0.8
326.07846	0.6
326.11688	13.9
329.14011	56.5
330.14377	2.0
341.13977	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61102	0.3
57.03454	0.3
58.13168	0.3
59.01385	100.0
61.14371	0.4
61.98834	1.5
70.97752	0.4
71.01379	2.6
73.02944	0.6
79.31528	0.3
83.01414	0.3
85.02956	1.8
93.03447	0.7
95.01370	0.4
99.00856	0.4
99.91236	0.4
101.02445	1.7
109.02963	4.3
113.02466	0.4
115.58089	0.4
121.02951	22.5
122.03713	2.1
123.04469	0.6
129.03481	0.4
132.48491	0.3
147.04526	4.4
154.02748	0.5
161.04546	2.1
165.05569	19.4
179.07129	4.8
208.07239	0.4
221.08238	0.6
313.10846	2.7
344.12708	13.3
359.15063	57.4
521.33093	2.2
542.08832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.6
60.13639	1.2
71.01373	19.7
71.01649	1.1
73.02944	3.4
74.47419	1.3
82.95426	1.3
83.01375	2.6
85.02951	8.3
87.00891	1.6
88.81345	1.3
89.02438	10.3
97.99014	1.2
99.00864	1.5
101.02429	14.6
113.02437	3.1
121.02917	7.5
136.01614	1.8
151.03946	5.3
159.04485	1.8
253.08911	2.0
265.08701	2.8
267.06705	2.4
268.07431	5.6
269.08179	6.8
281.08182	13.4
282.08972	6.2
283.09854	9.7
293.08142	2.5
295.09778	5.8
296.10434	2.3
299.09290	5.9
311.09274	6.1
314.08310	2.2
314.11566	10.4
315.12653	5.0
326.11615	14.1
327.12393	9.1
329.13922	18.7
332.29904	1.7
341.13904	8.8
343.11963	2.5
355.11801	6.2
369.13309	2.3
401.06451	1.7
473.14566	2.6
476.16843	18.0
488.16830	8.9
491.19250	100.0
503.19266	80.3
521.20453	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	581.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63747	0.2
51.41902	0.3
59.01385	100.0
71.01384	1.9
72.72511	0.3
84.95154	0.4
89.02460	0.8
92.10110	0.6
101.02418	0.5
113.02412	0.4
116.92867	3.0
121.02939	2.9
134.03732	1.5
135.04536	0.5
144.47041	0.3
145.02951	0.5
147.04504	0.8
149.06119	0.4
159.04514	0.5
160.29018	0.4
162.48679	0.4
240.04277	0.4
241.08815	0.4
251.07085	0.8
254.05881	0.5
255.10434	1.2
265.08710	0.6
269.08200	17.0
271.09827	0.7
281.08176	2.4
283.09772	6.8
284.10477	1.5
295.09842	0.7
296.10583	0.7
298.12253	1.2
299.09296	10.8
310.08636	0.5
310.11890	0.4
311.09311	15.9
311.12534	0.9
313.10846	0.5
314.11639	21.5
325.10870	2.1
326.11661	17.9
329.14005	57.7
330.14371	0.5
341.14001	32.5
358.15424	0.4
359.15063	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	581.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48947	0.3
57.03463	0.6
59.01377	6.7
61.98840	1.4
67.28484	0.3
68.18233	0.3
71.01379	2.1
82.30843	0.3
85.02912	0.4
89.02476	1.7
92.05061	0.8
92.10201	0.7
99.04525	0.4
101.02425	0.5
106.06635	0.3
108.04544	0.6
109.02954	1.6
113.02426	0.7
120.04543	3.4
120.17920	0.4
121.02923	0.4
122.06107	3.0
132.04576	0.7
133.01637	0.6
138.05734	0.4
144.08147	0.4
147.03265	10.8
148.04074	6.5
150.05620	2.1
152.82698	0.3
159.04414	0.4
161.04654	0.5
164.03590	0.6
172.11256	1.6
173.06042	0.5
174.01848	0.5
174.05603	0.4
175.02725	5.3
176.03537	8.7
179.05815	2.2
181.07738	0.4
184.06386	0.8
187.05151	0.8
187.08784	0.7
189.05559	0.6
197.07169	0.6
199.05208	0.4
199.08803	4.5
200.10841	0.4
206.04555	2.6
207.05399	2.2
208.06152	0.5
210.07707	1.0
210.09547	0.7
211.08670	0.7
212.05934	0.4
212.10826	1.6
213.06737	0.6
213.10364	0.7
214.07578	0.8
215.08342	0.8
215.11906	12.8
219.01672	0.7
220.02495	0.7
222.07973	0.6
225.06775	3.0
225.10217	2.9
226.07404	1.3
227.04614	2.1
227.08170	3.3
227.11752	2.6
228.10347	0.7
237.06665	0.5
237.10347	1.7
238.07175	2.5
239.08266	1.4
240.09030	4.9
241.05139	1.9
241.09827	6.5
242.07007	0.7
243.07703	6.4
243.11368	2.4
251.08270	0.5
253.09795	3.8
254.07239	0.6
255.07588	2.0
255.11407	5.0
256.09744	1.8
265.06186	0.7
266.06931	4.2
269.05701	4.3
269.09229	2.1
270.06784	0.4
271.07233	1.9
271.10873	5.9
274.11401	0.4
279.07788	0.6
281.09338	10.6
283.06946	1.1
284.08090	2.1
285.08762	0.7
297.08795	3.4
299.10410	10.3
303.09799	1.6
307.07144	2.3
310.05856	0.4
313.11847	5.1
315.09982	0.6
325.08310	3.8
326.91626	0.3
329.10483	1.5
331.13062	2.4
339.09863	0.6
341.10541	0.5
343.09326	2.3
344.12729	4.7
357.11063	3.2
359.08688	0.6
359.15088	12.5
369.07330	0.6
375.11880	3.1
401.09970	0.7
419.11017	100.0
420.11401	1.5
448.58228	0.4
460.65195	0.4
509.68494	0.4
545.22418	0.5
546.74756	0.4
581.16272	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	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
57.74191	0.2
59.01385	5.2
68.02403	0.2
71.01373	2.1
71.66378	0.3
73.02946	0.4
74.20866	0.2
85.02971	0.4
97.37830	0.2
101.02465	1.0
108.03564	0.2
112.02201	0.3
113.02489	0.5
119.41779	0.3
121.02942	4.8
122.03738	1.9
123.00880	1.2
123.04514	0.4
124.01660	0.4
124.38267	0.3
136.05304	1.2
143.05031	0.6
147.04530	3.3
149.02470	1.8
150.03223	4.0
153.05545	0.3
158.03703	2.8
159.04515	7.9
160.05299	32.3
161.04590	1.0
161.06073	7.7
163.04005	5.4
164.04794	5.1
166.76550	0.2
173.06090	4.0
174.06845	1.3
175.07637	29.0
176.04858	0.5
177.05559	7.1
178.06355	13.3
191.07127	0.6
192.07925	3.6
193.08696	3.6
216.84453	0.3
220.58952	0.3
221.11913	0.4
313.10629	0.3
314.11792	0.5
329.13974	100.0
330.14313	1.2
359.15039	12.5
546.41064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1832
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
53.72562	1.1
59.01387	10.9
59.81434	1.2
59.89217	1.3
66.57901	1.5
70.15844	1.2
75.54586	1.3
78.95901	100.0
80.96502	2.3
92.10120	1.4
96.95994	2.7
96.96983	2.9
96.99335	1.3
98.95598	1.9
99.92599	11.5
100.18082	1.6
100.93371	2.5
115.92063	33.6
116.92867	31.0
141.01703	5.3
150.98067	2.1
152.99574	29.1
155.95273	1.5
164.90558	1.6
171.00612	12.0
172.95517	5.7
178.88431	2.9
179.89211	34.1
180.90033	26.5
181.90836	2.9
196.89502	53.1
196.91205	2.8
203.36914	1.5
204.90059	1.3
205.90782	7.7
206.91602	5.3
221.90309	1.5
235.91859	8.4
236.92661	19.9
246.27867	1.5
252.91814	1.8
278.93643	2.9
310.96390	2.4
329.91702	1.7
473.13684	2.6
490.14301	1.6
545.16046	2.5
563.16809	2.1
581.18317	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02313	0.1
59.01385	14.2
62.26486	0.1
65.82607	0.1
74.97559	0.1
78.95901	5.6
80.96542	0.6
84.42021	0.1
84.75418	0.1
92.10183	0.1
146.46158	0.1
152.99609	1.0
168.04338	1.4
198.07596	0.1
201.26822	0.1
224.06923	0.7
236.66852	0.1
242.05743	0.2
242.07979	2.0
281.24881	100.0
282.25436	1.0
506.32574	23.0
507.32773	0.3
581.30182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66607	0.2
59.01388	17.0
59.94093	0.2
61.98818	1.6
64.34061	0.2
73.27994	0.2
78.95907	18.8
80.96516	1.9
83.78737	0.3
94.98097	0.3
96.96969	0.4
134.98549	0.2
152.99628	3.4
164.98572	0.3
168.04337	3.3
224.06955	7.2
225.91576	0.2
242.08080	1.3
281.24878	100.0
282.25156	1.1
391.20392	0.2
427.72589	0.3
506.32556	46.9
507.32779	0.5
553.79889	0.2
581.30231	1.4
609.24078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91886	0.6
52.16000	0.6
56.80880	0.6
59.01385	12.9
61.29665	0.6
61.98832	100.0
63.44810	0.7
71.01379	6.0
75.20596	0.7
85.02982	3.1
87.00895	0.7
89.02462	3.3
95.01393	0.7
101.02455	3.9
106.06629	72.3
108.08220	1.5
113.02431	2.5
118.06624	1.3
119.03498	1.1
120.08244	0.8
126.00437	0.8
130.06679	1.1
132.04630	0.8
146.06166	0.8
150.05614	62.6
162.05608	0.9
163.04111	1.1
164.07184	16.5
172.05194	0.8
174.05649	1.0
179.05664	0.7
180.89507	0.6
192.06691	8.5
194.04588	14.4
223.52908	0.8
226.06792	0.7
236.05667	2.6
280.72086	0.7
293.04715	1.5
294.04965	3.0
295.05075	4.7
295.99100	0.7
296.05164	1.4
296.08090	1.0
297.05652	0.9
299.09552	0.8
311.09161	1.1
313.10831	1.3
344.12674	4.4
356.09927	70.1
359.15118	10.5
415.09213	0.9
417.09995	0.9
518.15277	0.9
519.34985	0.8
521.20264	23.2
581.16992	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	580.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98830	100.0
74.20296	0.3
84.40525	0.3
151.00346	0.5
174.06662	0.3
203.10754	0.5
219.12732	0.4
263.16525	0.4
264.16428	0.4
334.07245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	4.5
59.04059	0.9
61.98837	100.0
63.45081	1.1
68.07172	1.1
69.23559	0.9
70.82577	1.1
77.24852	1.0
82.49288	0.9
83.01402	1.2
93.00803	1.0
93.05009	1.2
101.02415	1.0
105.43365	1.2
107.01416	1.2
119.04976	3.6
134.54147	1.1
139.15608	1.1
147.29347	1.0
148.82100	1.0
151.00380	1.9
153.58640	1.1
178.29523	1.1
187.30211	1.3
253.09221	1.8
271.06146	5.1
271.36609	1.3
272.06476	2.4
283.19144	6.2
284.19434	4.3
294.09412	1.1
520.39325	1.5
534.92548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94536	37.9
61.98819	78.4
80.40392	47.3
91.26778	45.1
118.63741	53.9
125.03440	46.1
174.01714	100.0
494.28293	65.9
599.82300	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40495	0.5
56.90717	0.5
58.69324	0.5
59.01383	22.8
61.98845	2.8
63.05653	0.5
63.54837	0.5
65.67147	0.5
67.26072	0.5
69.53645	0.5
71.01368	8.1
71.05043	0.9
73.02953	0.7
74.78212	0.6
83.01402	0.6
83.05059	0.6
85.02948	2.2
89.02440	8.8
95.05032	3.4
97.02966	0.8
97.06590	8.2
101.02443	10.0
111.08139	0.9
112.79465	0.5
113.02437	5.2
113.09769	0.9
119.03518	2.9
135.08144	5.9
139.11290	3.9
141.12852	0.9
154.10042	1.3
161.04570	2.6
165.12863	1.2
167.10764	7.3
167.14406	7.8
168.11555	2.5
183.10237	1.0
185.11838	1.3
191.14476	0.8
193.16032	1.1
221.19142	9.1
247.17058	3.3
251.32533	0.7
253.09319	33.4
265.18106	100.0
269.04816	0.7
283.19174	89.2
284.19592	0.8
289.18130	1.2
579.26031	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57954	1.0
59.01385	5.8
61.98831	100.0
63.90386	0.9
66.97697	1.1
71.01382	4.6
73.02939	1.3
78.95906	1.6
78.98602	2.0
79.95739	2.7
80.96510	25.6
80.98156	1.4
81.95323	4.4
82.96100	16.1
82.96997	1.5
91.00214	1.0
92.81514	1.1
94.98093	6.2
96.97661	2.3
101.02441	1.1
103.74139	1.1
125.02415	1.4
136.98987	1.3
148.66667	1.3
152.98624	1.9
164.98668	1.6
166.98163	1.4
225.00813	1.7
226.01030	1.5
227.00378	5.4
263.85889	1.4
277.21753	8.9
278.22122	11.9
279.22290	9.1
280.22638	5.5
504.30182	1.4
505.30124	4.8
563.07184	1.3
579.27087	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06702	0.4
54.63434	0.4
57.03452	0.5
59.01384	2.5
59.74495	0.4
60.50174	0.5
61.98837	0.6
62.42168	0.4
63.96251	1.1
63.99264	0.5
65.53963	0.4
69.03454	0.6
69.59585	0.4
71.01384	11.0
73.02942	2.3
75.37502	0.4
76.93800	0.5
78.50961	0.5
78.95913	1.0
78.98582	8.4
79.95729	12.3
80.96514	92.4
83.01369	0.5
85.02964	3.9
87.00860	3.8
91.33070	0.5
93.45835	0.5
94.98082	22.8
96.96007	3.7
97.02932	2.4
99.04513	0.5
101.02415	4.5
101.20583	0.4
106.98080	6.0
122.97570	8.3
125.02440	5.4
126.67091	0.5
127.03973	1.2
134.96625	0.6
134.97568	6.8
136.99109	2.7
148.99141	9.1
152.98610	10.5
152.99710	0.7
164.98631	15.6
168.76025	0.6
182.99699	3.4
206.99715	4.5
224.98599	0.9
225.00761	24.6
243.01794	2.4
279.23318	8.0
280.23566	2.5
293.79468	0.5
299.04379	3.2
372.29874	0.6
394.98624	0.5
484.08871	0.6
505.31573	0.8
579.28510	100.0
580.29004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
57.36163	0.2
59.01381	2.9
65.52515	0.2
65.70290	0.2
69.03477	0.3
71.01389	2.7
73.02961	0.5
73.33647	0.2
78.95914	1.4
78.98585	1.6
79.95734	3.0
80.96513	20.3
83.01373	0.3
84.28034	0.2
85.02964	0.5
87.00886	0.9
94.98087	3.9
95.05048	0.3
97.02943	0.3
97.06612	1.1
101.02470	1.0
106.98110	0.9
109.06582	0.3
111.08163	0.5
112.81287	0.2
122.97610	1.8
125.02471	0.4
134.97618	1.1
136.99153	0.5
137.28220	0.3
148.99133	1.7
151.11269	0.8
152.98598	1.8
153.02026	0.3
155.10811	0.2
164.98630	3.8
165.12836	1.1
174.69855	0.2
179.10733	0.3
181.12364	2.0
182.99738	0.5
191.10794	0.4
192.55333	0.2
202.11272	0.2
206.99730	1.2
209.11859	3.5
211.13484	0.3
225.00764	4.9
225.22232	4.1
243.01691	0.3
245.19136	0.5
251.20485	0.3
253.21718	1.8
269.21326	0.6
271.22821	100.0
272.23138	1.3
279.23273	6.8
280.23660	10.7
284.42291	0.3
289.18188	1.0
299.04260	0.3
307.19080	1.7
311.08154	0.3
505.31345	3.4
579.28516	21.3
580.28992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.5
57.03457	6.2
58.00595	1.3
59.01385	50.0
61.65327	1.1
71.01379	39.2
72.99306	1.6
73.02943	16.2
75.36169	1.1
77.31443	1.2
79.93587	1.1
80.76764	1.0
83.01404	9.1
85.02956	29.5
86.00114	2.0
87.00892	2.4
89.02435	13.7
89.63006	1.1
95.01382	4.8
96.96006	46.9
99.00889	5.0
101.02443	39.4
111.00874	1.8
113.02457	14.7
116.92844	1.4
119.03492	1.6
121.02955	2.6
122.03775	1.5
129.01923	2.6
135.04530	1.9
143.03477	1.6
161.04597	2.7
166.06367	74.1
167.07088	5.7
181.08723	75.4
197.98129	1.2
209.61763	1.4
223.06213	2.3
271.38422	1.2
343.14029	100.0
411.15005	1.3
417.17642	7.0
579.23059	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89181	20.3
55.62222	17.9
59.01385	30.5
61.98835	46.8
67.45168	20.8
74.33069	22.4
89.50275	21.4
96.35513	20.6
104.32312	20.9
174.01707	100.0
210.70732	23.7
317.87134	24.5
482.28540	25.9
526.56061	27.3
579.26001	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02266	22.6
54.61362	19.9
58.06517	23.3
61.98849	60.7
63.24539	20.0
75.00867	26.0
75.22792	27.1
83.38242	23.2
90.86896	24.2
134.25987	26.5
145.48656	27.7
161.00246	27.0
174.01677	100.0
177.01881	38.4
183.32990	28.4
579.25378	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34111	0.5
59.01075	0.7
59.01380	21.6
59.59901	0.5
61.98841	1.2
65.88702	0.5
71.01376	6.5
71.05023	0.9
73.02927	1.1
85.02953	1.1
85.26287	0.5
87.00900	0.8
89.02448	8.5
95.05036	2.8
97.02970	1.0
97.06576	10.3
99.06962	0.5
101.02451	8.3
111.08113	0.6
113.02452	3.1
119.03508	3.1
135.08150	7.6
139.11295	4.3
141.12813	0.7
143.03539	0.6
154.10014	2.1
161.04555	3.0
161.66472	0.5
163.11340	0.8
165.12857	2.6
167.10768	9.7
167.14398	7.0
168.11557	0.8
179.05560	0.8
183.10207	0.7
191.14481	1.1
193.15903	1.0
203.17941	0.6
221.19106	11.1
247.16980	3.2
253.09311	33.1
265.18115	100.0
283.19168	87.7
284.19553	0.8
289.18103	3.3
304.92935	0.6
307.19244	1.0
449.66733	0.6
579.26123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48931	0.2
53.60929	0.2
53.78973	0.2
54.89952	0.2
54.97108	0.2
57.03467	0.3
58.78119	0.2
59.01389	15.3
61.68419	0.2
61.98819	0.3
69.03465	0.3
71.01382	4.6
71.01714	0.2
73.02948	0.2
76.56991	0.3
83.01410	0.5
84.02183	0.3
85.02969	1.5
88.98822	1.0
89.02451	4.2
91.30569	0.2
92.10765	0.3
95.01364	0.4
96.96027	1.1
101.02436	2.6
106.72598	0.2
108.02205	1.3
108.43942	0.2
109.02945	0.4
113.02474	2.2
119.03510	1.0
121.02954	5.4
122.03758	3.2
123.04517	0.5
123.38855	0.2
128.03549	0.3
134.03781	0.4
135.04472	0.5
136.01665	73.3
137.02490	2.6
145.06648	0.3
145.52831	0.3
149.02435	0.3
149.06055	0.5
151.04021	100.0
152.04393	0.3
154.02718	0.5
159.04532	0.4
160.05284	1.6
161.04529	1.2
162.03316	0.4
163.03957	1.3
175.07651	1.6
177.05545	0.4
179.05592	1.1
188.04694	0.2
189.05635	0.5
203.07161	0.4
256.07193	0.3
311.12967	0.3
327.12134	0.3
339.12341	0.4
342.11090	4.9
343.21268	0.3
357.13486	72.5
358.13947	0.4
362.79016	0.2
370.62912	0.3
579.20691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08764	0.2
59.01383	100.0
62.64343	0.2
70.52673	0.2
82.80598	0.3
85.02914	0.3
88.54563	0.2
90.53647	0.2
100.67407	0.3
102.94520	0.3
121.02950	1.9
135.04510	0.3
144.48514	0.3
144.52281	0.2
145.02937	0.3
146.04021	0.3
161.74162	0.3
163.03946	0.4
170.21709	0.3
175.00281	0.3
175.04002	3.6
190.06361	0.6
203.07176	0.4
221.06622	0.3
222.05330	2.6
223.07791	0.4
235.07574	0.4
239.07135	1.0
251.07185	1.1
253.08684	1.5
261.05539	0.6
262.99506	0.3
263.07117	1.7
267.06619	1.6
269.08243	3.2
275.07318	0.4
279.06631	2.6
281.08170	6.1
282.09042	0.3
283.09802	0.6
291.06668	1.0
292.07227	0.3
293.08228	1.7
294.09015	2.6
296.10617	1.3
297.04321	0.5
297.07712	13.5
297.11237	1.0
298.11365	0.3
307.09647	0.5
308.07285	0.3
308.10593	1.2
309.07700	22.6
309.11322	5.4
311.09106	0.3
312.10052	13.4
323.09283	3.4
324.10046	15.1
327.12421	44.4
339.12405	38.2
340.12686	0.4
444.28583	0.3
523.14539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29946	0.3
58.69162	0.3
59.01382	100.0
92.10740	0.7
109.03019	0.4
121.02955	2.5
163.04028	1.5
175.04007	4.0
190.06387	1.5
205.95659	0.4
222.05370	2.3
225.05453	0.5
225.09372	0.4
235.07697	0.7
241.05013	0.4
251.07137	0.4
253.08795	1.4
257.37451	0.4
261.05496	0.4
263.07220	2.7
267.06656	0.8
268.07379	0.5
269.08279	3.3
273.05493	0.4
275.07224	0.4
279.06628	2.6
280.07446	0.9
281.08231	4.8
291.06735	2.3
293.08170	2.4
294.08899	3.1
295.09616	0.4
297.07721	15.5
297.11011	1.1
306.08661	0.4
307.09793	0.5
308.10587	1.8
309.07724	18.7
309.11353	4.6
311.09021	0.5
312.07281	0.5
312.10098	13.0
323.09280	2.4
324.10080	16.1
327.12418	46.4
339.12411	41.4
357.13406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.9
58.00605	1.0
59.01384	83.6
61.98834	4.5
71.01382	32.4
73.02937	1.9
82.95410	1.0
83.01406	1.5
85.02941	8.1
87.00874	1.8
89.02441	31.8
92.10134	1.0
95.01350	1.1
99.92602	1.0
101.02425	14.2
102.51109	0.9
108.02202	6.1
109.02956	0.9
113.02456	11.2
116.92871	17.1
119.03488	11.9
119.04998	1.6
121.02922	7.7
122.03767	1.7
123.04494	5.4
131.03542	1.2
134.03720	1.0
136.01659	64.3
137.02443	4.6
143.03461	1.2
151.04013	93.8
157.92412	1.0
159.04517	1.4
160.05327	1.9
161.04562	4.1
163.04010	5.4
175.04027	1.5
175.07584	1.8
177.05510	1.2
179.05627	13.3
187.04012	1.4
188.04793	1.8
193.05054	1.1
203.07175	5.2
263.07095	1.2
265.05386	1.0
279.06683	4.8
281.08176	1.7
291.06586	1.2
294.08990	2.2
297.92953	1.1
308.10657	1.7
309.07617	4.8
309.11377	8.7
324.09979	4.7
339.12534	17.4
342.11188	17.5
357.13495	100.0
501.17743	6.4
536.56433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92387	0.9
54.83144	1.0
59.01386	33.3
65.00324	2.2
71.01378	4.3
73.02954	1.3
81.03429	1.2
85.02953	5.5
89.02437	1.5
91.42090	1.1
91.93679	1.0
93.03455	16.2
101.02473	1.2
103.01890	2.5
104.30716	1.0
105.03577	1.1
107.01410	2.5
109.02940	1.2
119.05024	100.0
121.03011	1.6
123.04572	1.3
125.02432	5.5
126.90397	14.8
127.99617	1.1
131.01393	32.8
135.00903	4.0
136.01654	5.9
137.02441	2.0
143.05159	1.4
145.02945	5.7
149.02444	6.0
151.00378	13.0
151.04062	1.5
161.02457	1.7
163.00342	7.0
164.01141	4.7
165.01984	5.3
175.00374	98.3
176.00801	1.0
177.01927	2.6
185.06041	1.2
187.04034	2.4
189.01964	9.6
190.99797	1.2
193.01437	16.4
201.01988	1.7
203.71870	1.0
205.01408	2.4
217.01413	4.5
219.03123	1.7
223.02293	1.4
269.08221	1.3
271.05951	8.3
277.05017	1.1
283.06128	4.6
284.06882	2.3
295.06140	75.7
312.06464	4.6
313.07248	54.7
313.90378	1.0
325.07162	4.9
337.07227	4.5
343.08221	16.5
415.10620	8.4
433.11185	1.2
459.13080	32.6
579.17310	74.4
580.17841	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	579.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58562	0.1
59.01383	1.3
60.92910	0.2
61.98812	0.2
63.02399	4.2
65.00322	5.8
67.94424	0.2
71.01402	0.7
83.01381	4.9
89.02428	0.3
93.03448	8.0
101.02441	0.4
101.52010	0.2
107.01390	14.0
117.03465	0.2
119.05019	35.0
121.02976	0.4
125.02457	0.3
143.04938	0.2
143.07246	0.2
145.02919	0.4
151.00375	40.4
161.06055	0.3
165.01889	1.7
165.88803	0.2
169.01436	2.4
169.08604	0.2
177.00465	0.3
177.01930	6.0
183.10255	0.2
185.06061	0.4
185.56807	0.2
187.04044	0.9
205.59685	0.2
212.55362	0.2
220.17863	0.3
227.07115	1.0
229.05170	0.4
253.05040	0.2
253.09326	0.9
254.09688	0.3
263.16458	0.2
264.16879	0.4
269.04510	0.3
271.06146	100.0
272.06421	0.9
281.17587	0.9
282.18011	1.5
283.18619	0.8
328.41772	0.2
350.58932	0.2
579.30243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21767	0.7
54.83012	0.7
56.71417	0.9
57.03455	0.8
58.00580	1.0
59.01108	1.5
59.01384	30.0
61.98830	1.0
66.82455	0.8
71.01397	7.1
73.02941	1.1
81.03458	1.1
83.01398	0.7
85.02953	4.5
85.06581	3.3
89.02453	5.4
93.03458	14.3
96.96017	1.2
101.02470	1.6
103.01885	3.8
107.01369	1.4
119.05021	92.1
121.03014	1.5
125.02419	5.6
131.01387	28.8
131.03484	1.0
136.01622	3.7
137.02438	3.4
145.02931	4.1
149.02409	4.0
149.04570	1.0
151.00345	5.4
156.19968	0.8
161.02383	1.0
163.00333	4.0
164.01146	4.0
165.01933	1.8
175.00363	100.0
189.01938	8.9
191.05617	1.7
193.01419	10.6
201.01875	1.9
205.01489	1.2
210.01711	1.3
217.01387	3.9
219.79741	0.9
271.06152	6.2
277.05264	1.0
283.06137	1.3
284.06995	0.9
293.65485	0.9
295.06137	69.1
312.06360	1.3
313.03702	1.5
313.07214	32.7
315.72607	0.8
325.07309	1.7
337.07126	3.4
343.08270	10.7
402.97476	0.9
409.60645	0.8
415.10333	8.0
433.11179	1.1
441.12662	0.8
459.13049	24.7
579.17188	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38027	0.8
61.98832	100.0
83.97266	0.8
92.11861	0.9
231.32774	0.9
279.23178	1.5
280.23657	3.4
281.23965	1.7
286.50699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74103	0.2
53.91895	0.2
54.02101	0.2
54.12432	0.2
59.01381	15.9
64.77090	0.2
72.98328	0.2
75.32834	0.2
78.95898	6.0
86.19382	0.2
137.18240	0.2
152.99599	0.9
156.92471	0.2
168.04285	1.2
178.83365	0.2
224.06949	0.9
242.08051	2.7
261.22253	0.3
279.23312	100.0
280.23608	1.4
504.31018	26.8
579.28827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.3
60.39786	0.3
61.98823	0.3
62.82487	0.2
71.01389	0.7
76.57239	0.3
78.95900	22.9
79.95757	0.6
80.96512	4.2
86.13078	0.3
92.10741	0.4
94.98084	1.4
96.97012	0.5
100.00012	0.3
122.97691	0.3
147.24791	0.3
152.99617	3.6
164.98550	0.6
168.04320	4.0
191.89127	0.3
224.06937	6.8
225.00716	1.1
242.08038	1.7
259.03198	0.3
275.49731	0.3
279.23318	100.0
280.23553	1.6
280.31677	0.3
318.42004	0.3
504.31021	52.5
505.31363	0.7
579.28253	4.4
579.35254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46753	1.5
59.01393	17.2
61.98845	8.2
70.55873	1.7
71.88564	1.7
78.57218	1.5
78.95926	9.8
80.96531	3.8
96.96017	4.0
109.60799	1.7
190.39568	2.0
279.23309	100.0
292.82126	2.1
498.45438	2.1
504.31049	36.6
518.53632	2.0
561.57373	2.2
579.28381	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4244
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
59.01403	1.7
90.07091	0.3
104.20201	0.3
259.20639	0.6
277.21744	100.0
278.22018	1.9
447.90442	0.4
577.42474	44.5
578.43182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	31.9
58.50657	1.2
59.01387	26.7
59.92957	1.2
60.40850	1.3
61.98838	100.0
70.47585	1.8
71.01404	8.1
73.02951	2.1
78.33175	1.1
81.72388	1.2
83.01421	1.7
85.02977	6.1
89.02483	1.6
96.96057	2.2
99.04527	23.5
101.02454	11.5
105.46288	1.5
113.02464	2.8
125.02485	8.3
143.03447	1.8
161.04597	2.6
316.30469	1.6
413.21948	1.9
448.33978	1.5
515.25104	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	577.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
55.03106	0.7
57.03458	1.1
58.00598	0.9
59.01392	43.6
71.01388	32.4
72.99306	1.3
73.02950	6.1
83.01411	1.6
85.02955	11.4
87.00864	1.2
89.02447	23.0
95.01394	1.2
96.96027	1.7
99.00859	0.9
101.02437	14.3
113.02447	10.5
114.91003	0.7
119.03501	7.9
119.05006	1.5
121.02956	1.5
135.04570	1.0
137.02365	1.1
146.03795	1.2
149.02472	3.1
152.01210	0.9
161.04601	8.6
161.35686	0.9
163.03958	1.3
164.04802	11.8
179.05759	5.4
179.07138	100.0
193.01398	1.5
193.04897	0.9
208.03728	6.8
223.06140	12.7
235.08296	1.1
249.18181	0.7
304.83774	1.1
415.16086	20.8
517.15790	1.4
577.21539	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	577.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69358	0.5
55.67381	0.5
59.01376	2.7
63.96254	0.7
69.03448	0.9
71.01375	10.6
73.02950	3.2
78.95905	1.2
78.98581	8.3
79.95731	14.8
80.96512	99.7
85.02939	5.2
87.00888	4.3
94.98077	20.0
96.95995	1.0
97.02927	2.3
99.00914	0.6
101.02443	3.6
106.98069	5.4
122.97584	10.5
125.02449	4.4
134.97577	8.5
136.99083	1.3
148.99141	10.8
152.98636	9.9
164.98625	17.7
167.00162	0.7
175.63669	0.6
182.99654	2.6
206.99770	4.2
225.00752	19.8
243.01772	3.1
277.21704	6.2
278.22134	3.0
299.04437	3.4
502.29303	0.8
503.29739	1.2
577.26953	100.0
578.27496	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	577.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06647	0.4
59.01365	1.7
63.25241	0.4
63.96252	0.5
69.03468	0.7
71.01376	9.1
73.02950	2.8
76.57529	0.6
78.98584	6.8
79.95724	11.9
80.96511	81.9
81.03424	0.6
85.02933	3.7
87.00865	4.4
94.98081	19.8
94.98674	1.0
95.01373	0.7
97.02954	2.5
101.02435	3.2
106.98078	5.1
122.97578	8.0
125.02437	4.0
134.97588	5.7
136.99109	1.2
148.78671	0.6
148.99133	7.3
152.98627	11.8
164.98627	12.5
182.99681	3.1
187.48117	0.6
195.58035	0.5
206.99696	4.8
224.98599	0.9
225.00768	21.5
238.77089	0.6
243.01820	2.0
262.15906	0.5
263.03827	0.5
277.21732	4.6
277.24426	0.5
278.22037	1.1
299.04419	3.4
345.98526	0.5
503.29895	0.7
577.26953	100.0
578.27228	2.9
579.36853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
55.03106	0.7
57.03458	1.1
58.00598	0.9
59.01392	43.6
71.01388	32.4
72.99306	1.3
73.02950	6.1
83.01411	1.6
85.02955	11.4
87.00864	1.2
89.02447	23.0
95.01394	1.2
96.96027	1.7
99.00859	0.9
101.02437	14.3
113.02447	10.5
114.91003	0.7
119.03501	7.9
119.05006	1.5
121.02956	1.5
135.04570	1.0
137.02365	1.1
146.03795	1.2
149.02472	3.1
152.01210	0.9
161.04601	8.6
161.35686	0.9
163.03958	1.3
164.04802	11.8
179.05759	5.4
179.07138	100.0
193.01398	1.5
193.04897	0.9
208.03728	6.8
223.06140	12.7
235.08296	1.1
249.18181	0.7
304.83774	1.1
415.16086	20.8
517.15790	1.4
577.21539	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	577.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.5
59.01381	12.1
61.98851	0.7
71.01374	8.4
73.02951	1.4
75.61107	0.6
85.02955	3.6
88.62823	0.6
89.02448	6.5
93.03463	1.2
95.51883	0.7
96.96037	1.4
99.00893	0.8
101.02458	3.9
109.02977	1.0
113.02480	3.0
113.67020	0.6
116.92880	0.7
119.03533	1.2
121.02939	4.9
123.04540	0.9
125.02454	3.9
128.18192	0.6
130.08736	0.9
134.03757	4.4
135.04549	5.1
137.02477	1.1
146.03723	1.4
149.02448	24.1
151.04002	1.0
152.01167	9.2
161.04570	0.9
163.03983	7.8
164.04808	24.3
165.01945	2.6
167.03479	2.5
169.05103	3.6
179.05711	1.4
179.07153	16.9
193.01439	25.4
193.05075	0.9
205.05070	0.9
208.02190	1.0
208.03792	54.7
223.06149	100.0
224.06450	1.1
289.07169	0.9
335.89590	0.7
355.10229	0.7
407.07739	1.3
415.16394	0.8
517.15637	20.8
577.21692	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	577.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.7
59.01384	100.0
61.98845	1.3
64.35001	1.0
67.36284	0.9
71.01382	4.6
72.56534	1.0
79.48824	0.9
85.02944	1.2
89.02486	1.7
96.96003	22.0
99.04540	1.0
101.02463	1.5
110.58635	1.0
113.02444	1.3
113.85996	1.0
145.02951	1.1
165.01837	1.1
177.05429	1.6
217.67986	1.1
223.07635	1.9
235.07729	1.7
237.05600	1.9
251.03555	1.6
251.07152	1.4
253.13385	1.0
259.24838	1.2
266.09503	1.1
267.06714	10.0
267.09412	1.3
279.06653	27.8
283.10641	1.2
286.22397	1.1
291.06671	15.8
292.07407	2.1
293.04706	2.0
294.09021	5.3
295.06113	31.3
305.08099	1.1
306.09052	13.6
307.06201	41.7
307.09512	1.9
309.47458	1.2
310.08521	27.6
321.07718	7.0
322.08551	21.6
325.10864	63.9
326.11011	1.2
337.10889	80.0
526.13135	1.2
577.15723	1.5
577.25110	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	577.1568
Annotation	Vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
52.43947	0.3
53.17349	0.4
53.47448	0.4
54.82456	0.4
56.26562	0.4
59.01390	9.4
68.94975	0.4
71.01396	0.7
73.02947	0.5
77.62416	0.5
94.77638	0.5
117.03467	13.5
131.01382	2.2
161.02466	1.8
163.04007	2.0
173.02437	7.8
175.00383	9.8
185.02440	0.5
237.05608	0.5
249.05602	1.0
265.05188	0.5
269.04550	2.0
281.04630	1.7
282.05301	0.7
283.06155	5.6
293.04596	100.0
294.05035	0.7
295.06168	0.7
311.05655	9.7
314.04300	0.6
323.05722	0.9
335.05679	1.1
341.06427	0.4
352.45743	0.5
413.08829	32.9
414.09445	1.6
457.11319	2.3
577.15704	16.7
583.30750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1571
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
53.86105	0.7
57.03428	0.7
59.01384	16.4
61.98843	1.8
71.01373	5.9
73.02969	1.1
85.02963	3.6
89.02451	2.0
93.03432	1.6
96.96034	1.6
101.02465	1.7
101.13646	0.9
113.02444	1.2
117.03439	17.1
119.03477	0.8
121.03012	0.8
123.37930	0.8
124.07617	0.8
132.82159	0.9
135.04524	0.9
141.33882	0.8
144.77530	0.9
149.02425	1.0
159.04439	0.9
161.02444	3.5
163.00439	1.1
163.03996	1.7
173.02448	7.6
175.00351	10.4
178.57608	0.9
203.03598	1.0
224.27658	1.0
249.05576	1.0
269.04675	7.9
281.04526	5.7
282.05344	1.3
283.06131	24.9
293.04599	100.0
294.05154	1.3
311.05652	35.4
314.04297	1.8
316.38745	0.9
323.05786	1.1
335.05756	1.8
341.06689	1.7
401.03995	0.9
413.08865	19.2
450.17279	0.9
457.11459	5.5
577.06494	1.2
577.15649	36.9
577.23712	2.2
581.94684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1357
Annotation	PROCYANIDINB2
Peak:m/z	Relative Intensity
57.03452	22.2
59.01381	12.6
64.73648	1.2
68.57392	1.6
70.08888	1.3
71.01379	3.7
71.68546	1.2
75.32529	1.4
81.03452	2.3
83.01395	7.8
85.02962	1.8
92.10887	1.5
93.03424	1.5
96.96013	3.3
97.02963	6.3
101.15549	1.3
107.05034	2.9
108.02227	2.1
109.02951	30.8
111.48522	1.4
121.02952	7.1
123.04511	23.9
125.01501	3.4
125.02441	100.0
131.05067	2.5
133.02043	1.6
133.02995	8.6
135.04543	2.4
137.02426	28.4
139.04012	3.0
141.01701	2.1
147.04575	1.9
149.02452	6.6
151.04042	18.7
159.04500	6.5
161.02463	31.9
161.06044	6.4
162.03218	3.1
163.04062	2.3
164.01086	2.9
165.01880	2.1
165.05559	2.4
175.04002	17.1
175.07651	2.0
177.01920	8.2
179.03494	8.5
179.07182	1.5
187.03978	10.5
188.04802	3.6
201.05542	2.4
203.07181	13.0
205.01399	2.4
205.05092	10.4
207.57864	1.7
212.04753	2.1
215.03598	1.6
221.08252	2.6
228.04204	2.8
229.05107	2.5
245.04529	3.0
245.08211	17.9
247.06075	2.1
255.03020	12.9
256.03802	6.7
257.04605	2.7
273.04095	3.3
281.04584	2.4
287.05630	7.8
289.07202	54.6
299.05603	3.2
339.08603	3.5
339.97159	1.6
381.09714	2.3
407.02646	2.8
407.07797	62.0
425.08987	18.7
451.10367	7.7
577.13867	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	575.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	12.0
71.01378	3.1
89.02443	1.2
92.10180	0.9
97.36863	0.7
101.02423	1.6
116.92804	0.9
152.99602	1.1
160.72778	0.8
169.18480	0.7
253.09378	9.2
279.23312	100.0
280.23663	1.4
336.64560	0.8
596.05103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83279	0.1
54.50355	0.1
59.01378	1.0
61.98835	100.0
93.79539	0.1
160.31287	0.1
163.39899	0.2
238.19264	0.1
253.09286	0.2
255.09802	0.2
277.21637	1.4
278.22061	2.2
279.22397	1.5
280.22589	0.7
290.45474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95637	0.1
51.35809	0.1
59.01392	0.9
61.98840	100.0
71.01385	0.2
93.69389	0.1
97.08485	0.1
132.47641	0.1
160.73933	0.1
215.60898	0.1
244.78986	0.2
277.21796	1.6
278.22046	2.7
279.22406	1.5
280.22787	0.3
285.50372	0.2
310.28424	0.2
333.54941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39800	0.2
59.01385	20.0
70.55750	0.2
71.01411	0.3
72.67795	0.2
76.10763	0.2
78.95907	8.1
80.96521	2.0
84.47378	0.2
92.65662	0.2
126.91344	0.3
127.07560	0.3
152.99646	1.7
168.04314	1.5
171.30347	0.3
216.57475	0.3
224.06909	1.3
225.00824	0.3
233.22861	0.5
242.08014	3.1
259.20642	0.4
275.20233	0.5
277.21735	100.0
278.22098	1.6
416.83209	0.3
502.29449	30.3
503.29712	0.4
577.27008	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	575.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13017	0.2
59.01382	13.3
61.98838	1.2
71.01376	2.8
73.02936	0.5
83.01405	0.3
85.02953	0.4
87.00886	0.4
89.02438	2.6
92.10825	0.4
92.65336	0.2
95.01354	0.2
101.02423	2.7
113.02424	1.5
119.03490	0.3
125.85328	0.2
143.03485	0.3
161.04564	1.1
235.08150	1.0
244.43184	0.2
253.09331	10.0
261.21991	0.3
279.23312	100.0
280.23642	2.3
530.40466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82273	15.3
57.46767	14.1
59.01388	95.7
61.98841	100.0
87.93784	15.5
100.35164	15.5
114.37816	16.3
124.44432	15.8
149.06078	76.7
159.84731	18.4
166.06339	26.7
181.08698	16.8
209.08183	95.7
271.06400	18.4
509.21680	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
59.01390	18.0
59.98479	0.3
61.26291	0.2
62.46602	0.3
71.01389	3.1
73.02979	0.4
75.77998	0.2
85.02969	1.1
85.43694	0.2
88.94255	0.2
89.02459	2.7
101.02441	3.7
113.02483	1.4
116.23307	0.2
119.03505	0.3
133.05135	0.5
149.02487	0.5
161.04552	1.2
162.19125	0.3
177.01892	0.4
184.93417	0.3
191.03482	0.3
202.83669	0.3
235.08266	0.6
253.09323	8.6
279.23315	100.0
280.23627	1.8
537.30774	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	575.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82878	16.0
56.00132	16.1
58.04840	18.0
59.01389	25.2
77.02361	17.0
83.35844	22.5
83.79646	26.5
92.10080	39.4
93.53701	19.9
115.23518	19.9
122.70757	20.9
149.02461	93.4
171.21790	21.2
175.83163	20.8
180.65884	21.1
227.02243	21.1
267.37604	20.6
321.30914	24.6
329.13956	100.0
392.81570	20.7
403.38879	21.3
575.19543	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56251	2.2
52.36416	2.2
55.01895	2.8
57.03466	2.3
59.01394	25.2
61.95984	1.7
61.98845	2.0
61.99476	2.3
71.01399	12.4
71.31238	2.2
73.02950	4.9
83.01376	2.8
83.90764	2.5
85.02995	9.3
88.98804	9.5
89.02460	4.2
96.96002	4.3
99.81906	2.4
101.02460	17.5
108.94652	2.2
113.02457	4.4
121.02962	3.1
122.03739	3.9
133.02931	3.7
135.04434	2.4
140.03990	2.2
147.04453	2.7
149.02470	21.8
150.03233	87.0
156.87718	2.6
164.04791	10.1
165.04259	2.9
165.05568	83.4
181.08688	5.7
195.06607	35.2
197.33920	2.9
224.00508	2.7
278.43353	2.1
314.11700	3.2
329.14175	17.6
343.14130	17.9
377.16110	4.4
491.19348	100.0
500.74725	2.5
539.21411	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91805	0.8
58.99720	0.9
59.01390	7.3
61.98832	29.8
78.26842	0.9
92.10135	1.9
93.03441	1.1
117.03432	13.9
125.02483	4.3
133.02924	4.5
150.03204	1.9
152.69630	1.0
155.05035	6.0
157.02933	2.2
161.02333	1.2
171.04532	1.4
177.01932	35.8
185.02353	1.3
196.05287	3.7
199.03967	2.4
239.03516	1.4
240.04195	8.3
241.04956	2.0
243.02898	2.4
268.03824	6.4
303.06570	1.3
317.07968	1.8
319.06070	1.3
331.06265	3.3
332.06757	2.2
333.07159	1.2
359.05634	9.8
360.06464	26.8
361.07233	86.9
402.74677	1.2
424.34824	1.1
432.57266	1.1
496.32443	1.1
497.28891	4.8
519.52228	1.1
539.09924	100.0
540.10571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.1
61.98837	100.0
67.10198	0.1
67.83709	0.1
138.42531	0.1
150.68811	0.1
163.94429	0.1
178.78143	0.1
209.11790	0.1
497.26569	0.1
509.16687	0.1
522.00598	0.1
523.84070	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	574.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52498	0.4
54.82455	0.6
59.01385	0.6
61.98836	100.0
73.42714	0.4
79.65601	0.5
102.39999	0.5
106.09121	0.4
108.29809	0.5
116.92863	0.7
123.68643	0.5
300.18372	0.5
392.92661	0.5
415.96976	0.6
476.65677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07223	0.3
57.03452	5.5
65.00052	0.4
65.00320	3.2
66.42492	0.4
83.01376	0.9
92.64742	0.5
93.03451	18.2
93.04005	0.9
107.01373	3.3
117.03461	50.5
125.02441	33.1
127.05538	1.0
135.04518	3.7
137.02463	0.8
151.00383	8.7
155.05057	1.0
157.06601	3.8
158.03760	0.5
159.04529	17.4
161.02440	8.2
161.45500	0.4
177.02003	0.6
179.05002	5.5
181.06602	45.1
183.04509	9.6
193.06551	0.9
203.03513	6.6
205.02959	0.6
205.06572	1.1
207.04550	13.2
211.07751	0.8
223.04037	13.2
223.07478	3.3
225.05597	100.0
226.05859	0.6
247.03992	2.9
249.05597	24.0
251.03519	88.7
252.03880	0.7
265.05002	2.1
267.06638	29.6
269.04333	0.4
275.03531	15.5
277.01318	0.6
287.07019	0.5
289.08731	0.7
291.03268	0.5
293.04599	49.8
294.05157	0.6
301.08719	4.3
319.02536	13.4
319.09802	1.1
333.07751	2.8
335.05844	0.5
343.09741	0.5
364.12122	0.5
369.07733	0.8
377.06833	0.7
387.08777	65.3
388.09409	0.6
403.84164	0.4
413.06693	73.3
414.07083	0.9
448.33026	0.5
502.45761	0.5
539.09894	97.3
540.10419	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	573.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44743	0.7
59.01383	3.3
74.96028	0.7
75.63241	0.7
83.42824	0.9
95.05038	5.0
95.56330	0.9
107.03767	2.0
116.92879	5.3
118.06612	1.8
119.05053	1.0
122.06110	25.1
123.06892	3.5
124.07653	1.1
134.06091	1.1
136.07669	8.7
137.78511	0.8
138.05589	1.0
138.09305	0.9
146.06125	20.3
159.54807	0.8
179.05873	4.1
190.07483	3.3
196.07663	1.5
199.08919	1.1
212.10849	12.5
213.10289	7.0
215.08411	0.9
216.05455	1.0
217.22842	1.0
225.06709	1.2
226.07503	12.5
226.12398	16.3
227.08270	81.3
227.11952	4.3
230.10680	6.1
239.08275	4.0
240.09053	9.5
241.09840	100.0
242.10603	21.3
243.11388	5.7
244.12096	4.2
253.09796	1.7
254.10721	5.5
255.11398	52.8
258.13666	5.9
259.14520	63.1
269.12979	64.0
270.13751	5.9
271.06290	1.1
299.10330	1.3
302.12674	1.5
313.11978	36.1
314.12750	38.9
315.13644	1.1
334.03845	1.0
346.11792	3.7
350.15097	1.1
364.16721	1.3
394.21545	1.3
437.19601	3.5
438.20322	3.3
529.28601	1.1
573.27264	75.8
574.27661	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	573.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	2.7
61.98835	16.3
92.10699	2.5
95.05035	2.2
96.36402	2.1
107.03760	2.7
118.06613	2.5
119.05019	11.4
122.06103	27.2
124.07737	2.1
136.07677	8.5
138.09198	2.8
146.06175	21.2
147.04477	7.3
151.00378	4.2
163.00423	4.4
179.05832	2.2
192.22066	2.1
197.12839	2.3
207.06618	2.2
212.10895	17.6
213.10349	8.8
226.07559	17.1
226.12346	21.0
227.08273	80.3
227.11775	2.9
230.10663	3.7
239.08318	3.5
240.08957	10.0
241.09837	100.0
242.10492	17.5
254.10638	7.1
255.11403	69.3
258.05368	6.9
258.13757	4.3
259.14532	60.2
269.12930	66.0
270.13599	9.1
271.06226	3.2
283.06104	4.1
311.93051	2.5
313.11935	27.8
314.12741	36.8
482.22058	2.2
573.17957	14.9
573.27087	77.6
574.27356	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31538	0.3
55.31889	0.3
59.01389	0.4
61.98828	0.6
72.62169	0.3
75.13232	0.3
90.25271	0.3
94.06673	0.4
95.05022	1.9
102.50169	0.3
104.49683	0.3
107.03777	0.9
108.04604	0.4
116.34454	0.4
118.06625	2.2
119.05113	0.4
120.04572	0.4
122.06123	12.1
123.06908	1.4
124.07668	0.8
134.06123	0.5
136.07671	4.0
138.09215	0.7
146.06131	13.6
147.06929	1.6
148.07701	0.7
151.00357	0.5
157.06583	0.7
159.04492	1.6
168.29523	0.3
179.05925	2.4
190.07474	1.7
196.07741	2.5
197.08481	1.8
198.07841	0.7
198.09337	1.5
199.08803	2.0
200.58470	0.4
201.05461	0.5
210.09299	0.5
211.10240	0.4
212.05959	0.7
212.10861	16.1
213.10374	6.5
215.08171	0.4
216.05412	1.7
216.14040	0.4
224.10849	0.5
225.06801	0.8
225.10347	0.5
226.05246	0.5
226.07506	16.1
226.12410	18.2
227.08284	79.8
227.11949	4.0
228.08685	1.4
230.10704	1.9
239.08234	3.0
240.09044	7.0
241.09842	100.0
242.10623	22.8
243.11281	1.7
244.12051	0.8
253.09756	0.8
254.10609	3.9
255.11414	63.3
256.11942	0.8
258.13727	2.1
259.14523	20.3
267.11453	1.6
268.12274	0.7
269.12973	50.3
270.13760	7.7
271.14572	1.7
286.09610	0.5
295.10953	0.9
299.10300	0.8
300.11075	0.5
302.12808	1.7
313.11993	22.7
314.12769	36.8
315.13394	2.6
346.11581	0.7
350.15186	0.6
364.16788	1.9
378.18423	1.9
394.21375	0.8
398.99777	0.4
408.15582	1.3
436.18591	0.6
437.19836	3.5
438.20456	4.1
529.28088	0.8
555.80371	0.4
573.27277	77.5
574.27966	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	573.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46444	0.8
59.01402	7.5
60.84299	0.8
61.98833	1.2
71.01397	1.4
79.93230	0.8
88.98801	0.9
89.02458	1.1
92.10246	1.1
93.03508	3.2
96.94584	1.0
101.02435	0.9
113.02448	1.1
114.46057	0.9
120.89481	0.9
121.02933	9.8
122.03728	13.8
124.80176	1.1
133.02934	1.7
135.04601	1.0
136.01639	1.5
144.95187	1.0
149.02441	30.1
150.03227	100.0
164.04811	6.8
165.05566	85.7
166.06352	15.3
179.07211	1.4
180.04274	6.1
181.08725	7.3
186.18063	0.9
195.06639	44.6
217.03801	1.0
313.10870	1.2
314.11420	1.3
321.76907	1.0
329.14105	4.8
343.11798	6.0
357.10880	1.0
377.15964	1.4
421.70636	0.9
525.21240	5.9
600.57227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46870	0.8
54.82019	0.8
57.05269	0.8
59.01377	1.4
61.98828	1.6
69.88463	1.0
72.26084	1.0
74.02476	1.4
76.89510	0.9
82.03001	2.1
84.04572	4.7
86.02482	11.4
87.20569	0.9
92.08766	1.0
119.05083	0.9
120.01249	10.4
127.05158	3.7
127.08756	15.3
128.03542	100.0
143.82182	1.0
151.00351	1.5
151.99741	1.0
153.06729	5.3
160.26134	0.9
171.07761	33.0
209.11873	1.4
227.08257	2.1
231.04453	5.4
241.09888	1.8
249.05527	47.9
255.11298	1.3
269.13144	1.5
271.06189	3.9
284.54184	0.9
471.10196	0.9
510.54553	1.0
573.26868	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36903	2.5
59.01383	26.4
71.01392	6.8
71.89021	3.3
72.15637	2.9
76.47520	2.8
81.04514	3.0
84.56096	2.7
85.02918	3.6
89.02444	5.4
94.25026	2.8
96.96024	15.7
99.00868	4.5
109.02962	13.5
113.99590	28.2
116.92854	3.8
136.01666	6.6
139.49925	3.4
148.05290	4.7
151.04044	3.6
156.00645	29.0
162.06844	6.5
174.01712	14.4
182.26373	3.1
191.07170	4.0
267.06689	32.3
269.27979	3.9
272.95514	3.8
282.09122	27.1
296.09018	3.7
297.08105	6.5
297.11337	87.9
301.32239	3.6
312.09924	6.5
327.12384	37.8
345.13406	28.0
357.13696	4.0
375.14542	100.0
462.86404	3.4
513.16162	13.7
573.17804	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	573.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46444	0.8
59.01402	7.5
60.84299	0.8
61.98833	1.2
71.01397	1.4
79.93230	0.8
88.98801	0.9
89.02458	1.1
92.10246	1.1
93.03508	3.2
96.94584	1.0
101.02435	0.9
113.02448	1.1
114.46057	0.9
120.89481	0.9
121.02933	9.8
122.03728	13.8
124.80176	1.1
133.02934	1.7
135.04601	1.0
136.01639	1.5
144.95187	1.0
149.02441	30.1
150.03227	100.0
164.04811	6.8
165.05566	85.7
166.06352	15.3
179.07211	1.4
180.04274	6.1
181.08725	7.3
186.18063	0.9
195.06639	44.6
217.03801	1.0
313.10870	1.2
314.11420	1.3
321.76907	1.0
329.14105	4.8
343.11798	6.0
357.10880	1.0
377.15964	1.4
421.70636	0.9
525.21240	5.9
600.57227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
61.98832	100.0
74.12654	0.5
89.11548	0.5
113.83945	0.5
147.13799	0.6
155.29108	0.5
155.90273	0.5
306.82059	0.6
307.54800	0.6
332.15131	0.5
384.07291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	17.8
61.98838	11.3
72.79345	1.6
74.02470	25.9
78.17880	1.8
79.11383	1.9
80.51494	1.8
81.04549	2.3
82.02985	2.8
86.02492	12.8
86.42578	1.8
87.05653	3.7
97.04086	4.2
99.05638	28.4
100.00445	2.5
100.04046	2.3
101.07207	5.0
102.05593	9.0
109.04059	2.2
113.07201	2.2
125.03545	3.4
127.05056	2.2
128.03523	76.5
135.05637	9.5
143.04623	100.0
144.06154	4.0
146.04619	3.2
147.12085	2.1
153.06618	2.4
166.09895	3.0
167.04636	4.1
167.08316	4.9
179.04568	19.0
181.06198	2.5
197.05788	2.6
210.08870	13.7
228.09938	2.3
240.24234	2.1
254.07828	35.0
272.06097	3.2
272.08914	69.7
299.16876	10.3
325.90518	2.7
333.93402	2.0
443.22595	2.6
518.99243	2.3
554.25861	4.3
572.26538	48.9
586.95319	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	572.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65879	0.2
54.82751	0.2
55.51339	0.2
60.67101	0.2
61.98833	100.0
92.10133	0.4
92.72101	0.2
93.80425	0.2
121.13394	0.3
194.63065	0.3
252.90372	0.2
253.21736	0.3
297.59021	0.3
524.09222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.4
63.38517	1.5
66.10037	1.5
71.01412	2.2
71.50493	1.5
73.98708	1.3
87.70345	1.5
89.02484	5.9
91.07118	1.5
92.10159	2.6
95.84429	1.5
101.02454	2.3
113.02473	2.3
231.21254	3.3
253.09367	13.3
265.17838	2.4
275.20187	100.0
448.87051	1.9
469.92154	1.6
483.27655	1.7
571.38922	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	571.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93768	0.6
58.36673	0.5
59.01387	34.4
59.93741	0.5
71.30249	0.5
82.44913	0.6
82.95441	0.7
88.98840	1.0
93.03446	1.0
96.96035	0.8
102.51102	0.5
119.05028	100.0
121.02965	1.2
122.03716	0.9
135.04559	1.1
139.03943	2.0
142.06638	14.3
145.48727	0.6
149.00687	0.7
149.02458	40.3
150.03239	25.0
153.05598	5.5
163.04016	69.9
164.04808	9.3
165.05583	31.5
180.04233	2.0
186.05629	3.0
195.06647	16.3
216.07758	0.6
245.00810	0.6
257.08328	0.8
286.08514	17.6
301.10861	54.0
325.09384	7.1
349.12946	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77703	0.2
59.01386	17.4
60.99303	0.3
61.98833	0.3
71.01384	0.3
72.70037	0.2
82.95425	1.1
83.44685	0.3
85.44569	0.3
88.98815	1.7
92.10705	0.5
93.03464	1.1
96.96012	1.4
119.05025	100.0
120.05355	0.4
121.02938	1.7
122.03754	0.6
132.62364	0.3
135.04549	2.4
138.03203	0.4
139.03989	0.4
142.06639	11.6
149.01242	0.6
149.02449	17.2
150.03238	13.9
150.04500	0.3
153.05501	2.3
163.04028	72.8
164.04808	3.9
165.05585	18.6
180.04276	0.6
186.05650	2.2
195.06656	10.6
195.08459	0.3
286.08524	8.2
287.08942	0.3
301.10861	23.9
325.09338	8.4
349.12964	11.4
361.13092	0.4
426.31674	0.3
571.20502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2896
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
56.24210	1.3
61.47879	1.2
61.98836	2.9
71.01376	1.4
78.95909	67.7
81.06368	1.2
93.91258	1.4
96.96954	15.8
145.98508	1.3
152.98360	2.4
152.99603	64.8
223.00063	2.2
240.99008	2.2
241.01236	34.0
255.23325	93.5
272.25198	1.5
278.87756	1.8
315.04968	6.9
391.22696	2.6
486.86487	1.4
571.28967	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	571.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.6
61.98846	1.6
78.95901	67.7
93.04852	1.3
96.96957	16.5
122.86120	1.2
152.99591	88.2
171.00606	1.6
172.48985	1.2
223.00108	6.8
241.01196	27.1
255.23309	100.0
259.02423	1.3
315.04764	10.0
402.50626	1.3
402.56128	1.2
415.59183	1.3
491.10089	1.3
571.28992	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10999	2.6
67.68694	2.6
83.05082	3.1
130.88316	3.1
153.12927	5.2
161.15372	3.3
181.12300	3.3
276.31680	3.4
277.21777	34.0
291.19730	48.1
309.20776	100.0
309.24173	4.0
477.77530	3.0
551.41333	4.8
588.17383	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	570.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83047	0.8
56.08873	0.7
57.03467	1.0
57.42263	0.7
58.02980	16.3
61.98832	14.2
63.99256	0.8
66.74322	0.7
67.03030	0.9
68.07842	0.7
72.97544	4.5
74.00703	0.8
74.02465	29.8
74.02850	1.4
81.04575	1.9
82.02995	4.2
84.04575	1.6
86.02481	11.8
86.06098	1.5
87.05633	7.5
92.10796	1.8
97.04067	3.8
99.05637	31.4
100.00415	1.6
101.07189	4.0
102.05596	5.6
107.06163	1.9
109.04073	5.1
109.07728	3.4
111.05637	1.9
112.04038	4.6
113.03585	1.5
113.04317	1.7
123.05618	3.6
125.03560	4.2
127.05152	6.1
128.03531	78.5
135.05612	11.3
141.06686	4.0
143.04628	100.0
145.06200	3.2
146.04576	10.2
149.07220	1.2
153.06694	5.6
155.08286	1.0
165.05371	0.9
166.09818	5.7
167.04613	1.6
167.08244	5.7
170.03355	1.5
171.04108	1.8
175.10983	0.8
179.04648	18.6
181.06178	4.0
185.05687	1.7
192.07811	4.1
197.05716	1.5
210.08878	18.4
228.08020	2.5
228.10104	1.2
254.07829	35.4
263.16443	4.8
272.08914	71.4
297.15396	6.6
304.06079	1.2
441.20779	3.2
552.24017	5.4
570.24908	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85422	0.3
59.01366	0.3
61.98832	100.0
65.05627	0.3
80.20956	0.3
80.78979	0.4
112.41178	0.3
117.03477	0.5
133.02957	12.9
134.03741	3.6
135.04524	9.1
137.02405	1.9
161.02446	64.6
178.02641	0.4
179.03491	2.8
217.44560	0.4
225.22203	0.8
271.22818	5.3
271.48550	0.4
277.56403	0.3
345.20798	0.6
347.25958	4.6
397.07590	0.5
415.24966	26.8
416.25693	0.5
433.26010	6.3
507.29684	59.2
508.30292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68798	1.5
61.98834	100.0
62.12226	1.6
62.21085	1.4
77.71391	1.6
103.33585	1.8
107.71989	1.5
111.28696	1.4
116.69341	1.8
128.91144	1.7
133.02931	16.1
134.03670	2.2
135.04532	9.9
137.69104	1.6
141.26076	1.4
147.49211	1.6
161.01100	2.4
161.02446	67.4
179.03421	2.0
195.00800	1.7
271.22702	2.7
347.26083	6.8
415.24893	27.5
423.01019	2.2
433.25912	6.7
433.68204	1.7
507.29715	65.8
507.37204	2.1
592.43738	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	571.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36596	1.5
59.01376	12.0
61.98833	22.6
63.55648	1.4
65.00323	3.7
76.28293	1.6
77.71487	1.5
77.91045	1.5
79.88275	1.9
83.01394	2.9
93.03469	8.0
93.41612	1.9
99.00874	1.9
100.23553	1.8
107.01409	7.2
116.92883	3.1
119.05023	6.7
121.03004	2.6
137.02423	3.5
141.01938	7.5
149.02408	2.4
149.06036	2.0
151.00394	16.3
151.04042	3.0
155.05025	4.1
155.59425	1.8
157.02937	8.7
162.03355	2.5
165.05600	2.5
173.06104	1.9
177.05508	1.9
190.86391	1.9
219.03027	11.7
231.03595	2.1
253.05132	2.6
253.09795	2.6
268.12216	2.7
271.06024	2.4
281.04364	2.8
283.05884	2.1
298.14774	1.6
305.04773	1.9
307.06219	36.2
308.02927	1.9
309.04083	100.0
325.07214	8.0
333.04019	8.4
349.07141	16.5
351.05212	25.5
375.05032	4.2
393.06219	14.1
419.03906	6.9
433.05569	3.8
449.04990	7.7
482.19897	2.1
547.12115	2.3
553.07874	3.5
557.56293	2.2
571.09106	20.6
571.25220	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	569.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77954	1.7
51.04522	2.1
52.78207	1.8
52.82231	2.3
59.01381	57.4
61.98845	2.8
66.24264	2.1
72.03345	2.2
81.03438	2.4
82.69803	2.2
83.05029	5.7
85.76022	2.0
97.02927	2.8
97.72034	2.1
100.50826	2.3
108.26532	2.6
109.06604	20.0
125.09721	4.1
135.08130	4.9
153.63737	2.7
163.11305	24.0
165.12802	3.6
171.10251	5.0
185.11798	4.5
203.22597	2.2
207.10278	35.4
209.11841	100.0
225.11333	18.8
227.12828	13.0
281.13821	3.8
299.15057	3.6
325.50888	2.3
348.19104	2.6
399.22131	3.2
447.24069	3.6
465.24841	5.5
473.25043	17.4
491.26648	15.8
509.27551	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	569.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
67.15302	0.1
71.01373	0.1
73.02931	0.9
75.00890	0.1
99.00898	0.4
99.92587	6.5
113.35867	0.1
114.93400	0.2
116.92861	100.0
117.01940	1.6
117.05598	0.1
117.92828	0.7
153.05623	0.1
165.05646	0.1
177.45216	0.1
180.07852	0.2
225.33714	0.1
361.16644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09237	1.3
58.20093	1.5
59.01387	1.9
61.98841	2.7
71.01394	10.0
78.95909	4.1
78.98586	7.5
79.95750	11.5
80.96516	77.4
81.03463	1.4
82.23987	1.5
82.80775	1.6
82.84377	1.5
85.02958	2.7
85.54334	1.4
86.15585	1.5
87.00851	1.4
89.85655	1.6
90.79567	1.5
92.10827	2.5
94.98087	14.2
122.97597	7.2
134.97574	2.3
138.47108	1.8
148.99130	7.1
152.98637	7.9
152.99680	3.0
154.89771	1.7
164.98596	13.8
185.52490	1.7
206.99666	2.5
225.00797	22.7
243.01981	1.8
267.23334	6.6
269.34506	1.6
299.51953	1.7
308.50180	1.7
308.55060	1.8
567.28540	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	569.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.2
57.03452	5.2
58.00599	2.3
59.01382	100.0
61.98838	7.1
71.01379	47.7
72.99300	2.8
73.02905	1.2
83.01406	2.2
85.02952	12.7
87.00861	2.0
89.02438	64.9
93.03451	4.3
95.01383	1.8
96.96038	1.9
99.04485	2.5
100.31512	1.3
101.02441	30.3
101.38862	1.2
113.02466	19.4
116.92885	1.3
119.03503	23.2
119.05018	4.6
125.02409	2.0
131.03490	1.7
143.03511	6.2
147.04520	9.2
149.04552	1.8
161.04579	6.7
166.06293	2.2
171.10213	2.7
179.05611	23.8
209.11855	10.3
227.12897	2.2
271.13574	1.8
329.17719	1.4
341.10968	4.8
355.74921	1.3
363.39136	1.3
372.83606	1.5
509.19376	1.4
533.26239	2.4
569.23767	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	569.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18934	1.5
56.66248	1.5
57.03456	92.6
59.01386	100.0
61.94273	1.6
61.98836	7.5
62.88157	1.7
71.01394	25.0
74.69326	1.5
75.00883	1.8
76.52161	1.5
81.03505	2.1
83.01405	2.5
85.02970	10.3
86.03107	1.7
87.46748	1.7
88.98817	1.9
89.02444	20.7
92.10753	2.1
93.03438	1.9
95.01394	2.6
96.96009	3.1
99.04527	94.2
101.02453	30.7
113.02444	13.5
119.03504	6.9
121.02926	2.8
125.02439	51.4
136.01668	2.2
143.03531	7.2
151.00426	4.2
153.09193	2.4
161.04567	2.7
165.05594	2.4
179.05672	2.4
193.05092	2.1
209.15448	2.0
246.65979	2.1
271.06161	3.2
346.17337	2.0
348.80365	1.7
363.23523	2.2
371.20773	7.8
389.21777	13.2
431.23047	16.8
471.25983	2.3
489.27170	2.7
533.26080	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01385	99.4
60.54096	1.3
61.98855	1.5
71.01380	27.1
73.02950	5.8
83.01418	5.7
85.02945	10.3
87.00854	1.4
89.02444	21.0
96.96017	5.6
99.04513	61.0
101.02442	35.7
113.02445	13.0
116.92857	2.9
119.03486	5.1
119.05001	1.6
125.02439	27.0
131.07111	2.6
132.55273	1.6
143.03514	6.6
161.04559	5.6
183.01930	1.4
238.16882	1.5
334.79630	1.5
369.18869	1.8
387.20499	13.7
429.21500	14.3
528.01361	1.6
531.24567	84.8
532.24939	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	567.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.6
63.42646	0.2
71.01402	0.3
71.42542	0.2
93.03457	0.6
93.34924	0.2
101.02477	0.3
108.02157	0.3
114.39721	0.3
121.02940	2.8
123.04462	0.4
135.04526	0.6
145.02943	1.6
147.04515	0.5
149.06082	1.0
164.46300	0.3
167.07175	1.8
173.04597	0.3
179.07104	0.6
180.04176	0.4
191.07173	0.4
211.07695	0.6
219.80618	0.3
223.07706	0.4
225.09198	0.3
227.07156	1.4
237.05545	1.3
238.06450	0.4
239.07047	0.3
240.04362	1.4
241.04977	0.9
251.07251	1.1
253.05045	0.5
255.06685	8.7
256.07233	0.6
256.11118	3.3
265.08728	0.6
267.06699	1.4
269.08237	8.1
270.08984	1.1
271.09885	0.4
282.08981	0.6
283.09824	3.5
284.10495	2.9
285.11569	0.3
295.09726	2.5
296.10522	3.7
297.11459	1.6
299.09308	3.7
300.10074	44.7
301.10800	0.3
310.08588	1.8
311.09317	6.6
311.12650	0.4
312.10074	12.8
315.12439	100.0
316.12814	1.4
327.12436	16.9
330.20932	0.4
345.13492	6.0
394.03320	0.3
404.19800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.5
61.98840	0.6
67.96842	0.3
76.57831	0.3
78.95909	5.2
83.15598	0.3
87.54194	0.2
88.98801	0.5
92.10155	0.6
92.24197	0.3
98.30607	0.3
152.99611	1.7
166.13020	0.3
168.04285	1.6
175.25946	0.3
224.06953	0.5
242.08017	2.4
245.04280	0.4
267.23303	100.0
268.23639	1.1
279.23163	0.7
288.64307	0.3
410.84424	0.3
455.86795	0.3
481.26007	0.3
492.31042	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	567.0938
Annotation	Ridiculuflavone D
Peak:m/z	Relative Intensity
54.08060	0.6
55.69620	0.7
58.82960	0.6
61.98833	1.9
66.27065	0.6
89.13679	0.8
93.03455	4.6
107.01392	0.9
117.03462	18.4
124.12248	0.9
151.00386	5.4
152.67664	0.9
158.03859	1.0
159.04524	9.7
161.02481	1.2
179.57759	0.9
203.03410	2.9
262.02661	0.8
289.05109	1.4
292.03885	2.9
306.05270	1.7
307.06528	1.0
317.04498	1.5
318.05276	4.8
322.04837	3.1
331.06076	1.8
333.04059	1.4
334.04773	4.8
337.07370	3.0
346.01016	1.4
346.04877	23.8
361.03384	2.8
361.07245	7.5
362.04263	1.9
363.05399	1.2
375.05084	7.8
389.03317	1.3
390.03885	69.8
391.04501	4.1
405.06216	61.1
413.03036	1.5
414.03925	7.6
416.01657	4.4
417.02548	3.1
429.06104	10.5
431.04202	1.4
432.04776	6.8
447.07236	18.3
473.05225	4.1
527.74622	0.8
552.07281	1.6
567.09399	100.0
568.09741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84577	0.2
54.03840	0.2
58.89645	0.2
59.01391	2.0
61.98831	100.0
62.36189	0.2
71.01375	0.6
76.57863	0.3
78.78677	0.3
85.02940	0.4
89.02453	0.5
95.18991	0.3
96.95985	0.7
115.26926	0.3
136.05376	0.3
180.04286	0.6
191.05467	0.4
254.06264	0.4
272.50800	0.3
272.54279	0.4
283.10928	0.5
284.11316	2.4
293.80127	0.3
322.92181	0.3
327.12808	0.3
328.10156	1.2
343.10275	0.3
344.10693	1.1
401.22522	0.3
403.11444	1.4
404.11841	4.1
432.37610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28828	0.6
56.74036	0.6
66.04694	0.7
73.08085	0.7
78.95903	5.8
92.70760	0.7
152.99585	1.2
168.04250	0.8
169.42131	0.8
204.34918	0.7
224.06839	0.9
224.56480	0.9
242.07722	1.3
281.24890	100.0
349.84351	0.7
506.32596	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	565.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07608	0.2
61.98848	0.2
67.03786	0.2
67.75226	0.2
70.06216	0.2
71.50221	0.2
71.99039	0.2
87.52173	0.3
140.26027	0.2
144.33501	0.2
223.20737	0.5
225.22263	5.8
253.21837	1.8
269.21179	1.1
271.22818	100.0
272.23315	0.5
279.23322	0.3
280.23709	0.3
291.19446	5.4
293.21045	3.0
337.20035	1.5
502.17139	0.2
565.44543	28.0
566.44861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53458	0.6
59.01381	6.7
61.01780	0.8
61.98841	100.0
69.96367	0.8
71.01400	1.7
73.61001	0.6
84.38316	0.7
85.02935	0.9
89.02441	2.9
101.02475	2.9
108.92815	0.6
111.08771	0.6
113.02429	1.2
118.00697	0.7
124.83710	0.7
140.31175	0.7
166.06274	0.7
179.05566	1.2
195.08284	0.6
343.14124	1.4
344.14441	3.0
363.46448	0.7
366.97836	0.7
501.34106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90800	0.2
57.03443	0.2
59.01373	2.4
60.01709	0.2
61.98832	100.0
63.73564	0.2
65.82465	0.2
71.01382	1.2
89.02445	0.5
96.96062	0.2
101.02408	0.4
113.02467	0.2
119.03532	0.2
126.93368	0.2
135.85278	0.2
149.41830	0.2
151.37041	0.2
179.05563	0.3
194.36528	0.2
318.86899	0.2
367.51511	0.2
375.23651	0.2
512.62000	0.2
566.24103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77934	0.9
54.82579	0.8
55.01897	0.9
59.01385	100.0
71.01401	1.5
76.57277	1.2
87.34507	1.2
89.93079	1.0
95.48049	1.1
110.43990	1.2
121.02971	1.9
134.03735	8.5
149.06091	7.8
167.07135	2.3
174.06885	6.4
175.07640	2.6
177.02089	1.4
177.05623	6.4
191.07074	4.4
283.09726	1.6
297.11386	5.1
313.10959	9.8
313.14026	1.4
327.12534	6.5
328.13226	22.3
343.15561	74.2
344.15952	1.5
446.85257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
57.90446	0.3
58.22547	0.3
59.01383	60.5
61.98821	0.3
65.13625	0.4
66.28944	0.3
71.01384	3.7
73.02932	0.4
83.01381	0.4
85.02962	1.6
89.02438	1.7
93.03465	1.8
96.95963	0.5
99.04504	0.7
101.02454	0.6
108.02171	1.5
109.02959	3.9
113.99562	0.4
116.92931	0.5
119.04963	0.3
121.02952	25.6
122.03754	6.5
123.04528	6.8
134.03738	0.4
135.04535	1.9
136.05284	1.9
137.02451	1.6
146.03818	2.7
147.04521	4.5
149.06076	0.8
153.01947	0.4
154.02757	1.8
159.04492	1.7
160.05281	0.8
161.06059	7.8
162.06863	1.5
164.04744	0.5
165.05571	4.6
168.04237	0.5
173.06084	2.1
174.01767	0.7
174.06752	0.7
175.07707	2.7
179.07149	2.1
187.07625	0.6
189.05644	0.5
190.06349	2.1
191.07147	6.3
191.09906	0.4
192.07921	6.1
205.08704	2.8
207.10330	4.8
270.08951	2.4
295.09680	0.8
297.11432	1.8
298.12244	0.7
313.10971	1.1
313.14484	3.8
319.33316	0.4
319.36801	0.4
325.10876	0.8
328.13208	25.9
343.15540	27.2
346.14160	0.9
356.27936	0.4
361.16629	11.7
388.15274	3.1
403.17667	100.0
404.18060	0.9
529.23090	0.7
565.28674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33104	1.0
59.01385	1.2
63.42373	0.9
68.92918	1.1
78.95904	9.7
92.10162	3.3
152.99593	9.5
227.03073	1.3
255.23317	100.0
483.27319	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23339	6.4
59.01395	10.9
61.98845	15.3
67.55995	7.1
78.95913	7.9
82.95441	53.8
83.01460	8.8
84.95135	8.0
92.65413	8.3
96.53230	8.1
96.95994	100.0
120.35492	7.4
151.11281	7.9
179.10846	7.8
186.97559	7.9
232.74631	9.1
324.51352	7.7
424.00903	8.2
472.30515	8.2
565.28094	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	565.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64722	0.3
52.51411	0.3
55.01885	3.5
57.03450	2.1
58.00575	0.3
59.01381	24.8
60.61630	0.3
63.24189	0.3
63.98873	0.3
64.77634	0.3
71.01376	13.6
71.37579	0.3
72.99305	0.5
73.02937	7.3
83.01386	4.9
85.02452	0.5
85.02950	10.4
86.00112	0.6
87.00884	2.0
89.02437	3.7
92.66058	0.4
95.01378	1.6
96.96020	0.7
99.00875	2.6
101.02434	19.7
111.00878	0.7
113.02454	7.0
119.03495	1.3
121.02930	2.0
135.04550	0.5
144.51906	0.3
149.06122	0.4
159.03059	0.6
161.04527	1.3
166.06349	24.9
167.07118	3.0
173.90425	0.4
181.08710	31.5
196.07887	0.3
251.09262	0.6
328.11404	1.0
343.14023	100.0
344.14221	0.5
535.33868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	56.4
60.82765	1.0
61.98845	6.1
67.20013	1.0
71.01395	4.8
75.87507	1.1
76.44988	1.1
78.44096	1.2
82.28307	1.1
82.67720	1.1
85.02952	2.1
91.19413	1.1
101.02416	1.3
105.01910	1.6
109.02972	6.1
116.92800	1.6
123.00917	4.9
124.01620	4.4
134.03671	1.9
136.01666	56.2
137.02443	7.9
144.08038	1.2
149.05977	1.3
151.04016	80.5
160.05312	5.1
161.04565	2.9
161.05952	1.3
165.05574	7.0
175.07666	7.8
176.08374	5.4
191.07152	2.2
204.08014	1.5
225.07855	1.3
271.06125	1.8
282.46793	1.4
295.09604	3.1
310.12192	6.6
325.14493	6.0
325.20047	1.4
328.13257	9.8
343.15540	100.0
374.17557	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	565.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93998	0.3
57.03461	0.5
59.01384	5.7
61.98838	3.2
68.59708	0.3
71.01387	1.9
80.05077	0.9
80.35361	0.4
85.02985	0.9
89.02463	2.0
90.64307	0.4
94.59122	0.3
95.29329	0.3
96.96023	0.6
101.02448	0.9
113.02445	0.6
119.03503	0.4
122.06104	4.5
124.07700	0.8
125.02419	0.4
130.03069	0.4
131.03819	0.5
132.04535	8.5
132.05457	0.4
135.04546	0.4
137.39430	0.4
139.33655	0.3
146.02460	0.6
146.06187	0.4
147.03258	1.9
148.04044	0.6
150.05585	2.4
158.02469	3.7
160.04051	6.6
161.04839	0.7
162.05626	1.8
163.72002	0.3
174.05623	0.6
176.03529	4.9
176.07117	2.6
179.05656	0.5
183.09230	0.7
184.07701	0.6
190.05113	10.5
191.05911	1.5
192.06660	1.7
196.11365	0.6
198.04321	0.7
202.05139	0.5
209.07217	0.8
211.08763	0.8
211.12398	3.0
212.05865	1.5
212.10858	2.2
213.06795	0.4
215.11975	2.9
220.02586	0.7
223.04753	0.4
223.08765	1.7
224.07399	0.7
224.09538	6.7
225.06433	0.7
225.08226	0.7
226.07492	1.7
227.08310	3.1
228.09099	0.4
234.04102	1.7
238.08786	0.8
239.04643	0.6
239.08252	2.1
239.11911	14.7
240.10515	4.6
241.09857	7.9
250.07349	0.5
252.05486	0.9
253.06198	11.7
253.09886	0.8
254.03329	0.6
254.06979	0.8
255.07773	3.3
255.11400	4.1
256.08655	0.8
265.09894	2.6
266.07401	0.7
267.07791	6.2
268.08530	6.8
281.09317	7.2
283.10901	57.2
284.11319	1.4
287.10495	0.6
294.06360	0.5
309.08850	21.8
315.13495	0.7
327.09909	26.3
341.11432	4.6
353.07883	0.8
359.12610	0.8
371.08884	16.8
403.11511	100.0
404.11929	1.6
415.58444	0.4
421.20801	0.6
445.12872	0.5
565.16772	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	565.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	16.5
59.01382	35.6
61.98843	2.9
71.01366	18.6
72.99310	2.5
73.02962	9.6
76.08731	1.5
83.01373	2.9
83.05042	3.5
85.02965	2.6
88.50014	1.6
89.02446	17.6
95.01432	1.8
99.00878	1.8
99.04507	16.1
101.02422	17.5
113.02460	7.3
113.99592	32.2
115.00378	13.8
119.03507	2.1
122.06181	2.5
123.04495	2.5
125.02460	7.9
132.04556	4.2
150.05530	2.2
151.04092	1.9
156.00655	15.5
158.02492	3.2
160.04025	4.0
161.04579	3.9
174.01704	100.0
175.02536	3.1
176.03580	2.9
179.05553	2.2
190.05132	10.3
211.12444	2.8
223.08632	2.0
224.09557	8.3
234.03998	3.3
239.11919	14.2
240.10385	2.6
241.09875	2.9
253.06158	9.2
255.11426	2.5
268.08456	9.0
271.06070	2.6
281.09338	4.0
283.10938	46.7
297.07480	2.3
309.08844	22.2
327.09723	30.5
339.12405	3.1
341.11435	2.3
343.11923	2.7
367.21191	6.9
371.08917	28.6
403.11514	53.3
414.63034	2.1
467.21890	1.9
469.20847	20.2
511.21835	9.2
529.23016	23.6
533.14783	2.2
565.18378	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	565.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55750	0.4
57.03460	0.5
59.01382	5.0
61.98841	0.9
71.01383	2.4
80.05049	0.7
85.02934	0.4
89.02451	1.8
91.20824	0.3
93.03448	0.6
96.96014	0.5
101.02462	0.5
113.02501	0.5
116.05042	0.4
119.03523	0.4
119.05043	2.0
122.06123	4.8
130.03008	0.8
131.03841	0.5
132.04539	8.5
136.05305	1.7
137.06107	0.5
146.02483	0.4
146.06155	0.5
147.03278	2.4
148.04021	0.7
150.05615	1.9
158.02515	5.5
160.04047	5.7
160.66840	0.4
161.04735	0.7
162.05600	2.1
173.04510	0.6
174.05659	0.9
175.00301	0.5
176.03532	4.6
176.07173	1.8
180.04320	4.3
181.05099	0.9
183.09261	0.9
184.07654	0.8
190.05092	16.0
191.05814	0.8
192.06641	0.9
193.01340	0.7
196.11394	0.8
205.75871	0.4
209.07243	0.6
211.12364	3.2
212.05902	0.9
212.10872	1.7
213.06723	0.6
215.11948	3.1
220.02550	0.4
223.08882	2.0
224.07408	0.9
224.09540	6.4
225.06372	0.6
225.08195	0.8
226.07477	0.8
227.08267	2.6
234.04018	0.9
235.05043	0.7
237.10234	0.4
238.08897	1.5
239.08266	1.9
239.11917	15.2
240.10545	4.8
241.09889	5.0
250.07422	1.5
252.05453	0.5
253.06181	12.3
254.07014	1.7
255.07899	2.7
255.11397	3.0
265.06360	0.5
265.09723	2.9
266.08307	0.6
267.07776	5.9
268.08511	6.7
281.09393	5.0
283.10907	45.8
287.10416	1.9
309.08871	12.6
311.41406	0.4
313.07217	2.1
315.13474	1.8
327.09927	25.7
341.11371	6.1
343.10611	4.6
353.07849	0.7
359.12653	2.0
362.33704	0.4
371.08878	11.9
403.11514	100.0
404.11880	0.9
445.11499	0.6
529.63654	0.5
560.38574	0.5
565.16724	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	565.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.5
57.02608	0.6
57.03447	16.0
57.03713	0.8
59.01383	8.2
69.49257	0.6
71.01377	10.4
72.99310	4.7
73.02956	1.7
73.23901	0.6
75.00880	3.5
75.65671	0.6
75.82816	0.6
83.01385	7.8
84.02158	1.1
85.02947	64.3
85.94791	0.7
87.00866	10.7
87.83358	0.8
89.02437	0.8
92.47252	0.9
93.28405	0.6
99.00904	0.7
101.02431	7.6
103.00350	1.2
103.04024	1.0
111.00874	32.1
115.00365	1.6
125.02415	1.7
129.01935	23.9
133.01425	1.6
135.01196	0.9
139.87494	0.7
147.03001	6.5
161.04594	1.0
187.02533	1.0
191.01964	1.1
195.30898	0.8
205.03546	30.0
223.04610	100.0
533.08307	0.9
539.29614	0.7
551.23724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55750	0.4
57.03460	0.5
59.01382	5.0
61.98841	0.9
71.01383	2.4
80.05049	0.7
85.02934	0.4
89.02451	1.8
91.20824	0.3
93.03448	0.6
96.96014	0.5
101.02462	0.5
113.02501	0.5
116.05042	0.4
119.03523	0.4
119.05043	2.0
122.06123	4.8
130.03008	0.8
131.03841	0.5
132.04539	8.5
136.05305	1.7
137.06107	0.5
146.02483	0.4
146.06155	0.5
147.03278	2.4
148.04021	0.7
150.05615	1.9
158.02515	5.5
160.04047	5.7
160.66840	0.4
161.04735	0.7
162.05600	2.1
173.04510	0.6
174.05659	0.9
175.00301	0.5
176.03532	4.6
176.07173	1.8
180.04320	4.3
181.05099	0.9
183.09261	0.9
184.07654	0.8
190.05092	16.0
191.05814	0.8
192.06641	0.9
193.01340	0.7
196.11394	0.8
205.75871	0.4
209.07243	0.6
211.12364	3.2
212.05902	0.9
212.10872	1.7
213.06723	0.6
215.11948	3.1
220.02550	0.4
223.08882	2.0
224.07408	0.9
224.09540	6.4
225.06372	0.6
225.08195	0.8
226.07477	0.8
227.08267	2.6
234.04018	0.9
235.05043	0.7
237.10234	0.4
238.08897	1.5
239.08266	1.9
239.11917	15.2
240.10545	4.8
241.09889	5.0
250.07422	1.5
252.05453	0.5
253.06181	12.3
254.07014	1.7
255.07899	2.7
255.11397	3.0
265.06360	0.5
265.09723	2.9
266.08307	0.6
267.07776	5.9
268.08511	6.7
281.09393	5.0
283.10907	45.8
287.10416	1.9
309.08871	12.6
311.41406	0.4
313.07217	2.1
315.13474	1.8
327.09927	25.7
341.11371	6.1
343.10611	4.6
353.07849	0.7
359.12653	2.0
362.33704	0.4
371.08878	11.9
403.11514	100.0
404.11880	0.9
445.11499	0.6
529.63654	0.5
560.38574	0.5
565.16724	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	565.0483
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
59.01378	1.5
60.80207	0.2
62.96398	0.4
78.95897	100.0
83.80787	0.2
88.39167	0.2
96.96053	1.9
96.96951	37.3
111.02003	10.4
120.96951	2.2
136.93979	0.9
136.96552	0.3
138.98061	2.8
150.97992	3.6
158.92540	19.1
164.03519	0.3
174.97998	1.1
175.11761	0.3
176.93561	0.6
178.95021	0.6
179.15331	0.3
192.99036	1.3
211.00163	4.8
217.07257	0.3
221.27585	0.3
223.00102	0.5
237.94267	0.3
241.01234	6.9
259.02252	0.4
272.95731	4.2
278.95111	0.4
280.02289	1.6
280.94916	0.4
296.92929	0.4
305.01898	1.1
320.97974	2.1
323.02878	40.1
325.57950	0.3
384.98605	3.0
402.99594	1.1
450.38010	0.3
502.22061	0.3
504.95432	1.9
565.04846	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	565.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87249	0.5
55.01888	3.0
57.03455	10.2
57.03722	0.7
59.01384	6.6
71.01382	7.6
72.99299	4.0
73.02955	2.4
75.00878	3.6
78.95901	1.2
83.01386	6.0
84.02190	1.0
85.02950	54.0
87.00892	3.4
99.00919	1.1
101.02436	7.3
111.00887	25.7
115.34579	0.5
125.02434	4.2
129.01938	20.8
143.03558	1.3
147.02997	5.9
161.04570	2.7
162.42860	0.5
168.38158	0.5
187.02515	1.1
205.03561	27.8
223.04620	100.0
224.05072	0.6
405.43158	0.5
553.11908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56765	6.2
56.38697	6.5
56.44143	5.5
57.94335	5.3
63.77373	5.2
66.87230	6.7
67.63936	7.0
70.59082	5.9
76.89424	5.7
78.17306	6.3
79.99887	6.0
85.59888	6.7
86.19882	7.7
86.69891	6.8
115.93639	5.9
123.10830	6.0
127.23601	6.5
128.51408	7.6
135.08311	6.6
150.30943	6.4
163.11206	8.8
171.10191	6.5
191.14479	9.7
245.19168	13.9
255.23329	55.6
289.18118	100.0
307.19128	89.9
324.06998	7.2
325.20288	10.7
542.38544	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	564.331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12239	1.3
56.09517	1.5
61.98842	1.4
73.16995	1.3
78.95910	7.5
91.45991	1.3
103.28591	1.6
109.89820	1.6
166.08107	1.5
174.00734	1.5
245.12910	1.6
245.37589	1.5
262.40234	1.6
279.23291	100.0
327.70813	2.2
378.18851	1.6
434.21500	1.3
504.30988	30.7
506.26163	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	563.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
59.01385	25.7
59.01657	1.8
61.98837	1.4
69.03455	1.7
71.01385	6.3
83.01390	1.4
85.02959	9.1
87.00852	1.4
89.02419	9.2
96.96011	2.1
97.06599	5.8
101.02404	7.5
113.02499	2.1
114.88376	1.2
116.92878	2.3
119.03484	1.5
119.05052	1.5
127.11320	1.6
134.03737	1.1
136.34991	1.1
137.02362	1.6
137.54993	1.1
151.00392	1.3
161.04628	1.3
171.10280	22.0
183.13855	2.1
191.05586	1.9
209.11879	2.5
211.13429	25.1
221.11870	4.8
229.14449	19.0
239.12865	2.2
253.09355	25.1
271.06192	1.3
283.13382	1.7
291.19745	8.0
309.20386	1.3
327.21808	100.0
341.13968	6.5
371.14871	1.5
382.26718	1.1
383.11313	1.2
527.23224	1.8
563.31152	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	563.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	0.8
57.03455	5.2
58.00605	3.0
59.01388	100.0
61.98849	0.9
64.39026	0.7
67.46276	0.7
71.01382	51.4
72.99313	4.5
73.02952	2.7
83.01391	1.2
85.02952	12.1
87.00877	3.3
88.98862	0.7
89.02440	67.1
93.79916	0.7
95.01385	1.8
99.04471	1.1
101.02434	26.1
112.02646	0.6
113.02451	18.9
116.92840	1.5
119.03494	25.8
121.02997	0.7
131.03503	3.0
143.03494	3.9
149.04512	2.4
161.04564	7.4
164.04814	1.3
175.15004	0.8
179.04088	1.2
179.05629	38.2
179.06976	1.3
233.15450	8.9
413.21881	11.5
443.22806	1.2
461.19299	1.0
467.22815	1.0
484.54111	0.8
503.25223	4.2
563.23041	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03444	1.8
58.00596	3.8
59.01382	100.0
59.98572	0.4
61.98825	0.8
71.01378	52.3
72.99315	3.0
73.02938	2.4
83.01382	2.3
85.02950	9.3
87.00856	3.4
89.02437	73.4
95.01387	3.2
96.96015	2.0
97.02946	0.5
101.02440	24.3
102.46953	0.4
113.02453	22.0
113.03254	0.8
119.03490	24.1
125.02453	0.5
131.03467	2.0
143.03522	5.1
149.04565	2.0
150.86449	0.4
161.04572	7.4
163.06039	0.4
173.09991	0.6
175.14897	1.5
179.05617	41.0
181.44038	0.4
203.14516	0.5
203.51736	0.4
205.07301	0.4
233.15486	9.4
245.15468	0.9
287.16614	2.2
297.07761	0.5
353.06458	0.7
365.21594	0.5
413.21909	10.9
419.35947	0.4
425.21805	0.7
443.22858	2.0
467.22943	2.5
503.24869	2.3
563.14313	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	563.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70379	5.8
59.01389	26.1
61.98835	14.9
62.33362	6.4
70.55072	6.2
92.66088	7.4
97.06590	8.0
102.08609	5.9
116.37827	6.4
127.07641	7.7
151.11276	7.8
165.12830	12.1
191.14473	8.2
197.53749	7.9
207.32806	7.8
219.17564	46.3
248.20349	6.6
263.16537	68.8
281.17615	100.0
291.19647	26.8
391.38498	6.9
444.45874	7.8
486.53809	7.1
559.18530	7.6
563.26306	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	563.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06215	11.3
60.88291	12.5
61.98841	100.0
64.03014	12.2
67.92301	13.6
71.51254	11.9
77.54089	11.4
83.08012	13.6
92.10118	30.5
103.22822	12.3
105.36514	13.7
138.98827	14.2
153.49223	12.1
154.81590	14.0
171.10306	27.1
316.25476	14.3
563.26105	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	563.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	13.2
61.98833	17.0
83.05048	9.4
87.41940	1.9
97.02997	2.6
97.06613	3.6
109.06606	16.5
127.61187	2.3
135.08148	3.7
149.96060	2.2
163.11281	19.9
165.12813	12.5
207.10287	46.1
209.11855	100.0
212.10620	4.2
219.17543	5.2
225.11330	20.4
227.12907	11.1
263.08749	2.2
263.16458	22.2
267.19580	10.8
281.17590	88.3
340.00436	2.6
372.29068	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	563.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.86467	1.0
61.98847	1.5
70.84338	1.1
71.01385	32.0
72.99316	1.2
73.02915	1.2
85.02958	6.5
89.02447	45.4
89.12804	1.0
92.10732	2.1
95.01366	1.2
96.95976	2.2
101.02449	12.8
112.99066	1.0
113.02451	14.6
119.03496	18.2
131.03528	1.5
143.03529	1.6
146.73860	1.4
161.04535	4.3
161.05847	1.0
179.05627	47.8
179.07123	4.5
183.14447	1.0
188.84885	1.1
193.82767	1.2
200.78737	1.1
206.89807	1.1
225.26326	1.4
237.07695	2.0
241.89601	0.9
285.72345	1.2
331.61984	1.2
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
59.01384	100.0
61.98845	2.5
75.64924	1.1
77.11462	1.0
78.60059	1.0
79.35593	1.1
89.04365	1.1
92.10724	1.4
98.68077	1.4
109.02969	1.1
113.02502	1.3
121.02947	2.9
121.78339	1.3
132.06384	1.2
151.00336	1.3
155.10793	4.4
159.04521	4.8
169.99503	1.3
171.10265	5.9
185.11755	2.2
237.09297	1.2
253.09041	2.0
265.08688	2.9
271.06107	1.7
272.09442	1.2
281.08218	18.7
293.08215	12.8
296.10532	20.3
308.10510	10.2
309.20767	2.0
311.12936	53.3
323.12881	19.4
327.21735	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	563.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23120	1.7
67.78082	1.9
78.95900	49.2
78.96315	2.4
80.05913	1.6
86.07866	1.6
87.25671	1.8
96.96947	3.4
128.99658	1.9
142.60919	1.7
152.99593	77.1
171.00638	22.7
245.04321	83.4
253.21767	35.5
302.67896	2.3
481.25790	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	563.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
57.03459	1.1
58.00600	1.2
59.01386	85.9
60.99321	6.8
62.58140	0.7
64.77150	0.7
65.02441	1.0
71.01380	25.7
72.99309	44.1
73.02959	1.7
75.00873	8.3
79.58754	0.8
81.79143	0.8
84.04611	0.7
85.02963	1.6
87.00887	7.9
89.02441	100.0
99.00853	5.8
100.28580	0.8
101.02448	1.9
105.01936	1.3
105.70158	0.8
111.00890	0.9
113.02464	1.5
115.00372	15.0
117.01089	1.6
117.01936	46.3
123.04552	1.3
127.94173	0.7
129.01942	4.6
133.01428	29.2
135.03006	9.0
145.01436	12.4
149.04591	1.9
161.00954	5.7
166.03210	0.8
191.05609	1.4
221.03040	19.8
221.06688	3.3
341.10938	3.4
371.09998	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	563.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70248	1.1
57.26709	1.1
59.77084	1.2
61.98841	9.1
63.02423	5.9
65.00337	15.4
70.59103	1.4
71.01405	3.0
83.01395	7.8
89.13300	1.2
93.03445	1.6
107.01385	19.6
107.58212	1.3
115.00379	6.5
119.05044	12.1
135.04558	1.9
136.98824	6.4
151.00385	49.6
169.01500	2.4
188.96970	1.3
197.06210	1.6
225.05534	1.8
241.05118	3.4
263.03177	1.7
269.04568	6.5
415.04102	3.0
420.86270	1.4
443.03961	12.0
477.09500	1.6
478.02005	1.8
563.09662	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	563.141
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
51.09670	0.2
51.68357	0.2
52.21596	0.2
57.03438	0.3
58.90530	0.2
59.01384	14.7
64.36755	0.2
71.01379	7.1
72.99329	0.3
73.02969	0.3
77.03960	0.3
83.01417	0.3
85.02943	0.6
89.02435	6.9
93.03467	0.3
96.95992	0.3
101.02453	0.7
101.81409	0.3
105.03477	0.3
113.02447	0.5
117.03457	14.6
117.04262	0.6
119.03511	0.6
121.02979	0.5
131.01410	2.0
133.02943	0.4
145.03102	0.3
145.64731	0.3
149.02446	0.5
159.04509	0.4
161.02437	2.3
161.52139	0.3
163.00357	0.5
163.04022	1.8
173.02440	7.8
175.00366	9.0
179.05675	1.2
185.02435	0.3
191.03560	0.3
193.06656	0.4
221.06163	0.6
236.85406	0.3
237.05521	0.4
249.05568	1.3
256.09302	0.3
265.05045	0.6
268.03726	0.4
269.04739	2.0
281.04514	2.5
282.05380	0.5
283.06128	13.2
293.04596	100.0
294.04962	2.2
295.06171	1.2
309.04169	0.3
311.05679	18.1
314.04352	0.5
323.05655	2.8
335.05719	0.6
341.06638	3.2
390.67303	0.3
413.08856	19.0
420.36710	0.3
431.09854	1.2
443.10086	1.9
563.14136	38.2
564.14630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53715	0.2
59.01385	0.5
61.98832	100.0
71.01398	0.3
79.30385	0.2
171.50577	0.2
264.16916	0.5
265.17343	0.3
417.92276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	3.4
62.22508	1.4
64.93893	1.3
68.08732	1.4
74.25095	1.7
78.95911	7.4
83.98855	1.3
86.57912	1.5
92.66531	1.4
94.61396	1.4
102.31536	1.3
130.75400	1.5
138.67099	1.5
140.01175	3.2
153.80829	1.5
199.13412	34.2
347.25882	2.9
365.26996	100.0
562.31592	16.7
587.61462	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	562.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46947	1.2
55.25147	1.2
58.60107	1.4
60.48595	1.3
61.98844	2.6
78.95911	10.0
89.13086	1.4
89.94293	1.3
92.10731	3.0
101.68614	1.4
152.99696	2.2
224.20309	1.7
254.29108	1.6
263.06348	1.9
277.21732	100.0
502.29443	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13894	14.3
53.42463	13.8
57.40875	13.8
59.01393	100.0
61.98849	26.7
64.34351	14.4
71.01402	28.8
94.40846	15.6
114.38346	17.7
138.69792	17.7
176.96584	16.7
209.11906	39.2
226.86891	20.2
242.36803	16.5
245.19019	26.3
253.09138	19.0
254.16399	16.8
289.18060	82.9
307.19376	56.6
538.84485	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	561.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.4
61.98829	2.2
66.51491	0.8
68.99553	1.6
71.01382	10.9
71.05035	1.0
73.00823	0.8
73.02941	1.2
78.06032	0.8
80.02684	1.3
81.03457	0.9
83.05037	6.5
84.02163	2.2
85.02943	1.7
89.02438	11.3
91.44342	0.8
92.10851	1.4
95.01390	1.1
95.05040	1.7
97.06554	1.6
99.04517	1.5
99.08105	1.5
101.02435	10.7
109.06579	1.5
112.98538	1.3
113.02440	3.7
115.07648	1.4
119.03516	1.3
125.02440	1.5
125.06046	1.1
125.09710	7.1
127.07664	8.9
135.08154	3.6
137.09660	1.2
139.07677	1.7
141.09190	1.7
143.03517	1.0
153.09212	15.3
155.10818	1.8
160.01704	1.1
161.04567	2.0
163.11279	8.1
165.05486	1.0
165.12854	3.8
170.92630	0.8
171.10255	22.4
175.04027	1.0
178.09966	3.5
181.08691	1.0
181.12309	0.9
185.11824	10.4
191.10715	0.9
191.14484	1.0
197.11838	15.9
197.66629	0.8
201.11342	1.1
209.11852	87.8
211.13466	1.9
219.13890	1.1
227.12871	1.5
238.12062	3.1
245.19069	4.2
253.09271	25.3
257.70203	0.9
279.19604	1.8
289.18124	18.9
305.46500	0.9
307.19180	100.0
325.20245	36.4
474.21115	6.4
543.28143	19.4
561.29102	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	561.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59134	0.9
55.01881	1.7
57.03455	54.5
58.00596	2.2
58.01823	0.9
59.01385	98.1
61.98836	2.0
67.11990	1.1
70.15618	1.1
71.01380	42.0
72.99325	2.1
73.02943	25.0
81.03465	1.8
83.01400	7.2
83.05044	5.3
85.02951	12.9
87.00893	1.5
89.02454	25.4
92.10773	1.6
93.07123	1.6
95.01391	2.4
95.05029	1.7
96.96033	2.6
97.02936	1.6
97.06588	4.5
99.00880	2.2
99.04515	12.7
101.02445	39.0
101.03096	2.0
109.02981	1.8
111.08165	2.2
113.02449	18.4
116.92760	1.1
119.03493	12.3
122.95452	1.4
123.04528	6.0
123.08170	9.0
125.02449	4.9
135.08139	13.1
149.09758	1.5
151.04034	1.8
151.07637	2.0
151.11293	2.7
155.07146	1.7
161.02513	1.6
161.04547	2.7
175.11259	5.6
177.09160	1.2
179.10832	2.3
193.12366	5.1
203.10851	2.3
207.04733	1.3
211.13420	5.7
221.11929	2.2
289.07236	2.8
397.95392	1.4
417.17761	60.4
459.18759	40.2
499.21985	14.8
554.70294	1.3
561.22046	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	559.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94415	0.5
55.01900	0.6
59.01381	29.3
71.01373	5.4
73.02969	0.6
85.02964	1.0
89.02441	5.8
92.85356	0.6
101.02435	5.8
113.02464	1.1
119.03497	1.2
128.03506	0.7
135.04501	0.6
135.08170	0.7
148.08920	2.4
151.11249	1.0
161.04517	1.1
163.11305	5.8
163.52708	0.6
165.12848	24.1
171.10245	1.4
189.12825	0.9
191.14397	10.0
207.10361	0.8
209.11911	1.1
219.17519	9.1
245.15486	7.3
245.62830	0.6
248.08998	0.7
253.09276	18.8
263.16531	100.0
264.16995	0.7
305.17468	1.1
314.81430	0.7
321.12964	0.7
430.65350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43358	0.2
55.01893	0.2
55.40401	0.2
56.05816	0.2
57.03451	0.3
58.63331	0.2
59.01383	32.2
64.34553	0.2
67.25746	0.2
71.01376	4.4
72.99303	0.4
73.02936	0.9
85.02962	1.1
87.00888	0.5
89.02437	5.0
92.89066	0.2
95.01363	0.3
95.05003	0.4
97.06573	0.3
101.02435	5.3
107.05053	0.3
113.02435	2.3
113.06096	0.3
119.03493	1.5
119.04987	0.2
127.01810	0.3
135.08102	0.4
147.08160	0.4
148.08975	2.7
149.09711	0.5
150.10548	0.2
151.11292	1.5
151.46887	0.2
161.04561	2.1
163.11305	4.6
165.12843	23.2
179.05576	0.5
189.12804	1.8
191.14421	9.8
219.17563	9.1
222.13895	0.2
227.14449	0.5
245.15506	7.2
253.09320	19.8
263.16544	100.0
264.16870	1.5
334.72031	0.4
394.14886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93639	0.5
53.08239	0.4
59.01397	0.6
61.98831	100.0
68.82687	0.5
69.85463	0.5
76.98531	0.5
79.41585	0.5
88.81969	0.5
115.49603	0.5
138.09679	0.6
138.12180	0.5
189.61601	0.6
243.60738	0.5
244.58788	0.7
269.60150	0.6
297.31937	0.6
532.85736	0.6
558.37561	1.3
578.61700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00908	1.1
59.01385	100.0
71.01385	10.9
83.01392	1.8
84.52489	1.3
85.02949	1.4
86.30617	1.3
87.00864	1.8
91.03777	1.8
96.96019	12.3
97.02920	1.7
99.00867	18.6
100.21915	1.4
108.02187	3.0
111.00921	6.0
112.98814	61.2
115.00398	3.0
116.92882	1.6
125.02467	2.1
142.99866	14.1
145.01442	3.4
148.05319	9.2
163.07686	9.9
172.93582	1.7
173.00919	45.3
174.01718	45.8
178.06329	2.4
193.08728	2.3
197.08249	1.4
207.22328	1.4
221.53079	1.3
234.51271	1.3
240.11203	1.5
249.07675	16.3
282.92490	1.5
309.09833	8.0
411.13290	2.1
515.26605	1.7
584.10199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76035	1.1
58.99617	1.3
59.01390	8.3
61.98842	2.7
71.01379	1.4
74.02496	2.3
82.02995	2.0
84.04562	2.8
86.02465	13.1
96.04569	1.3
113.04298	2.8
123.04478	1.6
127.05095	5.5
127.08780	19.2
128.03532	100.0
129.00183	2.6
149.02460	2.5
153.06723	6.3
163.11214	1.7
171.07755	60.3
171.10097	2.4
185.11856	1.6
191.14381	2.2
197.05743	1.7
207.10323	2.6
215.06688	9.6
221.11832	3.3
225.11299	2.4
227.12848	1.4
238.12173	2.4
245.19119	8.9
249.05521	1.8
272.10974	2.7
272.98291	1.4
289.18042	12.6
307.19135	9.2
317.13840	1.9
323.16946	6.8
341.18002	25.8
428.21191	12.7
557.25549	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	557.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16450	0.9
53.31330	1.0
57.03455	1.6
61.13466	1.1
61.32512	0.9
61.98826	1.5
67.01906	4.8
82.42351	1.0
87.00874	8.2
92.10101	2.2
108.22745	1.0
111.00883	100.0
172.93964	1.3
173.00893	7.0
187.40305	1.3
197.11810	1.4
209.11885	5.3
211.13283	1.7
234.51399	1.1
256.51648	1.2
257.37573	1.3
395.17957	1.4
403.25339	1.2
403.44519	1.2
449.62979	1.3
533.27258	1.2
557.10663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57592	0.8
51.28386	0.8
60.22128	0.8
78.95897	1.2
93.03466	2.2
93.45148	1.0
108.02171	4.2
117.30302	0.9
121.02901	1.1
123.04522	10.6
124.01665	19.6
125.02430	4.5
133.02972	4.6
134.03722	4.9
136.01654	9.6
139.04022	16.5
145.02969	6.2
148.01675	1.8
151.04005	21.8
152.01186	15.1
159.04518	1.4
163.00385	28.2
163.03995	2.3
164.01178	24.6
165.01945	6.6
167.03503	100.0
172.05295	2.0
175.22905	0.9
177.01909	1.2
178.02692	7.5
179.03516	13.6
180.05710	1.2
198.06711	1.1
213.05614	1.3
214.06549	1.1
224.04790	6.2
225.05658	3.6
226.06535	1.1
241.05051	5.7
242.05884	12.2
249.01120	1.1
252.04207	5.2
257.08347	8.4
267.06622	11.9
270.05402	12.9
271.22809	23.5
275.29651	1.2
279.23257	1.6
280.23724	1.5
285.07727	44.9
303.08749	9.3
389.27103	5.6
397.14273	1.1
493.92966	1.0
505.31393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99684	0.3
59.01388	2.3
60.01751	0.3
61.98832	100.0
62.11181	0.3
71.01376	0.5
78.67355	0.3
89.02429	0.5
92.10689	0.6
96.96002	0.8
139.99413	0.4
161.55553	0.4
209.11848	1.3
210.12183	0.8
220.33214	0.4
260.24124	0.3
390.10568	0.7
391.82965	0.4
405.13126	0.7
420.15305	1.6
468.17352	0.4
480.17429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07156	0.3
53.92525	0.4
57.03473	0.5
57.53662	0.4
59.01383	3.7
59.47371	0.4
61.98838	4.4
63.72126	0.4
68.88937	0.4
69.50558	0.4
71.01376	0.5
76.58311	0.4
83.30890	0.4
89.02414	0.4
89.20266	0.4
92.09972	0.9
93.03455	4.1
95.01418	0.5
101.02415	0.6
103.16447	0.4
106.19394	0.4
108.02197	0.8
109.02953	2.7
121.02943	14.5
122.03728	17.1
122.04620	0.6
123.04515	2.3
124.01650	0.8
129.03455	0.6
132.02190	0.9
133.02966	6.0
134.03758	4.1
135.04512	1.8
136.01613	0.9
137.02435	1.1
145.02963	2.8
146.03780	2.5
147.04543	5.5
148.05313	0.5
148.73656	0.4
149.02446	25.1
149.06067	5.0
150.03227	100.0
151.03944	1.0
154.02736	0.5
161.06070	0.9
162.03200	1.1
163.04059	0.8
164.04810	5.3
165.05568	89.2
177.05563	2.1
179.07162	5.8
180.04291	5.1
186.65761	0.5
195.06642	29.1
211.13416	2.8
233.51161	0.4
315.12372	0.7
317.13913	0.5
329.13959	0.8
346.14270	3.3
347.14929	3.3
361.16586	26.9
415.17743	1.9
457.06268	0.5
476.39490	0.6
509.21851	21.8
521.21851	4.7
539.22894	3.4
557.24023	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	557.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.7
61.98828	6.7
62.93838	0.7
71.01406	1.5
81.66850	0.7
93.03451	6.4
101.02433	0.8
104.59729	0.7
108.02206	4.1
109.02984	4.7
119.05061	3.3
120.78178	0.8
121.02952	30.9
122.03735	23.8
123.00910	1.0
123.04530	6.1
124.01646	3.3
125.02403	0.9
129.03505	1.3
132.02164	3.3
133.02957	16.3
134.03726	14.4
135.04536	5.2
136.01665	3.1
136.05304	1.3
137.02486	4.4
137.06165	0.8
139.45534	0.8
140.26891	0.8
145.02950	2.9
146.03777	6.8
147.04527	16.3
148.01689	0.8
149.02448	44.8
149.06091	15.6
150.03229	100.0
151.00374	0.7
151.03981	0.9
154.02780	0.9
161.02428	0.7
161.06114	6.5
162.03210	1.3
163.03979	1.7
164.04784	11.6
165.05571	87.1
171.18050	0.7
174.74153	0.7
177.05594	1.7
178.06404	1.1
179.07155	11.3
180.04355	3.5
180.08000	1.0
191.07111	0.8
195.06633	15.0
211.13478	4.0
239.50870	0.9
271.06177	0.9
283.09824	1.3
285.11359	0.9
297.11359	1.1
299.12952	1.8
315.12436	1.4
327.12103	1.6
329.13959	1.8
331.15393	1.1
345.13538	1.8
346.14532	5.7
347.15033	10.4
361.16592	44.8
415.17612	5.9
509.21878	69.7
510.22107	1.7
515.27051	0.8
521.21832	6.9
539.23322	5.9
557.23480	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	557.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13059	2.1
54.82648	2.8
58.02971	22.2
58.74960	2.1
59.01387	23.1
61.98838	4.3
71.01395	9.9
73.02959	3.3
74.02471	31.2
82.02966	2.4
86.02500	10.5
86.06104	2.7
87.05637	5.2
89.02493	3.4
92.10795	5.6
99.05621	38.1
101.02463	10.7
101.07247	5.5
102.05615	5.9
109.04070	5.9
112.04170	3.0
113.02470	3.0
116.81715	2.5
123.05620	2.9
125.03544	3.6
127.73985	2.7
128.03529	79.8
135.05666	15.2
143.04620	100.0
146.04605	5.7
153.06647	3.4
166.09904	10.5
167.08315	3.3
179.04659	21.2
181.06331	2.6
210.08897	29.1
210.70483	2.7
215.00949	3.0
221.08789	2.7
227.50916	2.4
239.09845	5.4
254.07806	30.7
255.86639	3.3
272.08875	51.3
284.13287	20.2
329.14120	3.4
341.14078	2.6
428.18997	4.6
476.17114	4.1
491.19333	47.6
503.19324	31.8
521.20325	10.6
539.22040	12.2
557.23114	76.2
566.55670	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	557.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.4
59.01384	7.4
59.06766	0.7
61.98839	1.7
63.74714	0.6
71.68269	0.7
83.01364	0.9
83.50761	0.8
89.02428	1.1
90.01719	0.8
91.05486	0.7
93.03455	3.8
95.05020	1.4
105.03455	1.2
109.02951	0.8
115.82425	0.8
116.60696	0.9
116.92869	1.7
121.02949	24.8
122.03737	9.5
123.04527	1.1
133.02898	1.1
135.04509	3.4
136.01700	1.3
146.03674	1.2
149.02446	100.0
150.03235	58.1
151.03999	1.6
160.29587	0.8
162.03241	0.9
164.04799	17.3
165.05566	55.0
166.06351	67.8
167.07164	10.9
174.48045	0.8
179.17944	0.8
180.04271	3.0
181.08720	39.9
195.06628	15.7
197.11862	1.4
211.13452	5.8
239.58969	0.9
253.08842	0.9
281.96033	0.8
283.09702	1.1
300.16367	0.8
311.12958	1.0
312.10275	3.3
313.10858	6.6
327.12408	7.8
329.14050	5.7
361.16760	0.8
398.30719	0.9
494.19714	4.2
509.21863	56.7
519.22241	0.9
527.30347	0.8
535.15375	0.8
557.30865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43774	1.3
59.01387	11.4
61.19395	1.1
61.98849	2.6
63.32837	1.2
64.07423	1.1
67.51849	1.3
71.01386	1.7
72.99299	1.4
75.58743	1.2
83.01389	1.2
101.02426	2.6
120.99206	1.2
121.02946	2.0
134.03734	27.7
135.04500	1.9
136.01682	5.2
145.02968	2.4
146.03691	1.7
149.06091	10.8
150.03325	1.5
151.04025	2.1
165.37895	1.2
209.11882	1.8
224.04715	5.5
225.05624	2.1
237.05554	2.2
240.04378	1.8
252.04257	3.1
253.05014	6.9
254.05803	2.4
255.06592	2.9
259.29724	1.3
265.05005	1.7
269.04718	2.8
280.07611	2.3
281.04590	11.2
282.05466	1.8
283.06223	1.8
284.06918	2.8
295.06555	1.5
296.06747	10.1
297.07556	2.1
299.09299	2.6
311.09238	12.8
313.10837	5.3
317.08240	1.6
329.08350	2.0
345.07742	1.6
346.08298	5.6
356.06848	1.7
357.07492	2.3
358.08530	6.8
361.10968	7.9
368.06927	1.6
369.07718	1.8
371.09366	2.2
373.07153	6.5
374.08026	22.6
376.16693	1.8
386.08069	8.1
389.10391	53.0
401.10297	25.8
404.12677	60.9
416.12677	19.7
419.15076	100.0
431.15097	12.9
437.83051	1.5
449.16193	2.1
467.17166	46.3
479.10623	2.3
479.17191	46.2
491.19186	5.4
503.18817	4.9
521.20471	2.0
557.22314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98830	45.7
68.82105	2.7
71.01378	23.1
83.05024	5.7
89.02447	22.6
101.02426	12.6
101.89721	3.5
113.02463	4.8
119.03510	5.9
150.03142	3.8
163.11325	4.7
164.11642	3.5
179.05696	5.6
194.09450	5.0
201.29797	3.5
209.11847	84.4
210.12181	53.0
211.12413	21.3
227.12764	4.0
228.13232	6.8
253.09251	5.1
305.75955	3.2
314.11505	3.3
329.14023	8.0
341.13843	3.9
359.15091	13.5
435.64743	4.1
441.09988	3.4
557.17969	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	557.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34351	4.2
59.01392	24.3
61.08769	4.9
66.73608	4.1
71.44501	5.2
75.91244	5.0
77.72852	4.6
78.32269	4.5
79.61891	4.4
125.01501	5.4
128.03539	11.3
128.49915	4.9
143.04639	27.5
144.52415	5.1
173.45453	5.9
210.08855	6.3
272.08878	8.9
326.11487	6.9
341.13828	7.4
386.44659	5.5
419.14774	9.9
491.19315	100.0
503.19351	88.7
521.20215	30.4
557.23608	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	557.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34584	8.1
59.01379	11.4
64.33650	10.2
69.69946	8.0
70.06070	8.1
71.92568	8.2
82.91871	9.2
84.33806	9.8
89.34843	9.9
92.10123	23.1
159.04510	10.2
160.05264	18.6
164.04802	18.2
167.34448	9.9
175.07680	11.6
178.06422	12.4
179.06952	11.8
247.93788	10.6
250.00745	10.6
329.13956	100.0
359.14951	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	557.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91767	4.4
59.01385	35.1
61.98849	10.9
69.55964	4.9
71.01395	9.1
80.59013	4.7
83.01378	35.2
92.10792	4.8
93.03444	4.8
96.73740	4.5
96.96006	8.3
99.92036	4.6
101.02454	5.8
107.75082	4.8
113.02493	8.7
121.02948	6.5
123.04539	9.0
135.04512	11.5
137.02490	18.5
137.06117	5.4
147.04568	8.8
150.03247	7.2
151.00381	6.3
159.04446	5.6
163.04018	61.8
164.04805	32.6
165.05591	8.1
166.06432	9.7
175.03987	11.0
175.07681	7.8
176.04758	27.9
177.05638	10.9
211.13411	10.3
292.24167	5.1
300.10022	6.7
312.10107	7.6
313.14221	5.3
327.12585	9.4
329.14331	7.1
341.13971	8.8
342.11044	7.9
345.13412	22.9
357.13556	100.0
375.14435	11.6
399.74188	5.5
428.26526	5.5
437.08957	8.3
474.70920	5.2
479.21304	5.4
497.20438	6.9
509.21826	93.8
557.23883	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	556.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61556	0.2
61.98835	100.0
66.40218	0.2
75.33588	0.2
78.95886	0.4
92.10273	0.3
97.89633	0.2
125.83913	0.2
233.36314	0.2
321.09131	0.2
346.05478	0.3
346.22235	0.2
480.83542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08187	4.2
59.01403	5.3
61.98859	8.9
63.32986	3.8
71.01421	6.2
81.10320	3.8
128.05286	3.7
196.53081	4.2
253.09254	9.0
277.21719	100.0
404.81381	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	556.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98853	1.2
63.33212	1.1
71.01389	1.2
76.84649	1.2
78.18523	1.2
78.95910	21.4
79.66476	1.2
79.95751	2.5
80.96521	15.4
94.98115	4.7
98.24171	1.0
109.36581	1.2
152.99687	1.9
157.13588	1.2
164.98701	2.2
168.04385	1.6
173.16003	1.6
224.06949	7.1
225.00792	2.4
247.85037	1.4
281.24893	100.0
282.25171	1.5
506.32553	51.9
556.28906	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	0.4
68.06075	0.2
71.01351	0.4
78.95903	5.6
78.98592	0.4
79.95757	1.2
80.96511	6.7
81.96465	0.4
85.03008	0.3
91.60364	0.3
94.98084	1.9
112.68240	0.3
114.17197	0.3
122.97549	0.6
125.02407	0.3
134.97560	0.6
136.04414	0.3
148.99171	0.5
152.99605	0.6
164.98631	1.3
168.04271	1.7
224.07007	0.7
225.00690	0.7
226.01071	0.4
242.07961	2.4
256.23569	0.4
281.24875	100.0
282.25174	1.4
382.38980	0.3
452.88565	0.3
506.32547	30.7
556.28735	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	557.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17250	23.1
77.73666	22.2
113.19748	25.7
131.34393	22.3
146.42432	24.4
148.53241	23.9
213.61345	25.6
260.09009	25.4
329.13882	100.0
341.13879	33.2
365.24942	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.62146	1.0
61.98842	1.1
64.34608	0.8
69.11520	1.0
73.27349	1.1
85.92580	0.9
95.05114	1.2
115.52627	1.1
126.29194	1.1
209.11845	25.9
211.13420	36.0
227.12938	1.4
562.46259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98852	2.5
62.89976	1.7
70.63802	1.3
86.02247	1.6
102.26122	1.7
189.10423	1.7
192.73491	1.4
209.11896	22.5
211.13425	41.5
246.00322	1.7
253.14195	1.6
300.33600	1.7
452.26132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27102	0.1
55.01889	0.2
56.48852	0.1
57.03432	0.2
59.01389	7.9
60.40266	0.2
61.75896	0.2
61.98837	0.4
62.86835	0.2
71.01386	3.2
72.99354	0.3
73.02959	0.4
80.02693	1.1
81.03468	1.1
83.01381	0.7
83.05028	4.8
84.02157	1.4
85.02972	0.8
87.00893	0.3
89.02443	3.5
92.10786	0.4
95.01353	0.3
95.05021	0.8
101.02440	4.3
113.02436	1.7
116.92822	0.2
119.03476	1.0
125.06041	0.2
135.08192	0.4
138.28166	0.2
161.04594	1.7
163.11308	4.1
165.12836	2.5
179.05623	0.4
181.12381	0.3
191.10799	1.1
209.11855	100.0
210.12256	1.5
227.10654	0.4
227.12903	12.0
235.08228	0.3
253.09299	10.8
282.62186	0.2
445.20813	1.9
463.21906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2847
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.65760	0.4
59.01383	4.4
63.96219	0.5
68.98499	0.4
69.03474	0.8
71.01382	10.5
71.84220	0.4
73.02950	2.0
77.42029	0.4
78.95914	2.6
78.98586	7.4
79.95737	10.4
80.96514	80.9
81.03464	0.7
85.02942	3.7
87.00879	3.3
94.97478	0.7
94.98083	19.8
96.95994	0.5
97.02954	2.0
99.00850	0.5
101.02445	3.0
106.98085	4.1
122.97579	6.6
125.02477	3.5
127.03969	0.6
134.97580	7.0
135.25317	0.5
136.99121	1.1
148.99138	9.7
152.98622	8.9
164.98637	14.5
182.99709	2.9
206.99702	3.3
224.06946	0.7
224.98607	0.7
225.00778	19.6
232.00055	0.5
243.01779	2.4
255.23314	14.6
256.23642	9.4
286.80939	0.5
299.04425	3.2
403.15976	0.5
480.31152	3.7
481.31436	7.4
555.28522	100.0
556.28906	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	555.2849
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.32534	1.2
54.82184	1.2
55.13338	1.2
59.01405	1.7
64.86156	1.1
65.86326	1.1
69.03436	1.0
70.86877	1.0
71.01372	8.2
73.02948	1.3
78.98598	6.6
79.95737	10.4
80.96513	86.2
85.02930	2.6
85.37965	1.0
86.18173	1.1
87.00867	1.6
90.27084	1.0
91.32151	1.0
92.10062	2.2
94.98067	21.7
95.55032	1.1
97.02922	1.5
101.02404	1.7
106.98101	6.3
122.97575	4.7
125.02446	2.3
134.97594	4.3
148.99132	8.0
152.98622	7.1
164.98631	16.0
206.99599	2.0
209.11826	2.2
222.47136	1.3
224.89986	1.4
225.00722	19.8
255.23224	1.9
281.24744	2.0
287.22330	1.8
299.04309	4.1
309.20767	2.7
330.82947	1.1
337.90967	1.1
454.75455	1.2
473.26242	1.2
555.28497	100.0
555.42145	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	555.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92229	0.4
59.01380	1.0
63.96218	0.4
67.03371	0.4
69.03480	0.4
71.01370	8.6
73.02943	1.9
73.68600	0.4
78.98588	5.6
79.95734	9.2
80.96513	76.5
81.03465	0.5
85.02971	3.1
87.00870	3.8
92.10830	1.8
94.98079	17.7
97.02969	0.8
99.00887	0.8
101.02459	3.8
106.98096	4.4
113.02453	0.4
122.97569	8.1
125.02449	2.8
127.03998	0.6
128.03535	0.7
134.97610	5.6
135.15533	0.4
136.99141	2.5
146.97575	0.5
148.99152	7.4
152.98639	9.0
164.98630	12.5
167.00201	0.6
175.90221	0.4
182.99702	2.2
198.48196	0.5
206.99738	3.3
225.00768	20.6
243.01801	2.4
255.23364	4.0
255.73930	0.5
299.04510	2.5
422.87570	0.4
555.28503	100.0
556.28668	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	555.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82294	1.7
59.01382	8.3
61.98838	7.5
71.01405	1.6
77.16998	1.3
87.23444	1.4
89.61541	1.4
93.03419	6.2
98.93874	1.6
109.02970	3.0
119.05030	2.7
121.02947	24.1
122.03725	10.2
123.04495	2.3
132.02170	2.8
133.02953	6.9
134.03761	2.0
135.04549	6.9
136.01558	1.8
147.04465	2.9
149.02451	72.1
149.06104	3.7
150.03236	100.0
151.00409	3.3
151.04066	2.3
159.04550	2.2
160.01666	2.0
160.05287	8.6
161.06075	2.6
163.03966	7.6
164.04796	19.7
165.05576	68.9
166.06419	3.5
168.44005	1.5
175.04060	2.8
175.07655	2.1
176.04581	1.9
177.05539	2.7
178.06421	2.8
179.07126	3.3
180.04269	3.5
193.04987	1.8
195.06625	24.5
240.04282	2.9
265.08557	1.7
269.08054	2.7
269.11761	2.4
271.06299	2.5
283.09421	2.0
295.06046	3.3
297.11273	11.3
298.08377	3.4
310.08566	3.1
311.09225	2.4
311.13010	1.9
313.10709	6.7
314.11694	3.5
315.12540	6.2
325.10889	3.2
326.11765	2.1
329.13940	23.6
341.13977	3.1
462.16849	2.4
477.19382	14.3
492.17471	5.4
507.20306	99.9
525.21417	2.3
537.21808	2.3
555.22028	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	555.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.4
61.22085	5.8
76.57174	5.9
83.18275	5.8
92.86049	6.1
95.88244	5.5
109.02921	9.6
125.02390	12.4
133.02928	29.6
181.06593	40.9
183.04521	8.3
202.99889	23.5
225.05623	100.0
253.09531	8.6
265.17810	7.3
267.06573	8.8
283.19193	71.5
403.08203	12.4
429.06226	80.6
430.06619	8.1
439.58725	8.1
519.28247	28.8
555.09009	26.4
555.26349	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	555.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	4.3
60.45047	1.1
61.98841	1.1
73.54067	0.8
76.43771	1.0
86.22028	1.2
93.03465	2.4
94.88772	0.9
104.74979	0.9
107.39713	1.0
108.02190	1.5
121.02950	10.0
122.03739	11.6
123.04472	1.8
135.04485	1.1
147.04488	0.9
149.02438	28.0
149.06119	1.2
150.03226	100.0
159.99026	1.0
160.05307	2.4
161.06190	1.4
164.04823	6.0
165.05568	76.9
166.06415	8.9
175.07681	1.3
179.07217	1.0
180.04269	5.9
181.08762	1.7
195.06641	45.0
239.06932	1.3
240.04210	6.8
255.06667	1.1
267.06708	2.2
269.08243	2.3
283.06186	3.6
295.06213	6.8
298.08499	6.3
299.09039	1.5
310.08374	4.0
311.09241	1.8
313.10693	7.3
314.11609	4.7
323.47876	1.0
325.10730	7.1
326.11609	1.5
329.14026	12.6
341.13989	5.3
431.15329	1.3
477.19440	1.9
507.20410	9.6
525.21503	5.0
537.21570	1.5
555.22357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51081	0.6
54.82682	0.9
56.94260	0.6
59.01389	3.3
59.39206	0.7
61.98834	4.1
71.01386	3.1
72.71275	0.7
85.02979	0.8
96.96004	18.7
101.34879	0.7
108.02191	1.4
121.03023	0.9
122.03774	1.0
134.03729	31.6
136.01662	100.0
149.06097	12.2
151.04013	85.2
152.04803	6.4
167.07138	5.2
167.36069	0.7
185.06087	1.4
193.04985	0.9
205.27757	0.9
210.30171	0.8
213.05582	7.7
224.04826	1.6
241.05069	47.2
256.07416	31.7
271.06796	1.6
271.09763	46.9
319.11813	3.9
506.91907	0.9
555.20929	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.0
65.23470	0.4
71.01394	1.0
89.02458	0.5
95.01366	0.5
96.96001	2.3
96.96960	0.5
108.02196	2.2
121.02950	0.7
122.03764	0.7
129.50500	0.4
134.03745	30.5
135.04517	0.5
136.01663	100.0
149.06091	11.8
151.04019	90.1
152.04810	8.9
167.07103	4.2
185.06094	0.7
195.04523	1.9
195.20015	0.5
213.05643	7.2
223.04059	1.7
224.04875	0.8
241.05103	48.4
256.07443	29.7
270.09177	0.6
271.09799	40.8
283.51031	0.6
319.11926	4.0
354.37772	0.5
406.15399	0.5
488.83978	0.5
520.28577	0.5
531.96008	0.4
555.20868	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.4
64.98996	0.3
68.88804	0.3
71.01383	3.7
83.01405	0.3
85.02952	0.6
88.98812	0.4
89.02432	2.8
95.01436	0.4
96.96008	2.0
99.00956	0.3
101.02441	2.3
107.05044	2.1
113.02443	1.8
119.03510	0.7
120.02157	3.3
121.02956	1.4
123.04529	1.5
135.04561	0.5
138.03220	9.9
153.05583	100.0
154.05942	0.6
156.44652	0.4
161.04578	0.6
165.01970	0.4
169.02786	0.3
179.05586	2.2
179.07025	1.0
204.43777	0.3
208.11082	0.4
264.17105	0.4
333.13498	21.6
337.11951	0.3
555.21704	0.6
564.84985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62416	2.1
59.01380	41.2
61.98831	4.6
68.98548	2.2
71.01395	12.9
72.99318	2.5
73.02987	3.2
75.00865	4.1
85.98949	2.3
89.02453	20.6
101.02473	12.5
108.02132	2.9
113.02483	4.4
119.03515	5.5
119.05022	11.1
121.03027	3.8
132.45169	2.5
135.04466	2.3
149.02408	2.4
150.03227	15.0
151.00371	11.3
165.05545	10.5
168.38980	2.5
179.05566	9.6
207.55632	3.0
209.11867	100.0
227.12926	11.4
240.07820	10.6
253.09312	14.4
255.06633	2.8
256.06982	4.0
271.06116	27.0
309.11426	4.4
321.38223	2.5
339.12430	9.2
363.53897	2.9
444.63483	2.5
501.17838	3.5
555.16785	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	555.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.4
64.98996	0.3
68.88804	0.3
71.01383	3.7
83.01405	0.3
85.02952	0.6
88.98812	0.4
89.02432	2.8
95.01436	0.4
96.96008	2.0
99.00956	0.3
101.02441	2.3
107.05044	2.1
113.02443	1.8
119.03510	0.7
120.02157	3.3
121.02956	1.4
123.04529	1.5
135.04561	0.5
138.03220	9.9
153.05583	100.0
154.05942	0.6
156.44652	0.4
161.04578	0.6
165.01970	0.4
169.02786	0.3
179.05586	2.2
179.07025	1.0
204.43777	0.3
208.11082	0.4
264.17105	0.4
333.13498	21.6
337.11951	0.3
555.21704	0.6
564.84985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87121	13.9
57.32875	12.1
59.01401	67.1
62.51163	13.2
63.42892	12.7
72.99314	100.0
77.76676	12.8
88.98817	60.6
90.53893	14.7
92.02942	14.8
98.17783	13.7
121.02950	17.9
148.08464	16.0
156.29457	14.7
209.11850	77.1
286.31711	16.3
312.10110	23.3
327.12543	89.3
339.12421	24.2
389.73907	15.2
439.90546	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	555.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56790	21.1
58.31535	21.6
59.01382	56.2
60.38879	20.7
60.86468	22.8
61.98833	43.0
62.68037	23.1
96.68775	25.6
102.34966	26.2
130.97198	24.4
131.44394	23.6
144.79303	24.1
202.33374	24.3
224.49973	24.4
282.50464	28.1
297.07886	40.0
309.07742	60.0
327.12476	61.4
339.12320	100.0
412.27621	26.5
494.41046	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1299
Annotation	7-O-Methyltetrahydroochnaflavone
Peak:m/z	Relative Intensity
59.70913	1.2
62.93366	1.1
63.02413	2.8
65.00336	9.2
68.10350	1.2
68.23841	1.2
70.26114	1.4
71.87631	1.2
72.85117	1.3
73.93698	1.4
83.01414	7.3
93.03467	9.5
107.01409	21.4
119.01346	1.6
119.05024	100.0
125.02441	8.0
135.00891	10.8
137.02454	6.9
145.02951	2.2
150.99176	2.2
151.00375	78.3
163.00369	79.5
165.01927	1.8
177.01991	6.1
209.11826	2.8
211.13423	6.0
227.07147	5.6
271.06149	90.9
283.06158	78.0
283.08545	1.8
433.07382	1.6
555.13184	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	555.13
Annotation	Sikokianin B
Peak:m/z	Relative Intensity
52.71804	0.5
52.72701	0.5
56.75991	0.5
57.03457	0.7
59.31052	0.4
60.52993	0.4
61.98820	1.2
62.61295	0.4
63.02400	0.5
65.00323	8.0
67.03143	0.5
68.99818	1.9
71.47300	0.4
71.96823	0.5
81.03468	0.6
83.01372	3.7
86.00991	0.5
93.03452	15.9
107.01388	6.2
108.02213	0.8
109.03065	0.4
110.00101	2.4
111.00928	0.6
117.03442	2.7
119.05023	57.1
123.00910	0.7
124.01659	0.9
125.02453	5.4
132.78185	0.5
136.01660	2.3
136.98811	8.1
137.99590	0.9
139.00362	0.5
141.70110	0.5
143.05013	7.1
145.02968	10.4
151.00403	10.3
152.01184	0.8
157.06577	1.0
163.00400	0.7
164.01166	6.9
164.98289	7.3
165.01917	4.2
165.99088	15.8
169.06642	0.7
171.04539	2.0
172.05357	0.8
177.01929	0.8
181.01433	14.2
185.06050	2.8
187.03955	2.5
192.00671	0.9
195.04559	2.0
196.00198	3.5
196.05307	1.9
197.06078	2.0
199.02473	1.8
200.04839	1.2
201.05649	0.9
211.03978	0.7
211.07596	1.8
212.04790	3.0
221.09781	6.9
224.04799	0.8
225.05544	0.6
227.07161	7.1
235.07628	0.7
239.07260	0.6
240.04300	3.3
241.05022	2.2
242.05934	1.0
244.03738	0.8
245.09691	2.6
247.07574	1.2
248.08327	0.6
251.07127	0.9
253.05171	0.6
255.06680	2.4
257.04544	0.9
266.05939	0.5
268.03815	6.5
268.06406	0.6
269.04535	2.8
270.05295	6.6
271.06085	0.8
279.06833	0.7
281.08142	0.7
283.06131	14.4
284.06888	0.9
285.04233	4.0
287.10791	2.2
289.08719	0.7
292.07492	2.2
295.06247	0.7
308.06970	2.6
320.06717	0.7
323.09146	1.1
329.11880	8.4
331.06122	0.7
349.07129	2.4
363.08694	1.1
367.08261	1.2
373.10846	2.8
391.08228	6.5
403.12210	4.5
409.09543	3.9
435.07254	3.2
469.12958	1.8
471.11353	0.6
511.14081	18.9
555.13037	100.0
556.13458	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	555.1298
Annotation	7-O-Methyltetrahydroochnaflavone
Peak:m/z	Relative Intensity
55.21713	0.8
58.82788	0.9
63.02408	5.0
63.46754	1.0
65.00336	8.7
83.01364	7.4
92.10052	2.1
93.03466	6.8
94.80006	1.0
107.01400	17.5
119.01352	2.4
119.05019	97.9
125.02417	2.0
135.00885	13.5
137.02425	6.6
145.02945	2.0
151.00372	61.0
157.01411	1.2
163.00374	100.0
165.02010	1.8
169.01469	1.9
177.01945	2.0
185.06030	2.3
187.04022	2.4
227.07098	4.2
241.05070	4.9
265.05203	1.3
265.65192	1.0
271.06113	73.2
283.06125	75.7
283.19220	1.5
362.95416	1.2
367.16531	1.1
403.08081	5.9
409.09283	1.3
414.86816	1.1
555.13110	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	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18731	0.8
58.38420	0.9
58.42734	0.8
61.98830	1.9
65.62053	0.8
78.95894	20.0
101.47675	1.0
103.91882	1.0
118.48539	1.1
152.99574	1.9
168.04338	2.5
224.06970	9.1
242.07851	1.4
279.23297	100.0
280.23734	1.4
495.09750	1.1
504.30994	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0938
Annotation	Sulcatone A
Peak:m/z	Relative Intensity
50.20010	1.5
54.82326	2.2
55.14495	1.9
56.03262	1.7
58.76922	1.6
59.01379	4.4
61.03091	2.0
61.98838	2.2
64.84122	1.8
65.00311	3.5
78.73328	2.0
83.01401	2.0
92.10091	4.0
94.54778	1.8
110.00079	2.2
133.02907	17.0
136.98782	2.7
143.05128	2.5
151.00410	4.3
173.59047	2.2
211.04033	3.3
211.13416	2.2
216.04468	2.7
227.03513	4.0
241.05252	2.3
255.03024	3.0
257.29391	2.0
284.03271	3.2
299.01962	2.9
299.26807	2.3
300.02762	34.0
301.03436	2.9
403.08325	57.6
445.09778	2.4
469.09470	4.0
471.07358	4.6
487.10513	2.6
511.10486	25.2
555.09448	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	554.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56909	0.1
61.98832	100.0
72.68632	0.1
92.10166	0.2
135.88806	0.1
145.02971	2.6
163.04106	0.2
189.10071	0.2
271.22769	0.2
285.20584	0.3
305.98840	0.2
387.82642	0.1
399.25397	0.9
417.26428	0.2
469.45905	0.2
491.30280	2.4
554.40973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82555	0.3
61.98834	100.0
62.66590	0.3
68.06249	0.3
78.95910	3.0
82.31214	0.4
89.42612	0.4
90.24937	0.4
91.15979	0.3
94.72649	0.3
98.57321	0.3
99.38096	0.4
111.56454	0.4
145.03009	0.4
179.89203	0.7
196.89589	0.5
227.77562	0.4
367.42484	0.4
518.17596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31712	0.3
54.82389	0.3
61.98830	100.0
63.08311	0.3
78.95879	0.5
92.10786	0.8
92.65236	0.3
93.16027	0.3
103.75639	0.3
134.73827	0.3
145.02969	3.6
177.39595	0.3
277.43661	0.3
399.25580	0.3
491.30338	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	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.3
78.95901	5.9
78.96322	0.3
82.59833	0.2
100.19756	0.2
144.90955	0.2
152.99585	0.8
165.91722	0.2
168.04333	1.5
187.41685	0.2
217.46666	0.2
224.06976	0.9
242.07965	1.8
261.22131	0.3
279.23312	100.0
280.23645	1.4
281.51294	0.2
430.07446	0.2
504.31036	30.2
505.31604	0.7
554.41412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11336	0.5
52.43295	0.5
54.82261	0.6
57.03458	1.3
66.00674	0.5
69.48162	0.6
76.87610	0.5
77.84478	0.5
78.95889	0.7
80.88434	0.7
84.52775	0.7
89.40022	0.5
93.03468	2.4
97.06588	2.0
100.81693	0.6
113.09764	0.5
116.92864	0.9
119.01395	2.7
120.01802	0.9
121.02961	3.8
129.95181	0.6
139.11295	1.3
141.12936	0.6
147.00888	4.2
148.01234	2.6
155.14423	3.1
165.01898	1.2
172.42493	0.8
178.80679	0.5
178.91858	0.6
190.02751	2.2
191.03169	2.3
205.05067	3.4
206.05357	1.3
207.05621	1.0
211.13297	0.8
221.19104	0.7
241.21854	1.0
267.19781	3.8
271.22836	0.8
273.23499	0.6
285.20728	100.0
291.19583	1.2
309.20609	0.8
347.58932	0.5
383.24725	0.5
464.26859	1.1
479.29108	2.9
523.28412	3.5
539.11896	0.6
553.32916	18.2
553.41248	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	553.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81285	1.9
53.57656	2.0
57.05690	2.3
58.02974	9.9
59.01379	4.4
61.98860	3.0
70.64096	2.1
74.00711	2.9
74.02479	14.5
82.95450	2.1
83.01405	3.5
87.99676	2.2
96.04547	11.8
97.04070	13.1
98.02453	10.0
98.54461	2.5
99.05643	18.3
100.00420	4.8
108.04573	15.6
109.04114	3.0
110.02473	3.1
112.04069	13.8
112.07681	18.8
113.03579	10.9
122.06106	4.4
124.04044	13.5
125.03530	3.4
125.04856	4.7
127.05118	15.9
135.72430	2.3
137.07210	11.0
140.07217	18.3
143.04607	4.2
149.02588	2.2
152.03481	5.4
155.08272	32.3
158.02803	2.4
165.06679	25.2
179.59799	2.8
181.06306	2.8
183.07733	37.9
225.05505	4.3
227.06761	100.0
256.11407	3.5
291.19885	3.5
432.47223	2.5
553.25580	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32445	1.4
55.01881	1.5
57.03446	2.1
59.01385	6.8
64.13497	1.5
70.06021	1.5
71.01385	2.0
72.37806	1.6
83.01385	41.7
88.10081	1.5
90.43214	1.8
93.03480	2.9
96.45941	1.5
119.05029	2.3
121.02938	20.8
122.03738	30.0
123.04523	8.8
124.01816	1.6
129.70634	1.7
133.02925	3.6
135.04478	1.8
136.01633	6.9
136.05280	2.6
137.02431	3.0
137.06093	9.2
145.02940	8.5
146.03740	3.3
147.04475	7.0
149.02451	28.8
149.06085	2.2
150.03227	100.0
151.03992	7.4
154.02701	2.0
161.06049	6.7
162.03162	4.1
165.05589	65.4
177.05614	2.2
180.04330	3.2
193.05022	2.1
195.06685	20.0
221.08241	3.0
253.09215	2.7
263.16498	8.9
281.17563	10.1
342.11118	2.3
343.11716	2.4
357.13522	52.9
411.14578	7.0
505.18781	34.7
517.18481	8.3
535.19836	3.8
553.24139	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82638	6.9
55.78885	7.4
57.03453	8.2
58.53656	7.6
59.01391	13.6
61.98801	8.5
64.34515	8.7
72.42145	8.0
81.98566	8.4
120.53035	7.4
121.03005	8.0
133.02974	19.2
161.42004	9.6
173.24849	7.7
177.05573	16.2
183.10794	10.5
193.05075	13.0
226.41289	8.6
233.08138	10.9
253.09366	12.4
263.16562	9.9
276.95953	8.0
281.17566	95.1
331.06186	45.2
375.05313	56.0
399.04922	12.6
417.06192	31.7
517.26514	100.0
517.33026	9.8
553.07703	97.8
553.23938	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	553.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82638	6.9
55.78885	7.4
57.03453	8.2
58.53656	7.6
59.01391	13.6
61.98801	8.5
64.34515	8.7
72.42145	8.0
81.98566	8.4
120.53035	7.4
121.03005	8.0
133.02974	19.2
161.42004	9.6
173.24849	7.7
177.05573	16.2
183.10794	10.5
193.05075	13.0
226.41289	8.6
233.08138	10.9
253.09366	12.4
263.16562	9.9
276.95953	8.0
281.17566	95.1
331.06186	45.2
375.05313	56.0
399.04922	12.6
417.06192	31.7
517.26514	100.0
517.33026	9.8
553.07703	97.8
553.23938	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	553.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01134	3.3
59.01396	24.4
59.91141	3.0
60.58183	3.3
61.98844	4.1
63.15068	3.8
71.01398	6.1
72.70297	4.3
73.46606	3.7
74.61947	3.8
83.01376	58.4
88.66994	4.0
89.23068	3.6
93.03455	6.7
96.95999	22.3
116.19344	4.6
119.05000	4.7
121.02943	46.5
122.03732	46.6
123.04509	16.0
132.02165	5.7
133.02954	21.7
134.03714	7.8
135.04565	6.4
136.05258	9.0
137.06075	8.0
145.02979	7.4
146.03781	5.1
147.04547	26.8
149.02429	40.4
149.06056	8.9
150.03232	100.0
160.05211	4.3
161.02504	6.5
161.06068	6.7
164.04822	6.2
165.05576	58.7
177.05495	7.4
193.05019	5.5
195.06561	9.0
233.08286	5.1
271.06168	5.9
290.07367	4.3
300.46042	5.0
340.78983	4.0
343.11792	9.9
357.13492	75.4
391.04584	7.5
411.14651	15.1
493.35123	7.8
494.13480	4.8
505.18781	79.4
517.18610	9.8
535.20013	5.4
553.08356	5.5
553.21326	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	553.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07294	0.7
57.03462	1.9
59.01394	13.2
60.31699	0.9
61.98848	6.3
67.29684	0.8
71.01404	5.6
75.94715	1.0
81.95499	0.8
83.01408	7.8
85.02971	1.7
89.02452	4.3
99.04525	3.8
101.02473	4.0
108.02158	0.9
108.29375	0.9
113.02461	1.9
121.02946	7.8
122.03735	4.0
125.02471	1.1
128.03511	0.9
134.03751	5.0
135.04512	5.9
136.01620	1.6
145.02924	1.2
147.04530	8.7
148.05313	47.5
149.06084	5.1
150.03217	10.0
151.04037	3.6
159.04524	1.3
160.05301	30.8
161.04716	2.2
161.06064	20.1
162.03226	19.1
162.06877	4.3
163.04008	28.7
163.07646	1.0
165.01941	1.9
165.05536	2.1
172.05307	14.9
174.03188	0.8
175.04105	1.1
175.07652	7.0
177.05568	8.3
178.06337	2.2
180.04305	22.5
187.07643	15.4
190.06322	1.9
191.07169	1.9
194.05876	4.1
195.06601	1.8
205.08740	3.8
241.05058	1.3
256.06998	1.2
263.07114	1.2
264.07770	1.6
271.09796	3.9
280.07935	1.0
281.08151	16.1
283.09665	1.2
284.10626	8.5
295.09805	1.3
296.10556	17.7
299.12875	32.0
311.12933	23.4
314.11746	1.9
329.13980	100.0
341.13934	23.1
343.15439	1.5
359.14948	5.1
391.16925	1.5
467.17227	3.4
491.19244	50.3
503.19476	5.3
515.19720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.0
58.80807	1.4
59.01407	2.9
61.98832	3.0
61.99131	1.1
63.59395	1.3
71.01396	2.0
73.73357	1.4
90.75002	1.5
93.03479	6.3
95.05059	2.8
96.96021	2.4
109.02970	1.9
121.02959	32.1
122.03728	20.3
123.04498	2.0
124.01648	1.9
133.03003	2.5
134.03746	2.9
135.04530	23.0
136.01659	29.7
137.02437	14.6
147.04498	5.2
149.02449	70.1
149.06061	5.7
150.03233	99.7
151.04027	33.9
154.02803	1.9
160.05394	1.7
161.06100	1.9
162.03377	4.2
163.04030	7.1
164.04727	14.0
165.05573	69.0
172.05302	1.7
172.73891	1.6
175.04015	21.0
176.04713	1.9
177.05551	7.8
180.04243	2.7
184.34698	1.5
189.05609	8.8
190.06375	15.9
191.07076	2.2
191.10701	1.8
193.05046	1.9
195.06650	25.3
205.08763	1.9
215.07191	2.0
225.05602	1.9
233.08221	1.9
240.08107	2.4
252.04231	2.1
284.06833	1.7
285.07675	1.8
299.09406	2.0
303.13052	1.6
327.12344	2.7
343.11969	2.6
357.13455	18.7
460.15598	2.0
475.17871	7.4
487.17914	2.3
490.15991	1.9
505.18750	100.0
506.19449	1.6
553.21466	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	553.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55611	0.5
59.01378	7.8
61.98819	1.5
62.68865	0.6
68.99841	0.6
69.78391	0.6
70.20105	0.5
70.73209	0.5
71.01403	0.6
83.01411	1.5
91.42859	0.6
93.03445	4.8
96.95999	10.1
99.48067	0.6
101.02490	0.8
107.01338	0.8
108.02168	1.5
116.92879	0.6
119.05023	2.6
121.02956	8.0
122.03738	17.2
123.00900	0.8
123.04543	1.0
133.03004	1.1
135.04510	3.2
135.46194	0.7
136.01657	14.7
137.02449	3.2
137.06068	1.2
149.02458	22.5
150.03236	100.0
151.00375	2.7
151.04034	13.7
154.02711	0.8
160.05212	0.7
163.04012	1.0
164.04768	4.8
165.05577	80.5
175.03946	3.5
177.05547	1.4
178.02745	2.3
180.04301	5.0
189.05554	1.2
190.06279	2.5
193.05074	3.5
195.06642	36.5
209.30676	0.7
233.08235	1.2
271.06091	4.7
272.06375	0.7
295.16956	0.8
314.11414	0.8
327.12454	2.4
357.13403	9.4
433.11487	1.1
505.18909	9.0
530.68939	0.7
553.20752	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	553.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98841	0.9
71.01386	0.8
85.02935	0.6
88.98793	0.9
89.02441	0.8
98.22357	0.5
101.02397	0.7
103.00353	0.5
116.92830	0.6
121.02950	3.3
135.04596	0.5
165.01932	0.9
171.28029	0.5
211.04047	0.6
212.04819	0.5
227.03532	1.5
228.04291	1.5
239.03468	2.3
240.04309	1.8
253.04980	0.8
255.03398	0.4
256.03784	6.3
267.06537	0.4
268.03757	3.4
271.06140	32.0
283.06131	11.1
286.08478	22.4
298.08511	5.2
301.10843	51.4
302.11310	0.6
309.07739	0.4
313.10831	11.3
455.89459	0.5
530.03271	0.5
553.32281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01384	100.0
59.81744	0.4
71.01385	2.1
73.02917	0.5
73.18548	0.4
78.95902	0.5
89.02385	0.4
92.10813	1.2
100.26044	0.4
101.02448	0.9
113.02455	0.5
116.50762	0.5
121.02984	3.5
123.00858	0.6
149.02428	2.8
150.03300	1.3
151.95810	0.4
164.04816	0.5
165.01965	0.5
165.05586	2.0
180.04292	0.8
195.06595	1.9
196.03748	0.5
199.07733	0.8
199.96144	0.5
211.07639	0.6
225.05553	1.0
227.07106	1.8
237.05518	2.2
239.07570	0.5
243.06570	1.0
253.05014	2.1
255.06673	4.3
265.05029	2.1
267.06677	1.8
268.07370	3.5
270.09021	0.5
271.06140	20.4
275.62613	0.5
283.06107	18.6
283.09698	6.3
286.08463	17.2
290.99680	0.5
297.07678	3.9
298.08484	13.1
301.10852	53.3
302.11157	0.7
313.10858	32.2
314.10873	0.5
331.11987	0.7
343.11841	0.6
401.66565	0.5
509.25824	0.7
553.25854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01384	100.0
59.81744	0.4
71.01385	2.1
73.02917	0.5
73.18548	0.4
78.95902	0.5
89.02385	0.4
92.10813	1.2
100.26044	0.4
101.02448	0.9
113.02455	0.5
116.50762	0.5
121.02984	3.5
123.00858	0.6
149.02428	2.8
150.03300	1.3
151.95810	0.4
164.04816	0.5
165.01965	0.5
165.05586	2.0
180.04292	0.8
195.06595	1.9
196.03748	0.5
199.07733	0.8
199.96144	0.5
211.07639	0.6
225.05553	1.0
227.07106	1.8
237.05518	2.2
239.07570	0.5
243.06570	1.0
253.05014	2.1
255.06673	4.3
265.05029	2.1
267.06677	1.8
268.07370	3.5
270.09021	0.5
271.06140	20.4
275.62613	0.5
283.06107	18.6
283.09698	6.3
286.08463	17.2
290.99680	0.5
297.07678	3.9
298.08484	13.1
301.10852	53.3
302.11157	0.7
313.10858	32.2
314.10873	0.5
331.11987	0.7
343.11841	0.6
401.66565	0.5
509.25824	0.7
553.25854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37708	0.8
54.82394	0.9
57.43725	0.9
59.01379	7.7
61.98855	1.3
71.01373	2.2
72.99342	0.9
76.04778	0.9
78.12109	0.8
81.03461	1.4
89.02454	1.1
93.03458	1.1
95.66832	0.9
96.96019	5.2
99.00887	1.4
101.02374	1.2
103.04774	1.0
108.12856	1.1
121.02988	4.7
123.00880	1.9
123.04615	1.1
125.02423	4.5
129.61111	1.1
134.03789	1.9
135.04524	1.6
137.91447	1.1
149.02437	17.4
151.00368	5.2
151.03920	1.2
152.01195	9.9
163.04019	6.4
164.04814	19.1
165.01901	1.5
167.03456	2.1
169.05159	1.5
174.19908	1.1
176.26871	1.1
179.07161	4.5
193.01396	20.5
193.04941	1.3
208.03801	46.1
223.06134	100.0
227.09236	1.1
347.66452	1.3
495.33087	1.1
517.15625	32.3
554.67834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0787
Annotation	Moghatin
Peak:m/z	Relative Intensity
56.83767	0.8
58.83502	0.9
59.01394	4.3
59.61835	0.8
61.98837	1.4
63.02430	1.0
65.00341	2.2
78.95879	0.9
83.01363	1.6
84.66772	0.9
93.03465	3.8
98.20007	1.0
107.01422	6.7
111.48753	0.9
117.03459	10.1
121.02956	1.8
149.02440	1.1
149.06039	1.0
151.00374	14.3
151.46941	0.9
159.04579	7.5
165.05605	4.9
171.04459	1.0
193.05009	2.1
195.04523	1.5
195.77740	0.9
212.99103	1.1
225.07719	2.3
233.08162	2.0
239.03355	2.2
263.03635	1.5
272.79416	1.0
291.06485	1.9
293.04593	4.2
317.04626	1.3
319.06180	4.2
321.04193	8.1
323.05774	8.6
325.03534	2.2
345.04233	1.3
347.05753	14.2
349.03467	5.0
359.05731	1.6
361.03653	4.2
363.05194	3.8
373.03381	1.1
391.04636	72.6
392.05194	1.7
415.04590	16.2
417.02686	6.2
433.05637	16.7
459.03467	4.4
535.06854	1.1
553.07837	100.0
554.08014	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	553.1146
Annotation	Lanceolatin B
Peak:m/z	Relative Intensity
52.09617	0.3
57.03464	0.5
59.01394	0.4
61.98843	0.5
65.00338	2.3
65.65109	0.4
66.85300	0.4
70.24717	0.4
71.55511	0.3
83.01411	1.6
93.33569	0.4
96.04574	0.5
99.05673	0.6
107.01399	2.3
108.02220	0.5
112.04054	0.5
112.07729	0.7
125.02441	4.8
127.05527	2.0
140.07159	0.6
149.06087	2.5
151.00386	6.6
151.04050	0.7
155.05103	1.5
155.08241	1.4
157.06575	4.2
158.03775	3.4
160.01649	0.7
165.06680	0.6
173.06093	9.1
175.04012	2.3
179.04970	0.7
180.05811	0.5
181.06604	41.0
183.04509	7.3
183.07809	0.9
205.11819	0.4
207.04539	3.0
217.05045	3.9
223.04008	2.2
224.04797	0.4
225.05595	100.0
226.06004	0.5
227.06749	3.5
249.05505	3.2
251.00909	0.8
251.03520	22.6
263.16592	0.8
291.06741	0.6
315.28976	0.4
333.07764	0.5
333.11218	0.7
357.11459	0.8
369.07471	0.4
377.06659	1.7
401.10367	50.0
427.08258	16.3
553.11536	13.5
553.30627	1.7
554.11920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25700	0.2
59.01390	1.2
65.83018	0.3
74.84351	0.3
78.95900	6.2
79.01057	0.2
97.82114	0.2
130.17278	0.2
135.61520	0.3
147.62645	0.3
152.99609	1.9
164.18950	0.2
168.04341	1.9
224.07091	0.3
233.22849	0.3
242.08051	2.4
248.78362	0.3
259.20679	0.5
277.21753	100.0
278.22134	2.3
300.76553	0.2
310.15509	0.3
312.88278	0.3
363.30630	0.3
502.29462	32.6
503.29553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0783
Annotation	3'''-Hydroxyamentoflavone
Peak:m/z	Relative Intensity
57.03438	0.9
58.65220	1.2
59.01394	2.6
61.98843	6.5
63.02402	4.4
65.00332	4.3
66.36850	1.0
74.11642	1.0
83.01394	1.1
92.81017	1.1
107.01402	4.4
109.02948	15.5
132.02200	1.4
133.02968	31.2
145.57768	1.1
149.02460	1.4
151.00418	8.3
175.04124	1.3
177.01836	2.1
177.05606	1.5
191.07210	1.4
202.11543	1.1
211.52602	1.2
215.16879	1.2
221.06207	1.2
223.04025	1.7
239.53763	1.3
265.04956	1.1
291.32053	1.1
305.04654	5.4
307.06024	11.9
309.03976	4.7
317.13571	1.3
331.06168	40.0
333.04111	7.7
343.06277	2.0
357.04041	4.5
373.07285	6.4
375.05151	91.9
399.05106	18.5
401.02948	2.4
417.06229	34.9
443.04160	4.6
517.26477	1.5
553.07855	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	551.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65088	1.1
54.61592	1.1
54.82704	1.4
59.01394	1.6
61.53612	1.3
65.00326	6.5
78.95897	2.4
91.01914	5.8
92.92819	2.9
93.03462	19.4
119.01379	22.0
121.02949	32.3
134.03725	12.9
135.04553	1.8
137.02440	2.1
147.00879	39.6
149.02438	43.8
150.03180	6.0
152.99507	1.8
153.01935	1.5
163.04030	5.4
164.04753	10.0
165.01886	10.8
175.00314	6.7
176.01068	1.7
177.01836	2.5
177.05504	2.1
190.02705	2.1
191.03528	3.2
191.07216	3.6
193.01347	3.5
205.05061	7.9
208.03769	5.8
223.06113	10.4
263.09250	1.9
271.22867	6.8
291.25443	1.6
305.14041	1.9
319.15286	2.3
333.17313	1.8
361.20514	2.1
375.21603	5.0
385.23895	3.2
403.25204	2.0
429.22659	2.5
445.25934	6.6
447.24231	5.5
459.27652	33.1
462.26370	57.5
477.28629	100.0
521.27533	15.9
536.30029	2.2
544.06244	1.8
551.32404	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
56.37112	0.1
59.01384	17.1
64.67818	0.2
69.61347	0.1
71.01375	2.5
71.01649	0.1
72.99283	0.3
73.02949	0.7
78.57752	0.1
79.80644	0.2
83.01385	0.3
85.02970	0.8
89.02441	2.9
92.92796	0.1
93.60799	0.2
101.02453	3.6
106.04591	0.2
113.02441	1.4
115.49006	0.2
119.03522	0.3
121.02921	0.3
132.56389	0.2
136.59511	0.1
139.60104	0.2
142.63036	0.1
143.03467	0.2
147.00957	0.3
152.99550	0.2
156.16299	0.2
159.81429	0.2
161.04553	1.1
169.12836	0.2
179.05614	0.3
235.08229	1.9
253.09319	9.1
255.23329	100.0
256.23621	0.7
311.48096	0.2
378.95950	0.2
380.05081	0.2
491.32306	0.6
551.31995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.3
59.01381	13.3
71.01384	2.3
73.02945	0.5
74.72684	0.2
77.71910	0.3
78.95904	0.3
82.12196	0.2
85.02960	0.4
89.02438	2.7
92.10774	0.5
92.92806	0.5
101.02442	3.0
109.68649	0.3
113.02486	0.5
119.03508	1.1
131.15038	0.3
152.99622	0.3
154.06166	0.3
161.04530	0.6
179.05669	0.3
211.56194	0.3
223.32509	0.3
235.08270	1.5
253.09306	9.1
255.23314	100.0
256.23672	0.5
491.32068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47037	0.6
52.01007	0.8
53.93801	0.7
59.01386	10.5
65.00337	3.9
89.02434	1.7
90.99876	0.8
91.01890	6.7
93.03457	21.8
95.05019	0.9
109.03712	1.0
113.02426	1.0
114.89684	0.8
116.92871	10.2
119.01389	20.7
121.02947	36.0
121.03840	1.2
131.01370	1.8
131.51245	1.0
134.03719	5.9
135.04488	1.4
137.02420	4.3
147.00896	49.8
147.02084	1.9
147.04529	0.9
149.02448	27.5
150.03201	4.2
151.03844	1.3
152.01151	2.0
163.03957	8.3
164.01118	2.1
164.04808	7.5
165.01941	15.2
175.00368	14.6
177.01872	6.1
177.05608	1.8
178.06314	3.3
188.08386	0.9
190.02740	13.9
191.03476	5.9
193.01421	4.1
194.02315	1.0
205.05096	21.1
208.03743	1.3
221.04575	1.5
223.06133	8.2
253.09291	4.5
255.23318	52.5
271.22797	20.0
277.10757	1.5
290.18884	1.1
305.13956	1.8
319.15512	1.1
333.17270	1.1
347.18622	1.5
347.25748	1.5
357.20792	1.4
360.19315	1.7
361.20230	1.7
375.21732	3.3
375.25891	1.2
385.23825	6.9
389.23172	1.7
401.23370	1.2
403.25073	1.4
429.22961	3.9
445.26074	5.5
447.23669	7.8
459.27628	26.2
462.26315	45.8
463.27017	4.0
477.28625	80.8
478.28949	1.2
521.27679	25.8
536.29730	8.0
551.32379	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	551.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83986	0.4
59.01388	2.2
65.00319	3.8
89.02467	0.8
91.01898	5.1
91.04018	0.9
92.10899	0.8
93.03458	15.4
95.05052	0.8
103.01868	0.5
105.03487	1.9
107.05019	0.6
119.01388	23.8
119.05034	0.8
121.02956	23.7
123.04523	0.7
123.81566	0.4
131.01378	0.7
133.02930	0.8
134.03729	0.9
135.04512	2.7
137.02444	4.0
139.03947	0.5
143.56184	0.4
147.00890	46.4
147.04520	0.7
149.02448	12.8
150.03239	0.8
151.03986	0.7
152.01169	0.9
153.02036	0.4
159.04420	0.5
161.02429	0.7
162.03264	0.5
163.04012	4.8
164.01125	2.1
164.04779	3.5
165.01933	13.2
175.00359	12.4
175.01732	0.6
176.01109	1.0
177.01917	3.6
177.05544	0.6
178.06387	1.1
179.07018	0.7
189.01942	0.5
190.02728	19.0
191.03526	7.8
191.07091	0.9
193.01462	2.0
194.02119	0.5
205.05078	33.6
208.03769	0.7
223.06209	2.2
225.22153	0.8
271.22812	16.8
273.11368	0.6
277.10800	1.0
295.22644	0.7
304.13364	0.5
319.15485	0.8
333.17380	0.7
340.47446	0.4
347.18689	1.8
347.26059	0.6
357.20499	0.5
360.19516	0.7
361.20044	2.2
373.23672	0.7
375.21655	2.0
375.25824	0.9
385.23782	3.3
389.23242	0.9
401.23212	1.1
403.24924	1.8
429.22913	4.5
431.24487	1.1
445.25909	1.9
447.23950	3.4
459.27646	8.0
462.26355	14.4
463.27161	4.3
477.28629	20.9
521.27563	25.6
528.74976	0.5
536.29999	5.2
551.32355	100.0
552.32996	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03847	20.7
53.54185	22.7
59.01390	26.9
70.64708	23.2
92.10165	54.5
92.65609	22.8
96.21820	21.1
98.98309	32.6
119.83282	26.6
155.98642	30.1
211.13438	47.4
212.29134	30.4
218.90475	31.0
225.85478	26.7
256.24472	26.7
307.19189	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	551.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14460	10.2
56.82770	12.2
60.32198	11.7
62.59312	12.4
63.22409	12.9
64.22422	12.5
64.96471	11.5
65.38538	11.2
65.54951	10.6
67.27491	10.6
73.83154	12.6
78.64487	15.0
85.88799	11.8
88.77689	12.9
108.50250	13.2
132.37042	15.3
149.14517	13.6
209.11905	20.3
237.51907	14.5
254.56822	14.0
279.23373	16.3
291.19650	59.5
309.20755	100.0
442.30405	14.7
448.95404	15.1
539.24731	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.308
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
51.57030	1.1
57.03463	5.9
59.01387	73.5
61.98841	5.7
68.33759	1.4
71.01379	24.1
72.99300	2.2
73.02968	2.1
77.18547	1.4
83.05047	1.6
85.02962	7.3
88.85703	1.5
88.98785	1.7
89.02436	28.8
95.01363	1.4
101.02457	17.5
108.96467	1.3
113.02458	9.7
119.03524	10.0
125.09686	1.3
129.53168	1.3
144.51976	1.5
166.92647	1.4
171.10262	9.9
179.05580	5.6
237.05750	1.7
251.07066	3.0
296.10687	11.4
301.25140	1.5
311.13062	2.0
341.23407	12.0
346.49939	1.3
353.23422	3.1
359.24414	5.2
371.24344	2.7
456.08383	1.7
521.29913	5.8
533.29999	2.2
551.30847	100.0
552.31177	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	551.3083
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
52.74733	0.7
55.01886	1.5
57.03453	20.8
59.01383	100.0
61.98838	1.4
67.34817	0.6
71.01380	17.6
73.02931	6.8
81.03481	0.8
82.39178	0.8
83.01391	5.3
85.02948	11.4
85.87006	0.7
87.00861	0.8
87.04512	1.1
89.02460	4.0
95.01384	1.0
99.00877	1.3
99.04517	10.9
99.33832	0.8
101.02435	19.1
109.06582	6.3
111.00855	1.1
111.04530	0.8
113.02445	8.2
123.08144	1.4
125.02432	4.0
135.08163	4.7
137.02466	1.1
138.06886	1.1
143.03435	0.8
153.09229	9.9
161.04564	3.1
187.13451	1.6
201.11345	7.8
204.81490	0.8
231.12405	9.4
233.18228	0.8
275.20157	1.2
319.17633	1.6
349.18704	1.0
371.05603	3.3
371.20712	1.6
390.68250	0.9
437.25323	1.7
515.25000	7.1
533.29718	7.8
551.30835	96.4
552.31110	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	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
64.71121	0.4
71.01372	0.8
73.99233	0.4
78.95910	0.7
79.55746	0.5
79.95737	0.5
85.02946	0.5
89.02460	0.5
92.10760	0.5
96.96012	38.4
96.97002	1.6
97.95943	0.9
98.94946	0.9
98.95593	24.0
98.96430	3.1
99.00887	1.7
116.92852	0.5
155.47905	0.5
166.06252	0.7
179.12932	0.5
181.08716	0.6
223.07751	1.0
224.08511	0.5
237.05511	0.6
239.07169	9.2
241.08734	0.7
251.07118	5.6
252.07970	1.1
253.08717	10.6
254.09441	1.9
265.08713	5.1
267.10168	1.1
284.10565	42.8
295.09872	1.7
296.10535	22.4
299.12915	90.4
300.13171	1.8
308.93631	0.5
311.12933	43.2
329.14120	1.7
359.24500	0.7
371.24417	0.6
389.25555	1.8
410.16388	0.5
486.85593	0.6
551.30774	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.16666	1.0
59.01382	18.7
61.98831	2.3
62.79533	0.8
64.34439	1.0
71.01383	11.8
73.02940	6.1
83.01396	1.5
85.02947	6.3
89.02438	1.8
93.03456	4.3
95.01376	1.1
96.65736	0.9
99.00870	11.2
99.04482	1.2
101.02444	4.5
106.04247	13.6
107.05029	24.9
108.02159	4.2
111.04531	1.3
113.02429	4.4
113.99570	1.2
115.00349	6.0
119.05004	1.5
121.02953	4.0
137.02464	1.0
162.52080	1.0
174.01678	16.7
182.02171	1.6
213.09233	100.0
227.10574	1.5
257.08173	1.1
271.05832	1.5
299.09360	1.6
299.12732	1.1
329.13953	2.0
398.45694	0.9
551.17755	87.2
551.30847	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	551.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77423	0.9
53.92674	0.8
57.03452	2.4
59.01382	21.4
61.98820	2.5
71.01381	17.0
73.02961	6.8
83.01395	1.9
85.02966	6.1
85.16519	1.1
87.00880	1.9
87.96767	1.1
89.02443	5.0
92.10159	1.9
93.03460	2.4
97.02982	1.1
99.00880	12.0
99.01421	1.1
101.02449	6.5
106.04240	15.2
107.05027	35.1
108.02164	4.4
109.02987	1.5
113.02444	2.6
113.99644	1.4
115.00367	10.8
119.04974	1.4
121.02950	7.2
131.03474	1.3
140.83540	1.2
147.24098	1.2
150.03191	1.7
174.01703	26.8
182.02180	1.7
213.09232	100.0
257.08191	2.6
302.72522	1.1
316.90640	1.2
329.14044	1.7
419.13611	2.0
423.14920	1.1
455.13873	1.6
455.39362	1.3
551.17767	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0988
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
54.06203	0.2
63.02394	3.2
63.02677	0.2
65.00327	2.9
72.38896	0.2
83.01406	1.0
95.51674	0.2
107.01398	4.5
108.02216	0.3
130.04218	0.2
132.02197	0.3
149.02467	1.4
149.06055	0.7
151.00368	4.8
155.05032	1.2
158.03726	3.5
160.01692	0.4
173.06068	6.2
175.04060	0.8
179.05045	2.5
181.06606	0.2
193.06564	0.2
195.04506	0.9
197.06148	0.8
217.05006	1.6
219.04597	0.3
221.06137	2.6
223.04036	3.4
231.08186	0.3
233.06131	0.4
235.07678	0.2
245.06134	0.3
247.04088	0.3
247.48282	0.2
258.06717	0.3
259.07663	0.4
261.05594	0.8
263.07162	1.0
275.07260	0.3
277.05054	0.9
286.06305	0.2
287.07211	1.0
289.05280	0.7
302.05655	0.2
303.06802	0.9
305.04623	6.6
307.06161	14.6
309.03955	0.4
319.06250	1.0
329.04608	0.7
330.05353	0.8
331.06158	34.5
332.06393	0.2
333.04077	7.3
347.05563	0.9
357.04080	0.3
374.04251	1.3
375.05142	100.0
376.05423	1.4
399.04962	1.5
401.03262	0.2
454.47141	0.2
519.07001	0.3
551.09924	64.0
552.10272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51918	0.1
59.01382	0.3
61.98835	100.0
63.90144	0.1
63.97712	0.1
71.15842	0.1
80.69273	0.1
85.89159	0.1
92.10714	0.1
96.57920	0.2
113.22778	0.1
117.92803	0.2
134.47165	0.2
138.39787	0.2
164.47795	0.2
203.13210	0.2
219.24474	0.2
238.39194	0.2
251.20114	1.1
252.20586	1.7
253.20810	1.0
254.21036	0.3
409.42639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99924	0.2
59.01385	0.5
61.98832	100.0
69.85975	0.3
71.36382	0.2
82.36297	0.2
116.92828	0.4
163.51799	0.3
234.89261	0.2
236.58679	0.2
250.60501	0.2
251.20079	0.9
252.20618	1.7
253.20798	0.9
254.21021	0.4
255.09819	0.3
352.77362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82545	0.2
55.01883	0.2
57.03447	0.2
59.01389	1.7
64.34547	0.2
65.81964	0.1
66.36483	0.1
71.01369	0.7
71.68941	0.1
72.99300	0.2
73.02940	2.9
84.19324	0.2
86.17828	0.2
88.98792	0.4
89.02445	0.2
92.10098	0.4
95.64676	0.2
97.69179	0.2
99.00858	1.5
99.04518	0.4
99.92580	8.3
101.02457	0.8
107.01377	0.3
116.92859	100.0
117.01918	4.2
117.92870	0.9
118.15896	0.2
119.05018	1.0
128.16304	0.2
151.00340	0.4
206.98114	0.3
256.71628	0.2
271.06168	2.0
313.67859	0.2
329.01926	0.3
551.30841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53674	0.8
55.85261	0.8
58.02975	13.3
58.99595	2.1
59.01384	1.7
61.98843	2.0
66.03497	0.9
70.02982	1.2
71.01372	1.8
72.00909	1.8
74.02469	21.7
74.02846	1.2
81.04587	1.1
82.02983	3.5
83.01358	0.9
86.02466	8.8
86.06137	1.2
86.99107	1.5
87.05644	6.0
88.04040	1.2
97.04062	4.4
99.05646	22.4
101.07219	4.7
102.05610	1.9
106.06622	1.5
109.04078	5.2
111.05706	1.0
112.04036	2.3
116.01715	1.4
123.05640	4.0
125.03584	1.8
127.05154	4.3
128.03539	63.0
135.05637	9.0
141.06686	5.9
143.04633	83.7
145.06178	4.0
146.04605	9.3
153.06712	4.0
160.00760	18.3
166.09871	3.9
167.04608	5.4
167.08238	1.9
170.03337	1.3
177.03378	5.9
179.04655	17.9
181.06142	1.5
184.10945	1.1
185.05644	1.7
197.05678	1.1
210.08870	16.0
228.09877	1.9
230.64584	1.0
242.07785	1.4
253.73111	0.9
254.07816	17.3
272.08890	25.8
288.06631	6.1
304.06067	1.3
306.07690	100.0
307.07852	1.1
332.09369	2.3
457.08417	1.0
534.92627	0.9
550.20789	11.7
550.28711	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	549.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.2
62.77071	0.3
69.70484	0.3
71.01373	2.7
71.30372	0.3
72.96217	0.3
73.02967	0.5
73.26990	0.3
78.95921	0.5
83.01412	0.4
85.02966	0.5
88.04188	0.3
89.02441	2.6
101.02415	2.9
109.02606	0.3
113.02451	1.2
119.03517	0.6
139.89841	0.3
152.80899	0.3
152.99596	0.3
161.04533	0.6
235.08318	1.4
253.09358	10.0
253.21764	100.0
254.22131	0.7
257.23514	0.3
316.16962	0.3
386.34604	0.4
390.99130	0.4
423.80112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43736	0.2
53.37455	0.3
58.04682	0.3
59.01385	0.3
61.98837	0.3
78.70222	0.3
90.75468	0.3
91.38867	0.3
167.14439	0.6
183.13905	10.9
193.12346	2.0
201.05594	0.3
211.13423	100.0
212.13683	0.6
315.12564	0.3
355.54184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80222	0.6
59.01385	1.0
60.45677	0.7
61.98831	100.0
92.10097	0.8
119.05043	4.2
120.05386	1.1
148.52754	0.7
163.03987	3.3
164.04367	1.4
167.60207	0.7
323.77713	0.7
409.20856	0.8
548.05676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22638	0.1
57.03448	0.2
59.01380	0.8
78.95905	2.3
79.95734	1.6
96.96007	100.0
96.96885	3.6
101.02442	0.2
118.33827	0.1
123.34018	0.1
167.10655	0.1
171.01135	0.1
201.03540	0.2
260.78125	0.1
265.60486	0.2
275.97742	0.2
291.20520	0.2
295.55606	0.2
344.91437	0.1
357.54803	0.2
439.61877	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	549.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34482	0.6
59.01382	12.2
61.98846	0.5
71.01384	1.3
71.03888	0.4
78.95890	1.0
86.04145	0.5
89.02475	2.2
96.96008	0.6
100.15134	0.6
101.02455	2.2
111.69462	0.5
119.03487	0.6
152.99669	0.8
161.04607	0.6
172.67328	0.5
198.65054	0.5
253.09357	7.7
253.21754	100.0
254.22003	0.8
285.33197	0.6
333.08072	0.6
456.09381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12432	1.4
55.22073	1.7
57.03452	100.0
59.01382	66.6
68.86251	1.6
71.01381	31.5
72.99327	1.9
73.02949	21.7
81.03457	2.7
83.01392	3.7
85.02946	3.5
89.02444	18.5
89.16566	1.8
92.10812	2.1
99.04505	52.7
101.02438	39.7
106.35989	2.0
111.00787	1.8
112.05316	2.1
113.02417	12.9
113.06039	2.1
119.03488	9.8
123.04512	11.3
125.02431	26.7
131.03444	2.2
134.07413	2.6
143.03467	2.4
147.47337	1.8
149.04388	1.9
149.09720	47.5
161.04601	2.7
167.09485	3.1
167.10788	48.6
175.30170	1.9
179.05702	4.1
222.92996	2.5
225.14920	7.4
369.11981	2.1
386.18793	2.1
387.20084	2.9
405.21222	8.2
447.22415	4.1
464.89984	2.1
547.04962	2.1
549.25500	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	549.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65365	0.8
57.03456	100.0
59.01384	59.6
61.98836	1.4
71.01372	23.1
72.99346	1.0
73.02951	18.6
81.03465	1.4
83.01395	5.3
85.02968	5.6
85.99916	0.9
87.00845	1.2
89.02440	18.9
95.01414	1.5
96.65964	1.0
99.00877	1.3
99.04520	55.9
100.92616	1.0
101.02448	34.8
112.05334	1.5
113.02465	10.0
113.06092	4.0
116.92845	10.5
117.92878	5.4
118.92679	5.4
119.03507	5.8
119.05025	23.9
123.04523	6.6
125.02441	26.9
134.07384	5.8
137.09760	2.3
143.03517	4.0
149.09743	52.3
153.09244	5.8
161.04573	5.6
163.04044	15.9
167.10791	56.7
171.10243	1.1
179.05652	1.4
207.13892	1.1
220.53128	1.0
221.06650	1.3
225.14999	7.5
225.61371	1.0
298.17731	1.1
387.20233	1.9
397.67117	1.0
405.21368	12.5
447.22388	7.4
505.26511	4.4
523.15820	1.1
549.25684	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
56.22963	1.3
57.03456	100.0
59.01386	91.2
61.98843	6.1
71.01382	37.6
71.01772	1.5
72.99327	1.4
73.02937	14.1
74.51479	1.1
74.71117	1.3
81.03477	6.6
83.01424	5.1
85.02968	14.4
86.17582	1.1
87.00936	1.2
89.02439	27.6
95.01392	2.1
96.96008	1.4
99.00906	1.4
99.04518	79.7
101.02444	40.2
112.05323	1.6
113.02445	16.4
116.92837	2.1
119.03504	9.6
123.04529	2.4
125.02448	39.9
125.09706	2.0
143.03513	7.0
149.04500	1.6
149.09744	20.2
153.09244	4.5
161.04585	6.4
166.06387	1.8
167.10776	26.4
179.05623	5.3
225.14999	2.2
243.15944	2.7
376.35666	1.2
387.20477	19.4
405.21420	27.1
447.22580	8.5
505.26608	2.2
549.25806	33.2
550.25720	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	549.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12323	2.1
52.43940	2.2
55.01885	3.1
57.03453	68.4
59.01385	100.0
61.98841	11.1
63.04702	2.0
64.44878	2.2
71.01376	44.2
73.02950	18.5
75.00868	5.1
83.01398	11.6
84.50726	2.6
85.02973	4.4
87.00902	4.9
89.02444	28.7
96.96012	5.9
99.00904	3.4
99.04523	33.9
99.92599	3.8
101.02444	37.7
112.99454	2.4
113.02440	17.1
113.26937	2.4
116.92847	30.3
119.03516	10.2
125.02460	19.2
143.03548	3.9
161.04597	3.0
165.12924	2.5
177.03986	3.5
207.13870	3.3
226.08984	2.3
233.51549	2.3
243.16046	5.4
338.22775	2.7
369.13678	4.1
381.13446	5.5
387.10803	3.6
387.20279	9.3
405.21344	41.2
447.22574	10.0
543.52344	3.1
549.26141	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	549.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01382	86.8
59.01653	4.8
64.24530	2.8
66.98092	3.3
68.12312	2.5
71.01369	30.1
71.20055	3.1
73.02947	3.3
82.95420	3.8
84.01046	3.5
85.02978	7.7
89.02479	2.9
96.96020	4.5
99.04518	61.6
101.02408	28.1
113.02445	6.7
125.02457	42.8
143.81195	3.1
143.96201	3.3
144.59875	3.1
158.74675	3.6
161.04533	7.2
192.11586	4.2
203.05586	5.7
206.31058	3.3
207.13890	46.7
327.21796	16.2
498.41696	3.1
513.23517	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44723	0.1
52.14925	0.1
52.19791	0.1
59.01382	0.6
61.98833	100.0
72.91559	0.1
92.10796	0.4
105.20166	0.1
146.32634	0.1
230.96005	0.1
249.18517	1.0
250.18896	1.3
251.19254	0.5
252.19548	0.2
254.61713	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	549.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05803	0.2
58.98268	0.2
61.98836	1.5
77.03976	1.9
80.96546	0.3
89.59129	0.3
114.54443	0.3
121.02951	100.0
137.02464	0.3
152.99615	0.3
165.01935	31.1
180.05861	0.5
181.06647	2.6
197.06053	2.8
207.04546	1.4
225.05623	1.2
257.09799	1.0
292.24582	0.3
303.70056	0.3
313.07199	1.2
333.04327	0.3
357.06262	0.5
393.21393	0.3
417.10046	1.4
505.11273	1.1
549.10474	20.6
549.23895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01384	1.2
65.89056	0.3
71.01376	2.9
72.14517	0.2
72.99310	3.5
73.02943	1.8
75.00874	0.5
81.03442	0.5
85.02948	5.4
85.69930	0.3
87.00878	4.6
89.02445	0.4
91.68433	0.2
95.01398	0.3
97.02936	1.1
99.00887	5.7
99.04534	0.3
101.02435	4.2
101.42229	0.2
109.02949	1.2
111.00870	2.3
112.01194	0.6
113.02387	0.4
117.01910	2.5
125.02426	1.1
127.04009	1.0
129.01941	9.0
135.02992	1.7
143.03464	0.4
147.02982	1.1
154.66052	0.3
189.04105	1.7
205.03600	0.5
207.05118	100.0
208.05463	1.1
334.82028	0.3
478.06485	0.3
530.99939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82285	0.7
57.03445	6.4
59.01385	17.6
61.70293	0.7
61.98824	1.0
65.00333	1.4
65.75185	0.8
71.01392	1.9
73.02960	1.1
78.37373	0.8
80.51959	0.7
83.01366	1.3
89.02448	1.8
89.89690	0.8
93.03456	1.8
97.06596	0.9
99.04522	3.5
101.02463	3.7
107.01397	5.1
119.05019	10.8
121.02954	3.4
125.02436	3.4
136.82549	0.8
145.03004	1.1
146.93134	0.8
148.05226	0.9
149.06113	1.1
151.00369	13.6
161.06102	3.7
173.08243	0.8
220.28900	0.8
238.09927	1.8
241.05000	0.9
253.05115	1.2
253.08978	1.2
264.07837	1.4
265.08771	5.4
266.09503	1.8
271.06171	26.3
277.08698	1.3
278.09570	3.9
281.08258	8.8
282.09009	48.5
282.12167	1.6
292.07553	1.2
293.08368	7.4
294.09082	10.2
297.11359	100.0
309.11389	13.8
327.12469	4.8
426.66907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51751	1.2
57.03442	13.1
59.01377	30.9
61.98835	2.1
66.39045	1.3
70.68487	1.6
71.01380	13.8
73.02911	1.5
82.95377	1.4
85.02957	9.6
86.30685	1.4
87.00867	1.7
89.02448	3.7
91.05514	1.8
92.10743	3.0
93.03466	6.5
96.96000	2.3
99.04508	6.6
101.02457	6.6
104.87278	1.6
105.03474	2.3
105.26898	1.5
107.05029	6.3
113.02452	1.7
121.02961	11.3
123.04484	6.4
125.02454	2.1
134.03722	17.2
135.04521	20.6
145.02956	1.6
146.03732	7.6
147.04520	3.5
149.02449	6.8
149.06042	3.4
150.03218	7.8
159.04526	2.3
162.03163	2.0
163.04034	25.9
164.04782	5.9
165.05531	11.5
179.07101	6.4
187.11818	1.7
189.05565	3.4
193.01451	2.9
193.05037	2.0
194.02075	5.7
207.03012	23.5
208.03740	6.8
209.04510	3.3
217.04964	2.0
223.05980	2.3
241.04892	1.6
242.36920	1.7
255.06625	6.1
256.07333	5.6
257.08185	2.0
263.07285	2.5
264.07913	3.2
267.06696	3.7
269.08240	2.5
271.09814	6.9
275.06830	1.8
276.08231	2.1
279.06818	2.0
280.07440	1.8
281.08191	15.4
282.08942	3.0
283.09695	9.8
291.06781	3.8
292.07480	14.6
293.08304	11.1
294.04987	1.6
295.09875	3.9
296.10574	16.4
297.11282	2.9
307.09607	2.4
308.10440	9.3
311.12860	12.7
321.07825	2.8
323.09274	3.2
336.10031	3.4
339.08691	3.0
351.08804	30.1
351.12665	6.3
354.11111	12.4
365.10437	6.3
366.10986	26.7
369.13492	82.0
381.13452	100.0
387.10959	14.2
399.14575	8.1
405.21194	2.2
405.47665	1.9
549.15942	3.6
549.29431	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	547.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.2
57.03474	0.1
59.01383	19.7
61.98831	0.1
67.32056	0.1
71.01377	2.9
73.02950	0.9
83.01402	0.3
85.02959	0.8
87.00891	0.5
89.02435	3.2
92.64922	0.2
95.01392	0.2
97.02940	0.1
99.00842	0.2
101.02443	3.4
113.02435	1.4
119.03497	0.7
127.95908	0.2
129.12206	0.1
131.03516	0.1
133.05069	0.2
141.65837	0.1
143.03520	0.1
161.04582	1.4
179.05687	0.2
222.03853	0.1
226.81042	0.1
233.19048	1.2
235.08246	1.3
251.20187	100.0
252.20496	1.0
253.09303	9.4
290.66177	0.1
487.29233	0.2
498.86954	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	547.313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82828	0.2
55.01876	0.2
59.01381	15.8
61.98835	0.2
64.43185	0.2
71.01378	2.8
73.02946	1.0
73.69830	0.2
78.66203	0.2
83.01376	0.2
83.05053	0.2
83.49537	0.2
85.02968	0.5
87.00870	0.3
89.02444	2.8
95.44921	0.2
101.02441	2.9
113.02448	1.5
119.03510	1.0
133.05077	0.3
143.03455	0.2
143.56567	0.2
161.04590	1.1
233.19194	1.5
235.08298	1.5
251.20183	100.0
252.20508	1.2
253.09283	10.1
487.29092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
59.51097	0.1
61.98832	100.0
65.34366	0.1
65.44955	0.1
66.57137	0.2
71.07300	0.2
92.10134	0.4
98.27596	0.2
109.37243	0.2
125.75476	0.2
143.44608	0.2
161.18895	0.2
180.37984	0.2
187.01984	0.2
249.18613	0.7
250.18959	1.2
251.19267	0.4
252.19313	0.3
351.25674	0.2
414.40417	0.2
419.90485	0.2
444.73749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49847	20.6
59.01389	100.0
61.98848	46.5
63.35229	21.4
71.02984	22.1
75.01595	27.6
97.77798	26.2
110.17297	22.4
110.36426	22.6
134.10735	26.0
219.45979	27.5
256.20547	25.1
386.86685	29.0
453.88300	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83208	0.8
55.01875	1.3
57.03455	94.5
59.01385	100.0
61.98837	4.8
65.31165	0.9
66.90491	0.8
67.23219	0.8
71.01385	29.3
71.17348	0.9
73.02946	10.7
80.96581	0.9
81.03471	3.9
83.01402	5.7
85.02952	8.7
85.03391	0.8
85.46233	0.8
87.00881	1.4
89.02442	23.7
89.48734	0.9
93.03521	0.8
94.98126	1.0
95.01393	1.9
96.96026	3.6
97.06643	0.9
99.00890	0.9
99.04513	58.2
101.02448	28.7
113.02444	12.4
114.93419	1.0
116.92866	12.2
119.03486	7.1
119.04990	0.9
123.04525	3.5
125.02444	22.9
139.07625	1.1
139.11327	1.7
143.03532	5.0
149.09714	6.2
153.09142	1.2
161.04541	4.2
167.10780	7.2
175.02530	1.0
179.05571	2.0
179.10825	3.5
205.12325	6.4
223.13441	5.1
263.69247	0.9
385.18811	4.1
403.19806	19.3
445.21002	13.6
485.23798	2.1
487.25558	1.2
503.24838	3.5
547.24097	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35402	1.9
57.03196	4.1
57.03458	76.3
57.03719	4.6
59.01388	100.0
61.98824	3.1
66.29130	2.5
71.01383	36.2
73.02962	16.4
79.12288	2.8
81.03460	4.6
81.03954	2.5
83.01392	4.1
83.05050	3.4
85.02942	10.0
89.02447	25.7
96.96019	29.6
99.00866	3.2
99.04534	46.3
101.02452	28.9
113.02474	11.2
114.39056	2.4
119.03507	13.8
123.04453	2.8
123.08099	2.9
124.83210	2.5
125.02434	15.9
161.04500	10.1
179.10715	3.8
205.12274	4.4
213.65710	2.9
223.13503	4.5
260.08688	2.5
385.18680	3.6
403.19638	15.1
445.20776	10.5
547.23883	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	547.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01385	89.8
59.01687	1.6
61.98840	2.2
71.01376	35.6
71.01724	1.9
73.02937	31.8
79.05529	1.7
81.03451	4.9
83.01396	7.9
85.02962	7.4
89.02445	21.5
95.01389	2.0
96.95982	2.5
99.04520	60.8
101.02441	43.9
101.03091	1.7
104.51710	1.3
109.06593	1.5
113.02446	18.1
113.06075	6.0
119.03487	9.2
123.04524	22.1
125.02445	25.6
131.03558	3.1
141.05571	4.5
143.03503	7.6
149.04515	2.2
161.04556	8.0
165.09319	1.4
179.05644	2.1
192.02823	2.3
223.13142	1.3
403.19873	1.4
457.20996	1.5
519.78967	1.4
547.24207	53.1
550.18347	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	547.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18970	0.7
55.01891	1.7
57.03452	79.9
58.00602	0.9
59.01382	100.0
61.98827	6.2
69.03444	1.1
71.01376	40.8
71.09270	1.0
72.99308	1.3
73.02939	32.8
75.00857	1.6
78.95900	1.2
79.05538	1.1
81.03446	3.9
83.01384	9.4
85.02943	10.7
87.00861	5.1
89.02439	28.9
92.10744	1.2
95.01381	1.8
96.96009	4.4
97.02956	1.6
97.06566	2.2
99.00878	1.3
99.04514	50.6
101.02433	49.7
109.02994	1.8
109.06570	1.4
111.69661	0.9
113.02453	22.1
113.06092	5.1
115.00354	8.5
116.92836	1.3
119.03493	11.7
121.02927	1.5
123.04520	20.5
125.02430	28.9
125.06068	4.7
131.03500	3.1
141.05556	4.4
143.03505	4.3
149.04507	2.1
149.06003	1.2
151.07680	2.0
153.05606	1.8
153.09200	5.1
157.01427	0.9
161.04568	18.9
164.04829	2.3
165.09195	22.9
175.02490	6.7
179.05638	9.6
179.10771	6.9
183.10182	1.1
205.12395	8.6
221.06693	1.6
223.13312	2.1
235.08035	1.0
241.14569	1.1
263.07700	5.8
268.52478	1.0
297.36664	1.1
319.46817	1.1
323.10004	7.9
347.14771	1.0
349.20248	6.8
385.18655	4.7
403.19843	4.7
427.19473	1.5
487.25839	1.7
503.25034	5.3
547.23993	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10434	0.2
59.01387	1.5
59.92367	0.2
72.13258	0.2
89.15874	0.2
113.02433	0.3
116.92877	1.9
117.03477	1.1
119.05022	100.0
120.05328	0.5
123.75983	0.2
133.06657	0.3
145.02960	5.4
146.43451	0.2
161.06108	0.9
163.04015	91.8
164.04343	0.5
164.70293	0.2
169.22023	0.2
186.86353	0.2
205.05180	0.9
228.84258	0.2
325.09314	27.1
485.66327	0.2
533.43872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.4
61.85823	1.5
61.98841	2.3
69.03487	1.8
69.98289	2.1
71.01376	3.1
73.02970	3.3
83.22797	1.6
85.02950	39.1
85.03391	2.4
88.70460	1.7
88.74557	1.8
88.98833	2.1
89.02451	3.5
96.95996	7.9
109.84721	1.9
111.00906	1.8
116.92840	2.4
119.04991	2.7
121.02905	2.3
126.22035	1.9
134.03737	67.4
134.04703	3.2
135.04582	3.2
136.01665	37.1
137.02461	11.5
139.04019	2.7
146.03723	2.6
147.04517	16.1
148.05325	14.8
149.02463	8.6
149.06073	25.4
150.03285	2.9
151.04024	44.9
162.06848	3.2
163.04126	3.1
164.04869	2.6
165.05574	2.6
175.04033	8.4
176.04822	9.3
178.02731	53.2
178.06316	2.2
179.95702	2.4
187.04134	2.7
188.04782	3.9
191.07176	8.1
193.05074	100.0
203.07158	3.2
205.05124	25.3
206.05882	19.3
208.03773	2.8
211.06348	2.5
220.07428	26.0
221.08235	43.9
223.06123	7.7
232.07379	2.6
248.68520	2.3
301.10794	6.9
371.19421	2.1
457.17294	37.1
487.14658	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.4
61.85823	1.5
61.98841	2.3
69.03487	1.8
69.98289	2.1
71.01376	3.1
73.02970	3.3
83.22797	1.6
85.02950	39.1
85.03391	2.4
88.70460	1.7
88.74557	1.8
88.98833	2.1
89.02451	3.5
96.95996	7.9
109.84721	1.9
111.00906	1.8
116.92840	2.4
119.04991	2.7
121.02905	2.3
126.22035	1.9
134.03737	67.4
134.04703	3.2
135.04582	3.2
136.01665	37.1
137.02461	11.5
139.04019	2.7
146.03723	2.6
147.04517	16.1
148.05325	14.8
149.02463	8.6
149.06073	25.4
150.03285	2.9
151.04024	44.9
162.06848	3.2
163.04126	3.1
164.04869	2.6
165.05574	2.6
175.04033	8.4
176.04822	9.3
178.02731	53.2
178.06316	2.2
179.95702	2.4
187.04134	2.7
188.04782	3.9
191.07176	8.1
193.05074	100.0
203.07158	3.2
205.05124	25.3
206.05882	19.3
208.03773	2.8
211.06348	2.5
220.07428	26.0
221.08235	43.9
223.06123	7.7
232.07379	2.6
248.68520	2.3
301.10794	6.9
371.19421	2.1
457.17294	37.1
487.14658	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
60.65882	0.2
61.98840	100.0
126.06471	0.2
218.24176	0.2
449.10568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36200	0.6
61.98840	3.1
67.27276	0.7
78.95901	55.4
88.86153	0.6
96.96980	5.5
107.84430	0.6
150.98013	1.5
151.37566	0.6
152.99593	100.0
171.00632	3.1
187.55026	0.6
239.45052	0.6
261.38290	0.8
264.86200	0.7
291.41315	0.7
318.37027	0.7
398.73270	0.7
421.57434	0.8
434.03467	0.6
447.30899	0.6
459.25229	18.0
527.71436	0.7
546.28271	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	547.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
59.01387	6.3
61.98830	0.5
66.51934	0.2
71.01378	2.9
73.02946	2.4
75.00896	0.2
83.01385	0.5
85.02964	0.5
87.00885	0.4
89.02440	2.1
90.44350	0.2
92.10806	0.5
99.00876	1.4
99.04517	2.1
99.92588	10.2
99.93256	0.3
101.02452	2.2
113.02464	1.0
113.37991	0.2
115.00439	0.8
116.92862	100.0
116.97211	2.1
117.01938	3.0
117.05582	0.3
117.92892	1.3
119.03455	0.9
119.04955	0.4
125.02429	1.0
153.82054	0.2
158.41713	0.2
161.02423	0.5
161.04517	0.3
169.50873	0.2
175.02492	1.1
179.05602	0.5
179.10777	0.3
263.87439	0.3
308.29541	0.2
323.77713	0.2
328.13077	0.3
335.17554	0.2
390.71332	0.3
487.25568	0.5
511.21857	0.3
547.21832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1466
Annotation	Hemsleyanoside
Peak:m/z	Relative Intensity
51.75698	0.5
57.03461	2.8
59.01386	31.0
61.98838	3.5
71.01375	7.7
72.99335	1.1
73.02968	3.0
82.95444	2.5
83.01389	1.1
85.02949	5.5
87.00903	1.2
88.98817	0.9
89.02461	4.2
91.12150	0.7
92.66028	0.6
96.96005	1.0
99.00854	0.9
99.04568	1.0
101.02455	3.4
102.82645	0.6
103.04018	0.9
113.02456	1.3
117.03468	14.0
119.03524	0.9
119.05081	1.0
131.01413	1.2
136.83278	0.7
142.90094	0.7
143.04662	1.2
145.02945	0.9
149.02588	0.7
159.04607	0.7
163.04039	1.3
173.02406	6.9
175.00392	11.0
175.03998	0.6
194.65852	0.8
269.04623	3.4
281.04340	0.7
283.06171	4.8
293.04596	100.0
295.06238	0.8
311.05609	7.4
323.05701	2.6
335.05725	3.7
341.06808	0.9
341.29437	0.8
383.07788	64.6
388.74887	0.7
457.11740	0.8
547.14777	23.3
547.22839	1.5
567.97998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03460	4.3
59.01391	2.2
67.01907	4.1
67.02236	0.4
69.69884	0.2
71.01404	1.9
72.99325	2.0
73.02938	2.5
75.00890	0.5
76.81239	0.2
81.03474	1.5
83.01411	1.0
84.02187	1.3
84.22357	0.2
85.02964	13.2
87.00884	24.3
89.02448	1.6
99.00867	1.1
99.04526	2.1
101.02451	1.4
111.00891	100.0
112.01240	0.3
112.98802	1.0
113.02481	0.3
115.04029	0.5
125.02438	4.8
129.01945	0.9
130.99889	0.3
142.99831	0.4
143.03511	7.9
144.77437	0.3
145.01421	0.3
154.99910	0.4
160.04019	1.2
161.04489	0.5
173.00928	7.9
179.05685	0.3
181.93260	0.3
191.05623	0.5
197.17572	0.2
204.03253	0.4
205.03560	37.4
264.74826	0.3
341.10956	2.0
483.45316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27147	0.4
55.13058	0.4
57.03460	0.8
59.01387	10.8
71.01387	5.8
73.02955	1.0
83.01421	0.7
83.05021	0.7
85.02962	2.1
87.00879	0.6
89.02441	7.5
91.22333	0.5
96.87826	0.5
97.02973	0.6
97.06604	2.1
101.02450	7.2
113.02463	3.2
113.09739	2.8
115.07654	0.6
119.03484	2.0
119.05004	0.8
126.06848	0.5
137.09741	0.6
139.11293	1.2
141.09241	2.1
161.04550	2.9
165.12846	2.5
167.10745	0.7
167.14418	2.1
181.12331	3.4
183.13889	0.6
193.12347	2.0
193.16010	1.0
195.13913	3.1
199.47878	0.5
211.13460	2.6
213.14958	0.6
221.15442	2.0
237.90189	0.6
240.13757	1.0
247.20683	5.6
253.09312	15.2
263.20007	0.8
271.06131	2.2
273.18619	3.3
281.21103	2.0
291.19666	42.0
309.20740	100.0
310.20981	1.0
335.64209	0.5
470.27530	0.6
545.12360	0.8
545.29785	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	545.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90661	70.7
53.53973	56.3
59.01371	98.2
75.71748	77.5
87.34893	70.4
105.06149	70.9
108.51727	76.8
108.69878	74.7
126.87277	87.6
152.99617	100.0
307.80206	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00618	33.6
61.98843	51.7
62.58106	34.0
62.83671	34.2
92.66627	40.3
118.49008	38.2
120.75323	44.8
125.32892	48.9
138.65730	40.7
306.30072	42.9
313.13651	39.6
314.37817	45.5
545.12805	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	545.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03453	9.1
58.00611	2.3
59.01384	100.0
60.00127	0.5
61.98834	3.9
71.01381	34.3
71.01781	1.2
72.99323	1.1
73.02954	2.8
77.09683	0.5
79.62717	0.6
83.01414	3.2
85.02959	10.3
87.00868	2.3
89.02442	42.9
95.01379	3.0
96.95998	1.3
98.74683	0.5
99.00916	1.0
99.04517	5.3
101.02438	21.9
104.95051	0.6
111.00907	0.6
113.02441	12.7
116.92826	1.4
117.92844	0.6
118.63073	0.6
119.03495	15.1
125.02419	1.9
131.03542	1.2
133.73689	0.6
135.04471	0.9
143.03510	2.9
149.04486	0.7
151.07637	2.4
161.04585	4.7
163.07635	0.9
179.05615	14.0
179.10756	2.6
183.10269	11.7
187.11292	0.7
188.08470	0.7
190.30757	0.5
203.10808	5.4
213.12958	0.9
221.11852	6.9
227.14508	2.1
245.15498	53.4
253.09372	1.2
287.16534	9.5
345.15570	2.7
419.19342	5.6
425.21838	4.8
467.22952	18.2
485.24261	5.6
545.21729	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	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
58.00594	0.7
58.29445	0.6
59.01385	15.9
61.98866	0.9
63.67261	0.7
71.01376	8.2
78.95911	1.1
79.61749	0.7
81.03449	0.8
85.02964	1.2
85.30600	0.6
89.02444	8.2
97.02902	1.0
99.50791	0.6
101.02430	7.4
113.02456	4.7
116.80186	0.7
119.03506	0.8
119.05014	0.7
123.08202	0.7
125.09734	2.7
134.03773	0.9
136.01656	1.6
139.02681	0.6
141.12901	0.8
150.03123	0.8
151.00360	1.6
151.03993	1.3
161.04568	2.8
163.11279	5.0
165.12846	9.2
171.10294	1.0
179.14429	4.7
181.12402	2.8
185.11978	1.0
193.16006	2.6
196.18048	0.7
209.11882	1.6
223.13402	4.6
247.20671	13.0
253.09300	21.8
273.18573	5.9
275.78394	0.8
285.04102	1.2
286.04761	1.0
291.19690	97.2
292.19995	1.1
309.20758	100.0
327.66782	0.7
356.94391	0.7
383.11505	0.9
397.20630	0.8
421.12747	0.8
472.10583	0.9
509.21997	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	545.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73791	0.5
57.03464	1.0
59.01382	12.8
61.00624	0.6
61.98831	7.6
62.78237	0.5
71.01373	8.2
71.01662	0.5
73.02972	0.7
74.44160	0.5
83.01415	0.6
83.05003	0.6
85.02950	1.1
89.02432	9.1
97.06606	2.7
101.02442	8.3
113.02464	3.3
113.09769	2.4
115.07658	0.8
119.03511	0.9
121.02915	1.4
123.04514	2.4
126.06908	0.7
134.03680	0.6
135.04465	2.3
141.09232	2.6
149.06094	4.1
149.09616	0.6
151.07692	1.1
151.11250	0.7
161.04521	2.1
164.04860	1.1
165.05544	0.9
165.12865	3.8
167.10785	0.8
167.14441	2.9
179.05606	0.8
181.12358	3.7
183.13831	0.8
185.11896	0.7
195.13887	3.0
209.11963	1.0
211.13400	3.9
221.15512	2.8
229.14503	0.7
247.20758	5.6
253.09305	13.7
268.07452	2.2
269.08176	4.2
273.18683	4.6
281.21231	1.3
283.09763	1.4
284.10529	3.6
291.19696	42.0
309.20761	100.0
310.21036	0.9
316.09680	0.9
435.18039	0.8
491.20880	20.5
491.27414	0.7
509.21835	8.4
545.29889	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	545.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03164	1.6
57.03454	94.7
59.01382	100.0
60.36285	1.8
61.98844	10.2
63.96822	1.6
71.01375	40.8
72.99382	1.6
73.02943	18.1
75.00897	2.0
76.12876	1.5
76.57502	1.7
81.03455	2.7
83.01387	7.0
83.16989	1.5
85.02962	12.1
87.00909	2.7
89.02437	33.5
95.01385	2.1
96.96011	3.6
97.02906	1.8
97.36321	1.5
99.04507	64.7
101.02431	48.7
107.05091	2.3
111.04503	1.9
111.97340	1.7
113.02435	17.4
116.92824	2.6
119.03467	13.4
121.06572	4.1
123.04524	3.9
125.02434	39.3
127.33730	1.8
131.03543	2.2
134.03755	2.8
135.04465	6.7
135.08156	8.3
137.02415	2.0
139.07645	10.9
143.03552	2.8
147.08183	16.4
149.09691	2.3
161.04565	11.9
163.11313	2.2
165.09206	69.5
168.07881	2.5
171.08160	2.8
173.09721	7.2
176.08484	2.3
179.05559	7.3
179.10733	3.3
191.10793	54.7
192.79543	1.9
195.10248	12.0
198.08781	2.1
203.10832	2.7
209.11873	7.6
221.11812	11.5
239.12877	6.6
245.15515	9.5
277.24271	1.7
383.17181	3.9
399.16620	2.4
401.18201	10.0
442.66049	1.9
443.19418	14.2
467.22885	7.8
483.22363	3.1
509.20258	2.1
545.22510	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	545.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10592	1.5
57.03452	100.0
59.01385	76.8
61.98843	4.0
71.01390	35.3
71.94740	1.8
73.02947	27.2
79.05569	1.6
80.96535	7.4
81.03469	2.2
83.01411	8.7
83.05038	4.1
85.02982	9.8
86.01515	1.7
87.00894	2.4
89.02425	15.7
92.00558	1.7
95.05027	2.7
97.06581	4.3
99.04510	35.0
100.21193	1.7
100.43790	1.9
101.02440	41.0
108.23395	1.8
109.06615	2.1
113.02412	14.7
113.06105	4.0
119.03488	3.4
121.03010	2.7
122.03721	3.2
123.04523	21.6
123.08192	8.2
125.02426	19.7
135.04530	9.0
135.08127	2.5
139.07689	2.1
143.03496	2.4
149.02438	3.9
150.03276	15.0
151.07677	13.7
153.05583	3.8
158.09975	2.0
161.04550	14.6
161.05952	3.0
161.09650	3.4
163.07669	10.3
165.05510	15.5
177.09157	6.6
179.10777	20.5
180.07919	12.5
181.08664	6.8
187.11256	3.3
188.08446	2.7
195.06580	7.7
203.10788	23.9
205.12297	2.7
217.12436	2.2
219.13898	35.0
221.11850	23.2
225.00723	2.2
241.16322	2.1
287.16669	2.5
305.17618	12.3
315.12366	3.5
317.13940	15.9
323.18692	2.7
329.14044	8.1
347.14941	53.1
401.17789	3.2
509.20270	31.2
545.23340	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37038	1.2
51.48202	1.3
53.51929	1.2
57.03455	100.0
59.01384	80.4
61.98833	7.0
62.65324	1.3
71.01385	36.3
71.08157	1.2
73.02946	29.5
75.62537	1.3
75.92264	1.2
79.05531	1.4
80.96523	3.4
81.03463	3.0
83.01393	11.1
85.02964	10.4
87.00872	2.0
89.02437	22.9
95.01405	1.7
95.05051	2.7
97.06573	6.1
99.04515	55.4
101.02441	49.1
103.89472	1.4
109.06570	1.7
113.02450	19.7
113.06089	3.3
119.03487	10.1
121.02904	1.9
122.54821	1.5
123.04528	23.3
125.02457	25.1
135.04529	2.4
135.08189	1.6
141.05621	1.9
143.03525	3.1
147.29710	1.5
149.02394	2.0
149.04533	2.8
149.09676	1.5
149.19562	1.5
149.56055	1.5
150.03246	3.0
153.05585	2.1
161.04556	12.7
161.05960	2.6
163.07678	2.7
165.05605	3.3
166.91611	1.6
177.09187	2.2
179.05560	2.9
179.10823	14.6
180.08000	3.0
192.52063	1.7
205.12401	1.6
221.11923	2.8
269.15735	1.7
305.17566	6.4
315.12451	1.8
317.13943	3.6
347.15060	11.2
497.94336	1.8
501.23431	1.9
509.20276	13.2
545.22974	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	545.167
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
51.47281	0.9
55.09130	0.9
57.03460	6.1
59.01395	10.5
60.81108	1.0
61.98841	4.2
63.02395	1.9
64.34436	1.1
65.00327	14.3
71.01381	2.3
75.00872	11.2
81.03444	8.6
83.01394	16.2
85.00138	1.0
85.02964	1.3
93.03484	2.2
101.02425	2.7
107.01394	25.6
116.92851	1.4
123.04527	49.2
125.02439	45.2
131.01428	2.4
134.03680	1.1
135.04454	1.9
135.51279	1.2
137.02426	4.4
139.04012	1.7
149.02477	2.1
151.00375	100.0
153.01883	1.5
158.03754	1.2
159.04491	2.3
163.03917	1.5
164.01151	1.2
165.01985	2.0
167.03500	94.7
167.07156	2.4
169.01337	1.6
170.01187	1.1
172.05350	11.0
173.06091	4.9
175.00362	12.2
181.05048	1.8
187.04134	4.3
187.07664	79.5
191.03540	13.7
193.01378	1.6
200.04808	5.6
201.05576	9.4
202.06372	21.6
204.04202	1.3
205.01633	1.3
209.04596	5.4
213.09174	10.6
215.07161	50.9
216.07858	1.6
231.10281	11.3
232.03726	1.5
257.08337	1.6
259.42834	1.1
309.03955	2.0
313.05603	1.3
329.08661	2.0
339.08716	21.7
339.12411	1.3
344.89835	1.4
365.10294	20.6
383.11426	60.1
389.10443	2.5
407.11124	2.1
428.60971	1.3
501.14117	17.6
527.15674	1.8
545.16083	10.5
546.04688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1671
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
59.01378	2.5
61.98854	0.9
65.00329	11.1
71.01402	1.1
73.19539	1.1
76.03645	1.0
80.22659	1.0
83.01399	6.6
89.35232	1.1
99.09523	1.1
105.61593	1.2
107.01383	21.6
114.01003	1.1
125.02444	5.5
134.03752	1.6
135.04529	2.3
137.02405	1.4
148.04254	1.6
148.05330	23.4
149.95309	1.1
151.00383	79.0
156.03276	1.3
162.03195	5.6
164.01251	1.1
165.01915	1.8
167.03514	2.3
169.01434	2.4
174.06848	9.0
175.00362	8.5
176.04816	1.2
180.04285	6.3
193.01500	1.4
203.10811	100.0
231.10294	55.8
285.04184	2.0
286.04825	1.5
313.05957	2.4
362.18628	2.1
364.97821	1.3
383.11435	85.0
425.12680	1.2
448.10046	1.8
516.59210	1.2
545.16669	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	545.1669
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
53.46054	0.7
54.17283	0.7
57.03463	5.1
59.01382	1.4
59.99667	0.7
61.98835	0.8
63.02402	1.6
64.34779	0.8
65.00323	16.7
71.01382	1.3
77.06583	0.7
81.03450	6.4
83.01382	17.0
85.02961	1.4
91.09190	0.8
93.03471	1.2
95.05032	0.9
96.96026	1.2
97.02971	1.3
107.01389	34.8
108.02182	0.7
109.02971	1.3
117.76952	0.8
121.02956	1.2
123.04520	58.4
125.02438	48.7
125.82684	0.9
131.01376	4.0
135.04526	1.8
137.02454	4.2
147.04471	0.8
149.02478	3.5
149.06049	1.0
151.00375	100.0
151.03999	3.0
151.07605	1.0
153.01976	1.2
158.03725	1.0
159.04477	4.5
164.76625	0.9
165.02014	1.2
166.02715	1.0
167.03494	97.4
169.01439	1.3
172.05287	9.3
173.06082	4.5
175.00380	15.9
175.04024	1.2
179.03552	1.3
181.05084	3.2
183.04515	1.0
184.05345	1.1
187.04054	5.2
187.07645	84.9
191.03487	11.2
193.01271	2.5
200.04848	8.4
201.05548	8.7
202.06363	19.2
203.10730	1.1
204.04216	1.2
205.01454	1.0
209.04564	5.0
211.07805	1.0
213.09258	14.9
215.07167	48.4
229.08737	1.6
231.10278	16.0
232.03766	1.2
249.09587	0.8
255.10316	1.1
257.08301	1.5
265.26111	0.9
277.23471	0.9
307.06207	0.9
309.04111	5.7
313.05606	1.3
329.09006	1.2
337.11060	1.8
339.08740	22.9
339.12134	1.2
345.17136	1.2
365.10300	23.0
383.11392	67.3
388.03738	0.9
389.10486	3.1
407.11441	4.1
419.11935	1.2
432.49924	1.0
452.15338	0.9
501.14215	18.9
503.69177	0.9
527.15741	5.9
545.16895	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	543.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26351	0.5
54.48529	0.5
57.03455	0.9
57.98544	0.6
61.98837	0.7
65.00330	1.3
67.01897	1.2
68.99826	0.7
69.03440	0.9
79.90851	0.6
81.03485	0.7
82.21790	0.5
83.01377	15.6
92.95291	0.6
93.03432	4.4
95.01413	0.9
95.05036	0.7
107.01385	2.6
108.02210	1.0
109.02943	11.5
110.85046	0.6
111.51023	0.6
117.03492	0.9
119.04998	1.0
120.02167	2.8
121.02938	3.2
123.04524	8.7
124.01683	2.5
125.02419	5.3
133.02951	6.1
134.03712	3.9
135.04538	1.1
137.01428	1.4
137.02449	33.6
143.05087	0.9
145.02936	0.9
146.03740	0.9
147.04524	0.7
149.02460	1.5
149.48058	0.6
151.00374	15.2
153.01939	100.0
156.05791	0.9
157.06575	4.1
159.04507	5.1
161.06107	2.9
163.00369	3.2
164.01151	35.9
165.01930	11.4
171.04427	0.9
173.05997	0.8
174.81596	0.7
175.07574	0.8
183.04517	1.5
185.06114	7.1
185.11758	0.7
187.04028	1.1
199.07610	3.9
203.07150	9.4
207.17560	0.7
209.06038	3.4
212.04807	0.8
225.05626	0.7
227.03403	1.1
227.07127	3.4
228.04285	6.2
229.05016	1.1
243.06633	4.3
253.05080	15.5
261.37619	0.7
271.06134	32.0
271.22760	7.4
273.20712	0.9
289.07126	6.0
389.26978	2.4
481.29660	0.7
543.38257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58065	0.6
56.95108	0.6
59.01382	100.0
61.63961	0.5
115.01259	0.7
127.76553	0.7
141.44951	0.8
152.99548	1.1
190.53461	0.7
218.77153	0.8
453.86157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01177	0.2
59.01384	1.9
61.82867	0.2
61.98834	100.0
71.01397	0.4
96.96018	1.0
119.05141	0.3
120.45241	0.2
130.08723	4.6
131.09100	0.5
141.01764	0.3
154.11232	0.2
161.56401	0.2
172.09818	3.0
173.10114	1.0
263.93961	0.2
321.19519	0.3
330.88751	0.3
372.20074	0.3
425.02905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
73.30730	0.7
80.63500	0.9
117.97264	0.9
178.24879	0.9
221.52489	0.8
401.29343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	29.3
61.55861	2.4
61.98829	4.1
65.00322	12.5
69.22395	2.6
71.01384	14.0
73.77362	2.8
77.45219	3.4
78.95892	2.9
80.02734	2.7
83.01375	5.3
85.02972	3.2
87.90767	2.9
89.02451	5.4
89.03909	2.6
92.10782	8.3
96.53839	2.5
97.02937	2.9
101.02419	12.1
103.88406	2.6
107.01379	34.3
108.02193	20.7
111.08164	17.2
113.02460	4.3
123.00906	3.1
124.01699	3.2
133.02916	3.0
134.03758	31.1
135.04494	35.3
136.01637	24.8
137.62425	2.6
144.41434	2.8
151.00360	76.0
160.01567	2.9
161.23581	3.0
163.00272	4.3
164.01146	47.2
165.01878	3.5
174.03232	20.8
175.00308	13.5
175.04041	4.1
177.01888	4.1
181.08670	3.2
185.02502	5.7
196.00160	44.4
197.11838	72.6
198.03055	3.1
199.04092	22.6
201.01994	25.0
201.11159	3.0
209.11845	2.9
211.13333	14.0
215.03549	6.1
216.04097	3.5
227.03490	2.9
227.12860	3.1
241.05086	13.9
242.05775	11.5
244.82188	3.5
253.09366	31.3
257.04547	6.7
258.05359	5.1
285.01239	4.5
285.04114	74.4
286.04834	100.0
287.05582	6.3
291.19650	23.8
299.05716	3.9
309.20782	66.1
365.10391	4.3
383.11365	66.6
448.10043	39.4
461.19476	4.7
491.20493	5.3
509.21759	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	543.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11440	1.0
59.01385	98.8
60.05219	1.1
60.90814	1.2
61.04393	1.2
61.98830	1.4
62.22297	1.1
62.25912	1.0
71.01388	1.4
73.98739	1.2
81.03457	1.2
83.01409	4.7
83.05038	21.8
84.02213	1.4
89.10625	1.3
96.27781	1.2
97.06595	2.3
99.09201	1.0
109.06609	5.1
135.08142	8.3
137.09726	1.3
138.30858	1.2
143.07141	1.9
144.94684	1.3
163.07660	5.2
163.11276	7.0
171.10255	5.2
181.08723	76.1
197.11844	2.5
199.09773	5.9
207.10197	1.2
209.11861	100.0
227.12865	11.1
241.50073	1.2
245.72993	1.2
277.31027	1.5
353.85385	1.3
354.49438	1.4
414.48535	1.2
525.27832	1.5
526.54279	1.2
543.27350	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65793	0.3
55.38801	0.3
58.02987	1.6
59.01393	0.4
61.98834	0.4
66.67466	0.3
72.00913	0.8
72.97549	1.7
74.02467	3.3
82.02987	2.9
84.04526	4.1
86.02472	21.0
86.99099	10.4
88.04064	0.7
96.04547	0.7
100.07716	0.4
103.34373	0.4
107.06123	0.5
109.07727	2.1
115.05873	7.9
117.07387	0.4
119.05074	1.4
125.07211	0.5
127.05167	5.5
127.08771	18.1
127.11285	0.4
128.03539	100.0
143.05305	0.6
144.06157	16.4
153.06705	6.3
158.07732	0.9
165.12830	0.9
167.14410	3.7
171.07759	61.6
177.01945	1.9
179.04633	0.9
181.12218	0.4
183.13969	0.4
191.14462	0.4
197.05617	1.8
211.11665	0.4
211.13376	3.0
215.06783	13.0
229.14529	3.4
258.12988	5.3
265.21796	0.6
283.21167	0.6
291.06943	0.4
293.21268	15.1
309.18915	1.6
327.20038	51.5
328.20346	0.8
352.23166	2.2
365.09836	0.8
396.22226	0.8
414.23242	14.6
525.26544	3.9
543.12799	1.9
543.27570	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	541.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.9
61.98846	3.9
62.88340	0.5
66.13459	0.6
68.36904	0.6
70.08495	0.6
71.65371	0.5
93.03443	2.3
121.02946	29.7
122.03776	1.1
130.06763	0.7
134.03711	2.9
135.04518	12.5
136.01685	1.0
137.02432	1.0
147.04553	4.2
149.02470	1.4
149.06081	1.4
151.04018	1.0
161.06084	3.2
163.04031	0.8
163.17322	0.6
164.04857	1.1
165.05678	1.0
166.06357	100.0
177.05511	0.7
178.06345	4.4
179.07227	5.3
181.08720	33.6
189.05594	1.5
190.06384	3.7
191.07324	2.0
193.05072	4.6
210.05391	1.2
224.06873	0.8
257.08353	0.7
267.06528	1.6
271.05984	1.5
280.11200	0.7
282.09064	1.0
285.11353	6.4
297.11288	2.6
311.09216	1.1
315.12466	3.2
325.10968	1.3
326.11533	1.4
327.21796	0.8
329.14014	4.4
341.14069	4.1
343.15665	0.9
359.15060	53.3
360.15448	1.6
400.94165	0.7
511.22528	0.8
523.22504	2.6
541.24548	10.1
560.36804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48163	0.4
57.03456	0.7
58.02978	0.5
59.01369	0.4
60.97536	1.7
63.74416	0.4
65.73469	0.3
66.21523	0.3
67.85035	0.4
72.00921	1.5
72.97533	13.2
74.02488	4.1
82.02979	4.5
84.04543	5.3
86.02480	17.5
88.04059	0.5
89.98573	0.3
96.04543	0.9
100.07687	0.4
107.06177	0.6
109.07733	1.6
110.06153	0.5
111.08138	0.7
113.00712	0.5
113.04316	3.2
115.05918	0.5
127.02234	2.6
127.05126	4.6
127.08775	17.9
128.03535	100.0
142.04576	1.7
147.95238	0.5
148.88303	0.4
149.02437	0.9
153.06696	4.9
162.95816	0.5
164.04799	0.7
164.35530	0.4
165.12831	6.6
167.14352	0.9
171.07759	62.2
179.04599	0.5
197.05740	2.0
211.13405	0.9
215.06778	11.3
222.12494	0.5
223.13435	4.2
229.14386	0.5
247.20734	0.9
252.41397	0.4
256.11377	13.4
256.13867	0.8
273.18582	1.6
291.19696	15.4
292.20056	0.5
307.17245	0.5
325.18469	30.3
350.21399	0.9
368.30362	0.4
412.21716	10.0
492.88849	0.5
523.24963	1.7
541.25970	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	541.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54665	0.1
59.01384	0.8
60.99318	17.6
68.78361	0.2
70.08633	0.2
71.37595	0.2
76.40202	0.2
78.59840	0.2
87.00897	0.3
88.00403	1.2
88.98814	100.0
89.02452	3.6
94.09199	0.2
103.36861	0.2
104.87010	0.2
109.30333	0.2
140.68352	0.2
163.18880	0.2
163.90224	0.2
180.45062	0.2
209.11856	1.0
222.07112	0.2
232.48378	0.2
269.04623	0.3
462.48187	0.2
467.61887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45456	0.6
53.65870	0.7
63.25148	0.6
80.84252	0.7
99.08151	3.0
106.07766	0.6
124.44672	0.8
129.09232	0.9
139.88393	0.7
141.12856	4.1
142.09889	0.7
211.24449	0.8
225.22226	2.7
241.21724	2.8
253.21751	1.1
269.21240	6.6
270.80966	0.8
271.22827	45.6
272.23111	1.6
273.23605	1.4
285.20810	3.5
286.20947	1.0
287.22308	100.0
288.22543	0.9
370.22858	0.7
535.01904	0.8
541.44800	65.3
542.45148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37816	0.4
59.01389	1.2
61.98823	3.6
63.61950	0.4
81.88785	0.4
109.02987	0.9
121.02940	15.3
121.03748	0.8
122.03745	2.1
135.04507	8.6
146.03763	2.3
147.04510	0.6
149.02457	15.2
151.00342	0.5
161.06122	0.6
163.04034	0.6
164.04797	32.5
165.05627	4.0
166.06348	100.0
167.07112	2.8
177.84920	0.5
179.07121	17.1
180.07938	0.9
181.08707	73.3
213.89577	0.5
220.07050	0.5
253.86526	0.5
347.14951	0.8
361.16605	16.3
523.23340	5.0
541.24365	4.1
541.31897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02565	0.5
59.01394	3.0
61.83193	0.5
61.98843	3.1
64.56320	0.6
65.19063	0.6
71.01410	0.6
73.72281	0.5
83.05011	0.6
83.06943	0.5
91.94117	0.6
92.10762	0.7
92.29341	0.6
109.02967	0.8
111.64663	0.6
121.02946	15.8
122.03732	2.5
123.04484	0.8
129.71393	0.6
135.04530	9.9
146.03778	1.5
147.04437	0.8
149.02448	19.5
160.05292	0.9
161.06172	0.8
164.04791	43.3
165.05544	5.2
165.06706	0.5
166.06348	100.0
167.07092	1.1
171.40173	0.6
175.07570	0.8
179.07126	20.7
181.08707	68.8
209.08141	0.7
234.03113	0.7
269.79919	0.7
271.06287	0.7
346.14279	0.8
347.14938	1.4
360.16296	0.6
361.16629	17.9
408.25159	0.7
417.19431	2.2
494.95453	0.7
523.23236	6.8
541.24591	4.1
541.31720	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	541.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
58.00622	2.1
59.01387	100.0
63.25526	0.8
68.50024	0.8
71.01384	44.7
72.99317	1.9
73.02953	0.9
79.24270	0.9
83.01382	1.0
85.02943	9.4
87.24825	0.9
89.02441	78.1
89.94765	0.8
95.01401	5.4
96.96008	1.2
101.02431	19.7
105.54803	0.9
113.02463	16.8
119.03483	25.4
134.03760	1.9
136.01656	7.1
143.03484	1.6
149.04562	2.3
150.03230	1.8
151.04022	6.0
161.04547	8.2
171.72960	0.8
179.05606	33.6
185.06113	1.9
195.04512	4.6
197.06093	1.5
209.06160	1.5
212.04832	1.3
213.05588	17.8
223.04015	3.7
224.04726	2.1
225.05611	5.6
236.04720	1.0
237.05591	11.8
238.06427	1.9
240.04289	7.1
240.07950	3.7
241.05086	81.5
242.05461	1.3
247.16881	0.9
252.07903	9.2
253.05092	10.0
255.06628	22.1
256.07434	43.1
268.07452	9.5
270.08969	14.4
271.09775	52.8
272.10190	1.2
283.09781	19.3
301.10846	9.7
421.44629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55903	0.8
55.01884	1.4
55.08585	0.8
58.00611	1.7
59.01384	100.0
60.27905	0.9
66.97070	1.0
71.01380	44.9
72.99323	2.1
73.05159	0.9
85.02944	9.6
86.99799	1.0
87.00886	1.1
89.02438	75.0
92.14049	0.9
95.01398	3.7
101.02432	19.2
113.02448	17.6
116.92870	0.9
119.03499	27.6
131.03517	1.9
143.03532	4.6
148.87097	0.9
149.04559	1.3
161.04527	9.8
179.05615	37.5
185.06123	3.7
195.04503	1.7
197.06073	2.2
212.04781	3.0
213.05600	17.9
223.04071	3.7
224.04765	2.2
225.05548	6.0
240.04314	11.9
240.08040	1.1
241.05083	89.7
255.06647	34.3
255.09198	1.7
256.07419	56.0
257.07959	1.2
270.08972	21.8
271.09775	66.8
301.10880	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	541.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37394	0.8
58.00614	1.8
59.01391	100.0
64.71219	0.8
71.01382	44.4
71.01769	1.6
72.99332	1.5
80.54489	0.9
83.01405	1.4
85.02932	9.1
89.02440	74.1
95.01403	2.0
95.25274	0.9
100.75349	0.9
101.02441	18.2
113.02449	20.3
119.03497	26.5
119.04961	7.5
120.64874	1.1
123.75796	1.1
128.10773	1.0
130.08730	16.5
131.03519	1.7
136.01691	1.6
143.03529	1.3
144.08185	1.0
149.04550	1.1
150.03238	1.9
161.04530	7.9
163.04048	5.1
172.09792	9.5
179.05608	34.8
185.06082	4.1
195.04579	3.6
197.06097	2.3
212.04839	3.8
213.05603	20.2
223.04054	3.5
224.04805	3.6
225.05637	6.0
237.05614	9.0
238.06361	1.5
240.04340	9.3
240.07924	4.1
241.05067	94.2
248.58170	1.0
252.07890	3.5
253.05098	4.2
253.08514	1.0
255.06682	27.4
256.07428	52.7
268.07462	6.0
270.08963	17.2
271.06827	2.1
271.09766	59.5
272.10281	0.9
283.09818	8.5
283.16763	1.1
301.10962	9.5
391.47211	1.1
456.87750	1.1
563.03119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10028	5.5
59.01383	81.9
62.95296	5.5
70.64497	6.0
71.01398	14.5
76.57703	7.0
80.05077	8.5
86.17036	5.4
87.00883	7.4
88.98808	14.6
89.02463	32.6
92.10101	7.3
96.96001	70.3
101.02441	23.2
104.05097	8.8
113.02499	10.6
116.92860	12.9
119.03485	6.3
122.06107	14.8
132.04575	25.9
134.03740	33.5
135.04471	44.9
135.82391	7.2
148.04057	39.1
150.03200	27.5
150.05617	36.2
161.04691	6.3
165.05583	39.0
192.03128	7.3
194.04596	48.0
241.05095	36.2
255.06473	7.7
256.07379	9.5
271.09821	67.2
319.12140	7.3
343.13977	99.5
361.10254	8.2
379.11511	34.5
521.36707	7.6
541.16864	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	541.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75166	2.0
53.16449	2.0
54.82394	2.8
57.03479	1.8
57.67483	1.9
59.01396	11.5
61.98846	5.5
85.55483	2.1
121.02965	12.2
149.02414	8.4
164.04829	13.7
166.06366	100.0
179.07182	3.7
181.08710	69.8
328.10120	3.1
343.15671	3.5
361.16650	11.8
398.99246	2.2
421.53442	2.7
493.22632	2.7
524.69452	3.0
541.24719	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	541.1147
Annotation	Neochamaejasmin B
Peak:m/z	Relative Intensity
51.16372	0.4
54.82845	0.5
59.01389	0.6
61.58854	0.3
63.02391	0.8
65.00322	9.6
68.99820	1.7
76.57806	0.3
77.00333	0.4
83.01377	5.3
92.99819	1.6
93.03450	7.1
94.00588	0.4
95.01382	2.6
98.79542	0.3
102.82755	0.4
104.99825	0.4
107.01396	8.3
108.99295	0.5
110.00098	3.9
111.00888	0.9
111.30252	0.3
112.50392	0.4
112.56698	0.5
114.57408	0.4
117.03474	1.7
119.05022	69.9
120.05421	0.4
120.99335	3.5
123.00843	2.3
124.01648	1.7
125.02454	4.3
127.05583	0.5
133.02957	0.7
136.01662	0.9
136.98810	3.3
137.99615	0.7
139.00372	3.4
140.01129	0.6
141.07127	0.6
143.05006	4.5
145.02039	0.4
145.02982	8.5
145.06555	2.2
148.98775	0.6
149.99585	2.2
151.00386	22.1
152.01099	0.7
155.04996	2.3
157.06596	3.3
159.04556	2.8
163.00381	0.9
164.01180	5.5
165.01909	0.7
165.99112	2.8
166.99890	3.9
167.05000	0.6
169.06590	5.1
171.04520	3.7
173.06084	2.9
176.01155	0.5
177.01921	4.5
180.00609	0.6
180.05783	0.5
181.06592	1.9
183.04506	2.6
185.06050	2.2
187.03995	0.9
192.00679	1.4
193.06477	0.7
195.04503	0.6
196.00189	4.1
197.06120	4.3
199.03993	2.4
199.07620	0.5
200.04765	0.7
201.05606	10.4
211.07663	2.2
213.05627	3.2
215.07103	0.4
221.09743	0.8
223.04042	0.5
225.05617	5.5
227.03526	1.5
227.07143	4.8
235.07709	0.7
241.05081	14.9
241.08752	0.7
243.06638	5.5
251.07159	0.6
255.06531	2.9
265.05008	0.5
265.08609	0.5
267.06705	0.6
269.04572	34.1
270.05313	10.3
271.06107	4.9
281.08072	0.6
283.06097	4.5
286.04678	0.6
287.05670	1.0
295.06012	3.1
305.08218	1.6
309.07739	2.4
311.05719	1.6
323.05502	0.7
325.07068	2.3
337.03677	0.5
347.09314	0.5
349.07358	3.3
351.04926	0.5
351.08743	2.2
353.06616	3.2
377.06683	2.8
387.08899	0.5
389.10339	20.2
391.08173	0.5
395.07794	14.3
408.11801	0.5
415.08615	0.6
421.05582	5.1
455.11487	1.5
457.09448	1.6
497.12500	10.1
541.11469	100.0
542.11865	1.0
549.72394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
59.01400	2.3
61.98860	0.5
62.35573	0.4
64.34731	0.5
65.00327	8.1
66.72777	0.5
67.35078	0.4
68.99795	0.8
80.34395	0.5
83.01372	4.8
91.78405	0.5
93.03473	2.4
107.01385	7.3
108.99344	0.7
109.43799	0.5
112.98831	2.1
116.92872	0.6
117.03474	2.8
119.05018	33.0
121.02960	1.2
125.02438	10.5
133.02956	1.0
133.06567	0.7
143.05026	19.6
145.02959	6.4
151.00377	21.5
155.05035	1.2
155.08678	0.8
157.02966	3.4
157.06593	26.6
159.04524	100.0
161.06087	3.7
162.98363	0.6
163.04066	0.5
171.08054	0.7
174.01691	7.8
175.07625	6.6
177.01913	1.2
181.06587	3.6
183.04489	14.2
185.02466	12.7
185.06073	7.1
187.04027	10.0
199.03978	1.2
199.07648	18.0
201.05594	74.7
203.07123	1.1
207.04626	0.6
209.06169	0.7
225.05608	11.7
227.03552	6.8
229.05025	7.9
239.07056	0.8
243.06625	23.7
249.05568	2.0
251.03500	2.0
265.08624	0.5
267.06702	4.3
269.04562	5.5
293.04614	1.3
293.21179	0.7
295.06094	0.9
303.10339	2.7
307.09726	0.9
309.07715	2.4
311.05655	17.0
323.45078	0.6
331.19348	0.7
335.05624	2.1
345.11496	4.9
351.08649	3.8
353.06738	5.7
371.09067	0.9
389.10358	48.7
390.10312	0.7
395.07755	9.5
415.08258	28.1
416.08322	0.9
445.22516	0.9
463.23337	0.8
523.25745	1.0
541.11469	53.9
542.11932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1144
Annotation	Neochamaejasmin B
Peak:m/z	Relative Intensity
50.31916	0.5
57.03459	1.0
63.02397	0.6
65.00333	7.6
68.99818	1.0
77.48741	0.6
81.55456	0.5
83.01388	3.3
86.41131	0.5
86.70063	0.6
88.68775	0.6
92.66598	0.6
93.03462	1.0
107.01403	7.3
110.02415	0.6
117.03466	2.7
119.05019	25.9
125.02428	9.9
133.06604	0.7
143.05031	15.3
145.02927	5.4
151.00372	20.6
155.05060	1.2
155.08664	2.5
157.02940	4.0
157.05334	1.1
157.06584	26.0
159.04518	100.0
161.06093	3.0
171.08110	0.7
175.07668	8.4
177.01921	2.3
181.06529	3.6
183.02963	0.8
183.04509	16.1
185.02438	14.3
185.06047	5.9
187.04050	8.8
197.06168	0.8
199.03963	1.4
199.07654	13.3
201.05594	70.1
209.02504	0.7
225.05600	12.9
227.03459	6.8
229.05078	4.9
236.62581	0.6
239.07124	1.2
243.04262	1.1
243.06635	21.8
249.05479	1.4
251.03561	1.0
265.08609	1.3
267.06616	4.0
269.04697	2.9
293.04611	1.3
295.06015	1.2
303.10202	1.5
307.09695	0.9
309.07785	0.8
311.05719	13.2
335.05737	1.4
345.11301	3.8
351.08899	5.5
353.06717	3.9
363.08826	2.9
389.10370	42.7
395.07736	7.8
415.08231	28.3
467.73624	0.6
541.11444	50.1
547.87665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01044	1.2
89.99068	1.1
155.14377	1.4
165.93690	1.3
195.38559	1.2
203.58977	1.4
211.87447	1.2
225.22252	6.1
267.19748	6.6
269.21121	1.5
271.22818	100.0
272.23007	1.6
285.20737	43.1
378.82462	1.4
539.43317	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86562	0.9
53.32003	0.8
59.01388	1.7
61.98833	4.7
71.01394	2.0
72.00906	18.8
74.46811	1.0
78.95892	1.9
80.18584	0.9
80.36243	1.0
84.84097	0.9
87.00864	1.5
87.92523	0.9
89.02428	2.0
91.05521	1.8
92.10141	1.1
96.41350	0.8
96.95987	3.7
111.90732	0.9
128.00369	0.9
129.94992	1.1
145.03082	1.3
147.04529	67.2
149.02460	18.5
150.03226	27.0
160.04045	1.8
161.04544	1.5
164.04825	10.0
164.07179	100.0
165.05571	39.2
180.04266	1.3
195.06642	17.4
319.41367	1.0
327.11020	12.0
338.86700	1.2
432.24307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01385	0.8
61.98840	0.7
63.80754	0.4
65.00335	3.0
70.43291	0.5
70.74520	0.5
72.99302	0.6
76.57241	0.6
83.01355	1.0
88.93373	0.5
89.03990	0.7
90.44875	0.5
93.03471	1.0
93.60726	0.6
107.01385	1.0
109.02969	0.7
115.47073	0.6
117.03467	16.4
119.05036	0.8
122.03720	2.3
123.04518	0.7
125.02431	4.3
133.02940	3.2
135.04544	0.8
139.05510	3.2
141.03484	0.7
150.03221	2.4
151.00371	3.1
156.66199	0.5
157.06532	1.4
159.04507	4.7
161.02443	2.4
171.04556	0.7
174.01683	4.4
175.02539	0.7
177.01938	46.5
178.34038	0.5
179.44778	0.5
181.06564	0.6
183.04547	1.1
197.06172	0.6
199.04051	1.2
201.05603	3.3
211.03995	0.7
215.07048	0.8
224.69119	0.7
225.05609	3.1
227.03493	3.0
268.03793	2.7
269.04572	5.7
281.04553	0.7
289.08365	0.7
290.05920	1.1
291.06717	1.3
293.04535	3.9
295.06201	2.0
306.05264	1.2
308.65338	0.7
317.08176	0.7
319.06100	6.5
319.09601	1.5
321.07681	3.0
333.07654	0.9
334.04959	2.4
335.09308	3.7
343.06073	4.1
343.42383	0.7
345.07727	55.1
348.06302	1.2
349.08871	0.7
361.07208	4.7
362.08096	2.8
363.08786	52.8
364.09128	0.8
389.10416	2.6
395.37653	0.7
413.10541	1.0
455.10962	0.8
497.12762	1.4
541.11493	100.0
542.12299	0.7
560.36981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.3
65.41544	0.2
69.28410	0.2
71.05030	0.4
95.05079	0.4
97.06589	1.4
99.08165	0.5
113.09738	0.4
139.11295	2.9
141.12883	0.5
155.14413	4.1
167.14381	0.2
183.94386	0.2
187.53963	0.2
211.12216	0.2
211.20715	1.7
221.19128	1.8
223.20610	0.3
225.22292	1.9
239.20183	1.4
241.21758	0.9
242.48810	0.3
249.18629	0.3
253.21786	2.0
265.18118	1.2
267.19690	1.6
269.21216	0.4
271.22821	47.4
272.23184	0.5
283.19455	0.3
285.20746	100.0
286.21008	1.3
337.08090	0.3
539.43256	54.3
540.43494	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	539.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84024	1.3
59.01379	14.0
61.36938	1.2
64.08692	1.4
76.12377	1.6
76.38158	1.6
79.06532	1.5
93.03442	5.5
108.02169	2.5
119.05054	3.0
121.02951	27.9
122.03718	7.6
123.04522	3.3
132.02188	3.6
134.03729	25.7
135.04541	21.5
137.02454	1.8
145.02922	2.9
147.04498	19.4
148.05299	2.1
149.02464	30.8
149.06068	27.8
150.03230	100.0
151.04022	7.5
158.92671	1.5
159.04544	4.0
161.06102	2.1
162.03209	2.1
163.04041	3.2
164.04819	13.1
165.05566	74.7
167.07156	2.7
173.06084	10.6
175.07631	2.0
176.04797	2.1
179.07155	2.3
180.04337	2.5
180.07932	9.2
184.49629	1.4
191.07089	2.6
192.07935	81.2
195.06714	13.2
201.05638	15.4
207.10304	32.8
219.06615	9.2
255.06718	3.0
269.08191	2.2
270.08795	1.8
295.09903	2.4
312.10141	3.1
313.10864	3.1
317.13959	11.5
325.10760	13.1
327.12430	2.8
327.76343	1.7
328.13110	3.2
329.13818	10.1
340.13245	3.8
341.13568	1.8
343.15527	11.1
357.16922	2.0
361.16626	6.9
479.20718	13.0
509.21918	86.4
539.22906	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89858	0.3
59.01391	4.7
61.98817	0.5
71.01386	0.5
73.93515	0.3
77.83315	0.4
78.91896	0.8
82.95461	0.5
84.59991	0.4
88.98795	0.6
105.18114	0.5
121.02943	8.4
122.03760	0.7
124.01643	0.5
135.04544	1.8
136.05301	0.5
145.02937	0.8
146.03735	0.6
147.04524	4.8
149.02420	0.6
149.06079	4.5
150.03224	3.5
158.03734	2.5
159.04533	5.7
160.05302	17.2
161.06084	6.1
163.03973	3.0
164.04744	3.0
166.06316	0.7
173.06076	2.7
175.07623	13.9
177.05592	5.3
178.06366	5.2
180.07904	0.4
192.07895	1.0
193.08633	0.7
201.05635	2.2
206.59662	0.5
209.08180	3.9
219.06607	0.9
223.09743	0.7
238.06281	0.7
240.04388	0.6
241.08717	0.6
249.91519	0.4
251.07092	0.8
253.08755	0.8
254.05743	0.7
255.10249	2.0
267.06665	0.5
269.08206	26.6
271.09717	0.6
281.08060	4.1
282.46857	0.4
283.09778	10.8
295.09738	1.7
296.10504	0.9
297.11292	0.6
298.12167	0.9
299.09268	19.1
311.05670	0.8
311.09283	23.3
313.10779	0.8
314.11624	33.9
315.12305	1.7
317.13901	0.8
322.25345	0.4
325.10791	2.9
326.11630	18.3
329.13968	100.0
330.14227	2.2
341.13965	35.2
359.15121	1.0
452.54691	0.5
509.22333	1.6
521.22467	0.5
539.22900	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	539.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99014	0.3
59.01384	17.7
61.98832	0.4
64.75156	0.4
69.03458	0.4
71.01382	3.1
73.02971	0.8
75.24835	0.3
83.05054	0.3
85.02956	0.6
87.00864	0.4
89.02448	3.7
92.10187	0.5
93.03448	0.4
101.02444	2.6
102.22511	0.3
108.02159	0.4
113.02502	0.7
117.03493	0.4
119.03528	0.7
119.05032	0.4
121.02985	1.6
122.03746	0.5
123.04546	1.4
134.03796	0.4
135.04517	4.7
137.02461	0.6
141.18951	0.3
145.02974	1.2
146.03674	0.4
147.04486	3.8
157.92175	0.4
159.04515	1.9
161.04578	1.4
163.04007	0.6
163.22653	0.4
164.04773	0.6
165.12904	0.5
167.07100	0.6
167.14447	0.5
173.06015	0.8
175.03946	0.4
179.05667	0.4
179.07224	0.5
180.07938	0.7
183.13896	6.5
186.99283	0.4
193.12354	1.5
211.13423	100.0
219.06676	0.8
224.06900	0.6
231.31198	0.4
251.07118	0.5
253.09302	9.5
255.06679	0.5
263.07077	0.5
264.04337	0.4
264.08084	0.4
265.05164	0.7
265.08701	0.5
266.05945	1.6
267.06659	3.7
267.10327	0.6
268.07230	0.9
268.10580	0.4
269.11798	0.4
279.06845	0.4
280.07376	0.6
281.08179	1.5
282.09048	3.5
283.09753	6.0
285.11252	1.3
291.06616	0.5
294.09082	0.7
295.09866	6.9
296.10422	0.9
297.11316	4.5
298.08533	0.7
307.06448	0.5
307.09775	1.2
309.11426	3.4
310.08432	2.5
310.11981	1.4
311.09174	0.7
312.10159	0.9
313.10828	5.3
321.11490	0.4
323.09409	0.4
323.12836	0.5
324.10025	1.8
324.13513	0.5
325.10883	14.6
326.11569	4.1
327.12430	3.5
328.13303	4.1
337.10947	3.7
338.11636	1.9
339.12341	4.0
340.13226	13.4
341.13916	8.4
342.11017	0.6
351.12561	0.4
352.13278	3.9
353.13901	3.4
354.14966	0.8
355.15646	0.8
356.66809	0.4
357.13452	1.6
360.11981	2.6
372.12119	0.7
374.13611	0.8
390.13583	0.5
431.15036	0.5
447.22498	8.8
449.16162	0.8
461.16211	1.8
464.18799	1.7
473.15985	0.8
476.18561	3.0
479.20944	2.1
488.18723	0.8
491.20749	3.9
494.20178	0.4
503.20688	2.1
509.21857	41.3
521.21893	27.4
522.22180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2296
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
57.31433	0.4
59.01385	16.9
62.01028	0.5
71.01371	3.7
75.22439	0.5
83.01380	0.6
85.02975	0.9
85.99323	0.5
87.00908	0.6
89.02428	3.8
101.02468	3.3
108.02178	0.6
109.02949	0.5
113.02444	2.1
113.18645	0.5
117.03498	2.0
119.03499	1.0
119.05090	0.8
121.02966	3.1
122.03793	0.6
123.04541	1.3
133.18462	0.5
133.74028	0.5
134.03745	0.9
134.46927	0.5
135.04521	7.1
145.02966	0.5
147.04524	5.9
148.05400	0.7
149.06108	1.1
151.04010	0.6
159.04500	1.1
161.04547	1.0
161.06076	1.3
163.03954	0.7
164.04816	0.9
167.07130	0.8
179.07224	0.7
180.07962	2.3
183.13881	8.0
191.07207	0.8
192.07954	1.0
193.12349	2.1
201.05598	0.8
211.13432	100.0
223.07693	0.6
238.06421	0.7
239.07172	1.1
251.07109	0.8
253.05150	0.9
253.09343	12.4
254.05963	0.9
255.06598	1.0
258.61380	0.6
265.05066	1.2
266.05862	2.9
267.06693	5.2
267.10156	0.8
268.07501	1.2
269.08212	1.3
279.06631	1.1
279.09940	0.6
280.07425	1.0
281.08304	2.6
281.11749	0.6
282.09070	4.4
283.09698	9.2
285.11371	1.0
295.09781	10.5
296.10535	1.1
297.11334	7.9
298.08508	0.8
298.12021	1.2
307.09665	1.3
308.10617	0.8
309.11301	3.7
310.08560	2.2
310.12149	2.3
311.09384	1.3
311.12900	0.7
312.09985	2.1
313.10901	9.5
314.11578	0.7
321.11288	1.1
323.09302	1.0
323.12909	0.8
324.10138	3.1
325.10855	21.9
326.11536	5.9
327.12497	4.8
328.13248	5.6
337.10812	4.3
338.11737	2.9
339.12396	6.0
340.13196	22.0
341.13879	12.7
342.14526	1.0
351.12289	0.8
352.13232	9.0
353.14020	4.7
354.14908	1.0
355.15530	2.2
357.13449	2.5
360.12259	4.7
371.14920	0.9
372.12195	1.3
374.13852	0.7
431.15265	2.1
433.43875	0.6
443.15152	0.8
445.16617	0.8
447.22488	10.2
449.15802	0.7
461.16248	2.5
464.18631	4.0
473.16199	2.4
476.18530	6.3
479.20889	5.5
488.18307	1.2
491.20703	7.5
494.19180	0.7
509.21860	70.6
510.22131	2.0
521.21887	40.6
522.21527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	4.3
56.03159	3.7
59.01388	99.1
61.98835	9.4
71.01398	20.1
72.33779	3.7
73.02946	5.8
79.55446	3.9
81.71530	3.7
83.01411	8.2
85.02969	4.7
85.61262	4.1
89.02447	9.5
92.10172	8.8
100.41200	3.9
101.02421	6.3
109.02974	16.5
113.26007	4.0
126.18522	4.4
135.04495	5.3
136.01668	8.5
138.38763	5.0
147.04517	7.0
153.05742	4.8
157.66676	4.4
161.04562	6.0
161.33432	4.2
163.04044	7.3
163.07616	6.4
166.02625	6.5
173.06033	37.2
175.03983	6.6
177.05568	100.0
181.05026	9.8
191.03534	32.3
191.07121	6.4
193.04993	6.0
201.05585	23.3
202.06326	4.2
211.05980	4.8
211.13396	62.7
219.06673	69.5
220.07446	41.2
222.13171	4.1
253.09315	5.1
281.56119	4.5
317.14063	5.8
327.12451	25.6
359.44232	5.8
387.08789	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	539.2273
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
52.20073	1.7
53.48929	1.6
57.03445	2.0
58.72469	2.0
59.01384	42.8
61.53098	2.2
61.98832	4.0
71.01396	20.6
71.65375	1.9
73.02938	4.2
78.89098	2.1
85.02965	2.9
89.02435	25.2
92.10099	4.6
96.95988	2.2
98.23352	1.8
101.02451	9.1
109.02928	2.4
113.02439	4.4
119.03468	7.6
120.68887	2.0
121.02950	3.5
123.04578	2.5
130.43205	2.1
132.61990	1.9
134.03796	3.1
135.04483	2.1
137.02441	9.7
149.02371	2.2
151.04031	2.5
151.75253	1.8
152.99632	2.5
164.04765	9.2
171.10243	4.0
173.06039	2.1
179.05704	20.6
179.07120	4.0
189.79878	2.2
192.07925	3.7
223.29515	2.7
233.15356	3.1
272.06903	2.2
281.97034	2.1
287.09274	3.9
299.09256	8.0
337.89645	2.4
339.27255	2.2
354.60254	2.4
377.16092	25.1
388.23337	2.0
413.22040	3.6
424.29172	2.5
503.24881	3.2
539.22839	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	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88638	1.7
59.01394	20.3
61.21786	2.0
61.98846	1.9
62.01356	1.8
69.56491	1.9
71.01377	2.7
73.92315	1.8
97.04214	1.9
121.02971	4.4
122.03745	3.3
134.03793	4.0
135.04515	10.3
141.29970	2.4
147.11089	2.3
148.05292	26.5
149.06105	19.2
151.03951	2.6
160.05289	25.9
161.06082	31.7
162.03247	11.9
163.03996	12.3
163.07677	5.0
173.05994	4.5
177.05586	13.3
177.79327	2.5
180.04323	10.9
190.06357	2.0
191.07108	3.7
282.08997	5.3
285.11389	27.8
297.11237	27.1
315.08994	4.5
315.12445	100.0
317.10309	8.8
327.12378	8.2
328.13007	4.6
329.13351	3.4
367.23239	2.4
384.42648	3.1
448.11511	2.3
477.17709	79.7
489.18259	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	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23534	1.9
54.82833	2.0
57.03117	1.8
57.03457	4.5
57.54587	1.9
59.01385	20.3
59.12938	2.0
61.98837	5.6
71.01383	9.9
71.82135	2.1
85.02983	3.8
88.98829	2.4
89.02444	8.8
96.96007	10.1
101.02449	5.0
111.00916	2.7
111.98428	2.7
113.02481	3.1
119.03483	3.3
119.05028	21.9
121.02940	11.1
122.03749	3.2
134.03711	2.9
135.04538	10.9
136.01640	2.9
136.89151	4.8
137.02417	12.2
147.04539	12.1
148.05316	43.9
149.06097	2.4
150.03236	4.8
151.04033	8.8
153.05644	7.5
160.05287	30.5
161.04770	2.3
161.06096	20.7
162.03253	20.3
163.04012	24.3
164.04578	2.1
165.05568	4.9
172.05252	11.8
175.03915	2.7
175.07628	3.1
176.84996	2.5
177.05634	4.9
179.07179	2.6
180.04263	22.1
180.07913	3.5
185.02278	29.7
187.07706	13.6
191.07222	5.2
192.07944	12.8
194.05904	3.5
194.70175	2.3
197.08206	11.3
200.07115	2.6
203.03093	2.4
207.10176	2.9
210.08929	3.1
235.09772	2.7
243.06694	2.9
269.08304	4.0
275.94403	2.4
281.08167	13.4
284.10513	3.9
296.10513	14.5
299.09647	3.1
299.12967	25.4
311.09698	2.6
311.12778	18.6
314.11652	3.9
315.89603	2.3
324.08215	2.6
326.11395	3.4
329.10287	4.6
329.14005	100.0
341.13919	14.3
359.15131	3.5
377.16302	9.2
397.90546	2.7
409.24265	3.0
479.11487	10.6
491.19437	52.8
503.18597	3.4
539.21997	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	539.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	3.7
57.03368	2.5
58.00530	0.6
58.88398	0.4
59.01298	22.7
59.01628	3.5
61.24004	0.4
61.98754	0.5
71.01285	15.1
71.01715	1.6
72.99242	0.9
73.02849	6.8
74.66454	0.4
74.86465	0.4
83.01277	5.4
83.01822	0.7
85.02847	9.6
85.03404	0.8
85.99994	1.9
87.00797	0.8
89.02332	5.9
93.03333	2.5
95.01256	2.5
99.00761	2.4
101.02317	15.8
101.03030	0.8
108.02070	1.0
111.00813	0.6
113.02447	4.7
119.03356	1.8
121.02940	8.2
122.03591	7.0
123.04388	0.6
132.02000	2.0
133.02948	7.3
134.03604	2.1
135.04364	2.7
136.01547	1.9
147.04379	1.9
149.02448	51.8
149.05910	1.9
150.03229	53.9
150.04337	2.3
151.03792	0.5
161.04453	0.9
164.04791	9.9
165.05566	34.5
165.06851	1.2
166.06372	7.2
167.07008	1.8
179.05431	2.2
180.04077	2.0
181.08713	7.3
195.06631	7.3
199.57013	0.4
270.08890	0.5
283.09708	1.0
314.11633	8.5
315.12347	0.9
329.14011	16.8
338.81015	0.5
343.10721	0.5
343.14081	11.0
357.15536	0.5
377.15765	0.5
397.14749	0.5
425.22168	0.6
476.16324	0.6
491.19287	100.0
492.19653	1.8
539.21600	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	539.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32979	0.2
55.01886	2.0
57.03453	1.8
58.00604	0.5
59.01384	19.7
60.74386	0.3
61.98845	0.7
70.62970	0.3
71.01377	10.4
72.99326	1.4
73.02945	3.0
73.37090	0.2
74.72018	0.2
75.00895	0.3
83.01380	3.1
85.02953	5.4
86.00111	0.6
87.00868	0.6
88.98830	0.3
89.02436	7.1
89.82805	0.3
90.19751	0.3
92.66605	0.3
93.03456	4.4
95.01387	1.4
96.96008	0.6
99.00882	1.7
100.73209	0.3
101.02435	9.3
107.69982	0.3
108.02187	1.1
109.02924	0.5
111.00887	1.0
113.02455	4.6
116.37032	0.3
116.92896	0.5
119.03481	2.5
119.05013	0.3
121.02941	6.0
122.03732	13.5
123.04515	1.9
124.01701	0.3
125.02464	1.1
132.02174	0.4
133.02977	5.2
134.03722	1.9
135.04582	0.7
136.01668	1.8
137.02438	3.7
138.03217	0.4
141.01981	0.4
143.03511	0.3
146.03789	0.4
147.04460	0.4
149.02452	32.3
149.06087	1.4
150.03230	100.0
151.03944	0.7
152.62532	0.3
153.61349	0.3
161.04582	1.1
163.04068	0.3
164.04819	6.8
165.05569	73.7
166.06339	4.5
167.07155	1.8
171.10307	0.7
177.05539	0.4
179.05634	4.0
179.07031	0.5
180.04327	5.8
181.05084	1.9
181.08705	4.6
195.06641	24.0
225.11374	0.3
233.15483	0.4
283.09805	0.5
314.11691	3.3
315.12543	1.2
329.13980	7.3
343.14032	8.7
362.13779	1.8
371.15094	0.4
371.20068	0.3
377.16101	6.4
413.21973	1.3
417.27383	0.3
476.16055	0.4
491.19302	51.2
492.19910	0.6
503.25342	0.4
539.21686	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	539.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43178	0.5
59.01371	0.6
61.47471	0.5
61.98839	0.6
63.02412	2.4
65.00337	3.4
70.32999	0.5
83.01403	0.5
89.00311	0.5
89.03993	0.9
90.78411	0.5
92.02718	0.6
93.03440	0.9
107.01410	5.3
109.72169	0.6
112.33171	0.6
117.03469	10.4
118.03801	1.3
119.04987	0.6
121.02972	0.7
123.04585	0.7
125.02478	1.2
133.02980	2.8
135.00905	2.2
144.77393	0.7
149.02423	1.3
151.00429	8.9
159.04518	2.7
171.04655	0.9
177.01950	10.6
193.01448	2.5
195.04536	0.9
199.04102	1.1
215.03493	0.8
223.03975	1.0
225.01883	1.0
241.04887	1.1
243.02979	2.8
251.03554	0.8
269.04547	0.8
307.05890	2.5
308.06464	1.1
319.06158	3.4
323.38419	0.6
331.06021	4.3
332.06482	3.3
333.07120	6.1
334.04517	0.8
335.04794	0.9
343.06174	3.8
345.07718	4.1
359.05627	0.6
361.07404	5.7
363.08563	4.2
369.07898	4.2
375.05048	4.0
376.05457	10.9
377.05716	12.9
387.08804	0.7
395.05856	0.8
401.05997	2.8
418.06470	0.9
419.06857	3.4
445.04385	0.7
471.10782	1.3
538.08386	0.8
539.09717	100.0
540.10181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61493	0.2
54.58414	0.2
54.93027	0.2
56.64378	0.2
63.02402	0.5
63.64865	0.3
63.73669	0.3
65.00321	7.2
68.99837	0.4
82.93890	0.3
83.01379	2.5
90.99069	0.3
91.01902	0.3
92.99808	0.6
93.03474	1.6
107.01392	4.3
110.00135	2.3
110.82981	0.3
117.03459	13.0
117.04262	0.5
119.01375	1.2
119.05014	9.3
119.05789	0.4
120.99327	0.5
125.02459	1.8
131.05043	0.3
132.02075	0.3
133.02959	1.9
135.00871	0.3
136.98805	3.6
143.05026	2.6
145.02986	0.6
148.98782	0.3
149.02483	0.5
149.99586	0.5
151.00374	9.7
155.05019	2.5
155.47287	0.3
156.05956	0.3
157.02934	1.3
159.04504	1.5
161.02452	1.6
163.00343	2.3
164.01134	1.2
165.99091	2.9
166.99763	0.4
167.05028	1.3
169.06596	0.6
171.04536	1.6
175.03923	0.4
177.01947	8.4
181.06554	0.5
183.04538	2.2
184.05247	0.5
185.02423	0.3
185.06062	0.4
187.04053	0.7
189.05562	0.3
190.99878	0.5
195.04536	3.6
196.00221	0.6
196.05327	2.6
197.06073	1.2
199.04057	1.5
200.04829	2.4
201.05464	0.3
211.04022	4.1
211.07608	0.6
212.04782	1.8
213.02058	0.4
213.05637	0.5
223.04022	1.8
224.04800	1.2
225.05626	1.1
227.03474	2.9
227.07050	0.4
228.04338	0.5
239.03517	6.1
240.04294	4.2
241.05022	2.6
243.03023	0.5
245.70119	0.3
253.05064	3.7
255.02974	3.4
256.03714	2.0
267.03021	2.9
267.06430	0.5
268.03787	6.2
269.04562	9.8
273.09183	0.5
283.02515	4.5
284.03287	41.1
285.04047	6.4
289.08694	0.4
291.06708	0.5
293.04568	1.0
317.08142	0.6
319.06204	1.7
331.06262	1.4
332.07040	1.5
333.07697	0.3
351.05142	1.7
359.05579	3.1
360.06381	5.2
361.07202	18.9
375.05240	0.4
385.07361	2.3
387.08783	71.6
388.09213	1.5
391.04834	1.0
411.08871	4.6
413.06628	2.0
419.04514	0.5
429.09882	1.7
445.05106	0.4
451.11923	0.5
453.09967	7.0
455.07773	6.1
471.10880	1.9
495.10892	8.6
539.09912	100.0
540.10297	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	539.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81294	0.8
59.01386	1.8
61.98837	2.4
65.00326	2.0
68.44045	1.0
82.74776	1.0
84.09976	1.1
84.95970	1.0
93.03454	1.3
94.94920	1.0
102.19020	1.0
117.03470	23.0
122.03735	2.2
122.17052	1.1
125.02444	2.2
132.02223	1.2
132.36104	1.1
133.02946	8.0
135.04515	1.9
135.97780	1.0
149.02467	2.5
150.03282	1.7
151.00429	1.4
151.04002	1.4
155.05009	8.9
157.02914	6.7
159.04491	2.4
161.02397	2.0
164.04807	5.7
169.06589	1.3
171.04491	1.6
177.01936	39.0
177.80640	1.0
179.07175	1.5
182.20543	1.1
183.04509	2.1
185.02455	2.4
196.05266	5.6
199.04033	1.6
211.03983	1.4
240.04356	10.3
241.05040	4.6
243.02991	2.5
251.03386	4.2
268.03729	3.9
293.04550	2.2
303.06879	1.3
315.06671	2.5
316.07373	2.5
317.08221	1.8
319.06305	2.5
331.06168	4.1
332.06763	4.0
333.07602	1.8
359.05722	10.2
360.06424	27.8
361.07224	95.6
387.08902	5.2
400.16760	1.3
413.06769	5.9
458.43887	1.2
539.09906	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	537.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61747	0.3
53.61996	0.3
53.78203	0.3
53.98579	0.4
59.01383	2.4
61.98815	0.6
63.56948	0.3
77.03976	0.6
85.50876	0.4
88.98788	0.6
89.02475	0.8
89.03961	0.5
89.30009	0.4
91.04005	1.0
92.10113	0.4
93.03465	0.5
95.05027	2.8
105.03458	15.1
110.19154	0.5
110.20041	0.4
117.03444	1.7
119.01431	0.5
121.02948	0.8
123.04500	2.1
132.02164	7.3
133.02954	65.0
134.03740	16.9
135.04550	6.1
137.02443	3.8
139.04019	0.9
145.02969	0.8
145.06622	0.5
147.04494	1.8
148.05309	1.9
149.02429	0.9
149.06052	2.0
150.03175	0.8
151.04060	0.4
155.05722	0.5
159.04520	0.4
160.01665	40.2
161.02452	26.3
161.06104	3.3
161.07193	0.4
171.04573	0.6
171.08165	0.5
174.00769	0.4
175.04005	78.6
176.04445	0.5
177.01892	3.8
178.02713	2.4
179.03479	3.7
184.91617	0.5
193.05077	6.5
195.58575	0.4
233.08260	0.5
247.09749	0.7
261.11343	4.1
272.05997	0.4
287.22308	15.7
289.14542	0.5
291.12485	4.0
301.14465	0.5
305.13782	0.5
312.45938	0.4
319.15509	0.8
331.06152	1.0
347.18637	0.9
361.20313	4.5
363.25479	2.8
375.05032	3.0
375.21811	0.8
377.27057	3.0
387.25424	0.8
403.24921	0.9
417.05997	0.9
431.24490	9.6
445.25992	20.2
449.25525	2.8
463.27121	33.3
464.27328	0.6
522.28064	2.9
537.08899	3.5
537.30762	100.0
538.30963	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	538.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11485	0.4
57.03457	4.2
59.01397	3.6
62.35287	0.5
67.01921	2.1
68.65132	0.6
71.01401	1.0
78.95909	57.9
79.31922	0.5
83.01389	0.5
84.35993	0.6
85.02961	26.5
85.03454	1.1
87.00885	38.8
89.02466	1.2
92.10802	0.6
96.96004	0.9
96.96963	18.6
101.02448	0.8
111.00886	100.0
129.01112	0.8
129.01898	5.5
130.99861	1.1
134.04726	10.5
138.98134	0.9
150.98056	1.0
152.07094	0.7
167.08180	0.7
173.00975	4.2
176.76361	0.5
178.08492	0.6
191.01990	74.0
211.00247	0.9
223.89253	0.7
242.06758	0.9
295.10452	1.1
332.13968	0.6
346.05612	27.0
435.29306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55039	0.5
65.00318	4.3
82.64867	0.6
85.29108	0.5
92.10800	1.2
93.03452	15.2
106.93324	0.7
121.02958	18.2
131.01414	4.7
133.02936	0.7
137.02434	1.5
147.00845	0.9
148.01682	0.8
149.01263	1.3
149.02451	33.9
150.03227	11.2
151.04028	3.2
152.65805	0.6
153.01939	4.2
164.04774	6.2
170.81300	0.7
174.06934	0.9
176.01173	11.0
177.01938	19.8
177.05457	5.3
177.71953	0.7
178.02771	0.9
186.07793	0.7
191.03514	20.4
193.01390	2.8
194.02202	3.5
195.02954	2.6
208.97803	0.7
209.04497	0.8
211.56195	0.6
263.09204	3.0
271.22772	3.3
277.10883	1.4
291.12604	0.7
305.13971	1.4
319.15515	1.5
333.17130	2.8
343.19028	1.2
347.18677	1.5
361.20224	4.7
375.21762	2.3
377.26794	0.9
379.75009	0.7
389.23312	2.4
404.25781	0.9
431.24536	5.1
445.25958	17.9
448.24796	2.7
449.25403	6.2
463.27182	10.1
467.14050	0.6
491.26746	1.4
522.28418	12.3
537.30743	100.0
538.30774	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	537.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	10.1
60.99323	7.5
61.98840	4.3
62.37714	3.9
64.77839	4.7
69.38428	3.7
70.15479	3.7
78.95925	18.7
88.98815	72.8
109.02975	5.2
119.04986	4.2
120.50563	4.7
121.02965	18.0
129.02000	4.6
135.04530	4.6
145.02963	4.3
149.29933	4.1
171.00732	7.1
180.07933	9.6
223.09798	10.2
258.77274	4.2
277.08829	5.7
293.08276	34.1
305.08316	19.7
306.09045	6.7
307.09900	17.0
308.10583	22.8
309.11499	32.2
319.09509	5.4
320.10464	10.2
321.11337	24.7
323.09360	6.8
323.12918	21.6
325.11005	6.0
326.11703	8.5
335.12982	8.0
338.11649	6.3
391.46771	4.4
459.14502	15.8
474.16635	17.0
477.19385	100.0
489.19266	61.2
504.18304	5.0
507.20139	16.7
519.20361	85.1
537.24066	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	537.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71210	0.2
63.25180	0.3
64.99008	0.3
65.00318	6.2
65.03970	0.4
75.02410	0.6
77.03992	0.3
93.03449	19.1
95.05047	0.3
103.01905	1.1
105.03469	1.2
105.26615	0.3
110.14771	0.3
112.02113	0.3
112.78011	0.3
119.01347	0.3
121.02948	24.8
123.04513	0.4
131.01381	8.0
132.02142	0.4
133.03020	1.2
137.02449	2.4
142.33817	0.3
147.00880	1.3
148.01656	2.2
149.02444	40.5
150.03226	16.7
150.75427	0.3
151.04022	4.5
153.01959	4.9
155.03488	1.4
160.05289	0.5
161.06154	0.5
163.04004	2.8
164.04810	7.6
165.01991	1.4
165.05537	0.5
174.06834	1.7
175.00366	1.3
176.01154	16.4
177.01930	25.1
177.05536	6.0
178.02731	3.0
187.03981	0.4
187.07608	0.4
190.02798	0.3
190.67432	0.3
191.03503	27.9
193.01378	2.5
194.02200	4.6
195.03014	3.8
209.04659	0.5
210.01738	0.7
220.11179	2.1
221.04469	0.5
249.07779	3.0
263.09286	4.5
271.22809	4.9
273.11346	0.5
276.17484	0.7
277.10834	4.1
291.12338	2.6
301.14572	0.4
305.13983	4.0
311.55042	0.3
315.16174	0.5
319.15619	2.5
329.17606	0.7
333.17099	4.1
343.19073	2.3
346.06876	0.4
347.18707	3.3
360.26691	0.4
361.20264	9.1
363.25641	0.5
375.21774	3.2
377.27118	1.6
385.23904	0.6
389.23462	1.4
390.19894	0.3
403.24710	1.4
404.25769	2.5
413.22845	0.4
413.53473	0.3
427.33224	0.4
431.24405	4.9
445.26068	19.2
447.24115	1.4
448.24561	3.3
449.25531	7.2
462.25934	0.4
463.27066	10.7
491.26669	0.7
522.28369	12.9
522.36127	0.4
537.30780	100.0
538.31018	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	537.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30342	1.1
54.35714	1.2
59.01386	2.7
64.35193	1.5
68.21324	1.2
71.07803	1.1
85.02970	1.7
91.50639	1.3
102.69798	1.4
106.42683	1.4
108.02166	7.3
109.02928	12.2
121.02924	7.0
123.04515	10.5
134.03674	1.4
135.04520	8.4
136.01657	100.0
137.02432	9.0
145.02951	2.8
146.03651	1.7
147.04494	1.8
147.06517	1.4
148.05351	1.7
149.06108	2.4
150.03218	6.4
151.04012	83.1
151.05251	2.7
158.03725	1.6
159.04485	5.5
160.05286	6.1
161.06097	4.9
162.03226	6.6
163.04076	12.4
164.04791	1.4
173.05994	1.7
175.03978	3.1
175.07623	3.0
176.04756	2.2
177.05542	7.6
182.02211	5.9
185.06046	2.8
187.07497	1.8
189.05580	12.0
190.06323	3.1
191.07094	1.7
201.05646	2.6
203.07140	5.2
206.87393	1.3
217.08743	1.9
222.05420	1.9
234.64423	1.6
264.07739	2.0
274.86813	1.3
280.07462	2.2
281.08200	7.9
282.08905	2.0
292.07391	2.4
293.08289	11.4
294.08914	1.4
295.09811	3.2
296.10501	5.4
301.10870	2.7
305.07996	1.9
305.11511	1.5
307.09796	9.0
308.10635	13.2
309.07788	2.3
309.11359	8.6
310.12115	5.2
315.12772	1.6
320.10257	1.5
321.11115	2.1
322.12091	3.1
323.12845	1.9
324.10349	2.0
325.10779	2.6
326.11856	3.2
327.12204	2.8
328.09607	1.9
331.12042	3.2
337.10919	2.1
338.11462	7.1
339.12393	6.0
341.13895	2.5
356.12714	2.5
368.12460	5.7
369.13364	5.2
371.14993	5.3
375.05136	6.0
385.12265	1.7
429.13486	2.8
432.16028	1.7
443.15189	1.7
444.15848	5.8
447.18121	8.1
458.17560	1.5
459.18127	7.1
471.18616	1.6
474.17068	1.4
477.19321	17.2
489.19278	12.1
507.20251	80.6
519.20172	5.1
537.08252	4.8
537.21289	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.2
61.98859	1.1
62.63282	0.9
81.42430	1.2
91.68960	1.1
93.03420	1.2
96.96006	1.4
109.02979	2.3
117.03437	2.1
119.13746	1.1
121.02979	10.9
122.03736	4.3
136.01662	100.0
137.02464	5.6
142.59950	1.0
145.06645	1.0
150.46756	1.1
151.04019	98.8
152.04349	1.1
161.06052	1.5
175.04048	4.8
176.04840	2.0
177.05510	1.2
191.07155	6.3
279.79709	1.2
312.10022	2.6
326.98511	1.1
327.12390	19.0
331.05850	1.5
342.11102	4.5
357.13504	51.3
375.05252	5.9
507.20523	2.1
515.44025	1.2
524.37054	1.2
534.72711	1.2
537.08325	5.9
537.21277	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	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
62.66871	0.6
76.57235	0.6
96.96026	0.9
109.02949	33.1
117.03397	0.7
118.16756	0.8
121.02960	2.4
122.03711	1.3
123.00848	0.7
136.01660	12.7
137.02440	0.7
137.94980	0.6
143.05038	0.8
145.02960	3.2
146.03729	3.8
147.04518	1.2
151.04008	12.5
158.03810	0.8
159.04510	1.4
160.05273	1.4
161.06093	2.6
172.05327	2.4
173.06175	0.7
175.04005	6.5
175.07533	0.9
176.04840	5.3
188.04892	0.7
189.05595	6.1
190.06366	5.5
191.07129	6.0
223.07623	0.7
239.07106	4.9
239.83289	0.6
249.05536	1.3
250.06419	2.4
251.07114	4.1
261.05557	1.0
263.07065	0.7
266.05795	1.4
267.06647	63.9
268.07236	0.8
278.05612	0.9
279.06662	11.4
281.08115	1.1
282.08984	50.0
293.08182	1.0
294.08905	4.7
297.11322	100.0
297.52808	0.6
300.26898	0.7
312.10049	13.8
315.12585	0.9
327.12427	52.5
345.13458	30.4
357.13477	7.5
375.14539	43.4
492.09494	0.7
537.19806	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40411	0.5
59.01399	2.9
61.98832	0.9
64.48865	0.5
71.01380	0.9
74.39711	0.8
78.66997	0.7
89.02474	0.7
109.02960	19.7
121.02969	3.5
122.03732	0.7
123.00871	0.9
123.04526	0.9
132.48323	0.7
135.04535	1.3
136.01656	13.6
137.02419	1.4
142.06822	0.7
145.02936	1.3
146.03737	4.3
147.04543	1.2
151.04016	14.7
154.52002	0.8
159.04526	0.8
160.05266	1.4
161.06070	3.4
171.04536	1.1
172.05302	4.7
175.04016	12.2
176.04781	7.4
189.05630	7.1
190.06335	9.6
191.07137	9.6
223.07813	0.9
250.06314	1.1
251.07166	5.9
261.05658	3.3
262.06454	1.1
266.05829	1.1
267.06631	18.7
278.05862	0.9
279.06659	17.2
282.08994	8.5
293.08295	3.1
294.09012	8.7
297.07803	5.2
297.11377	19.3
309.11511	3.0
311.09799	1.1
312.10089	21.7
315.12424	3.5
327.12436	100.0
328.12656	1.2
330.76559	0.8
345.13483	9.1
357.13474	15.4
375.14514	11.2
447.14166	6.0
537.17236	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67533	0.5
57.03454	0.5
59.01394	2.3
59.30009	0.5
61.98835	0.5
71.01402	2.0
73.70467	0.5
74.36427	0.5
77.66655	0.5
85.02982	0.8
101.02453	0.9
104.75381	0.5
108.02182	6.0
109.02962	20.4
116.92851	0.7
121.02968	3.6
122.03771	2.0
123.00885	0.5
123.04534	4.6
135.04587	1.1
136.01665	10.6
137.02446	2.8
145.02937	2.1
146.03748	5.0
147.04582	2.1
151.04008	11.2
158.03770	2.2
159.04536	1.2
160.05309	2.6
161.02431	0.7
161.06062	4.1
171.04532	0.6
171.46825	0.5
172.05295	3.6
173.06102	0.8
174.03221	2.1
175.04005	12.9
176.04794	29.3
179.03464	0.7
179.07161	2.7
187.03999	1.2
189.05574	7.6
190.06351	7.5
191.07162	38.6
209.08188	1.2
223.07707	0.8
239.07120	1.1
248.24120	0.7
250.06451	0.7
251.07170	4.2
261.05603	2.9
262.06418	2.1
263.07104	1.0
266.05835	4.3
266.09219	1.0
267.06693	12.1
278.05838	1.3
279.06662	16.2
281.08224	4.5
282.09076	4.6
293.08206	2.9
294.08978	8.6
296.10687	1.9
297.07782	4.8
297.11362	16.0
309.11417	3.1
311.09052	0.9
312.10080	25.9
315.12436	2.7
327.12436	100.0
328.12857	0.8
345.13470	20.9
357.13504	15.7
375.14517	19.4
442.78546	0.6
447.14178	1.0
471.14902	0.6
537.20728	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	537.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	47.7
59.01390	100.0
61.98834	5.1
71.01381	21.8
72.99298	2.4
73.02952	7.4
75.00919	1.2
81.03442	3.0
83.01368	1.7
84.61325	1.1
85.02960	6.0
89.02439	20.1
96.45390	1.2
96.95999	2.4
99.04511	48.8
101.02439	22.1
113.02446	11.3
116.92888	1.4
119.03474	7.3
125.02429	26.0
127.29351	1.1
143.03549	2.3
161.04543	4.6
163.07729	1.6
177.09213	7.5
179.05559	2.1
193.04976	1.8
195.10297	2.7
225.21626	1.2
315.12497	2.9
357.15521	8.1
397.51596	1.3
399.16534	21.3
439.19525	3.0
457.20721	11.1
501.19849	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1978
Annotation	Tanegoside
Peak:m/z	Relative Intensity
54.51206	0.5
57.03459	2.4
59.01382	48.5
61.98843	0.9
71.01392	3.2
71.52557	0.5
72.65285	0.5
72.99289	0.8
73.02940	18.7
83.01392	1.1
84.02885	0.5
85.02951	0.9
89.02435	1.4
99.04527	1.3
101.02441	2.9
108.02196	5.0
113.02466	2.5
116.92880	2.1
117.21621	0.6
119.05017	3.4
120.50897	0.5
121.02940	10.5
122.03740	0.7
123.04530	7.8
124.01643	1.2
125.02451	1.1
125.74022	0.5
134.03748	2.3
135.04523	25.4
136.01692	0.7
136.05292	10.0
150.03194	2.5
151.04008	4.2
151.07642	8.5
161.04518	0.9
162.03232	1.2
165.05595	5.1
167.31409	0.6
171.22563	0.6
177.05537	3.0
178.02791	0.8
180.04219	0.7
184.42720	0.5
189.09755	0.6
193.05077	1.2
194.05847	20.4
195.06636	100.0
204.04236	2.3
205.93739	0.6
209.08209	60.7
219.06699	4.9
296.16025	0.6
349.98911	0.8
370.97836	0.6
375.14529	67.1
399.14951	1.0
438.66971	0.7
455.48172	0.7
501.19730	3.8
507.18805	0.8
537.19971	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	537.0829
Annotation	Cupressuflavone
Peak:m/z	Relative Intensity
63.02396	4.1
63.02687	0.2
65.00326	4.2
76.49250	0.2
83.01416	1.4
93.03452	4.8
93.20795	0.3
107.01387	5.3
117.03456	19.0
118.86945	0.3
126.49906	0.2
135.04562	0.5
149.01212	0.2
149.02458	1.1
151.00365	6.8
155.05055	1.3
157.02975	0.4
158.03809	0.4
159.04520	9.2
161.02461	1.4
179.05020	2.8
191.05029	0.6
193.06519	0.4
195.04564	1.1
197.06122	1.3
203.03513	1.9
209.06137	0.3
217.06554	0.3
219.04361	0.3
220.05333	0.5
221.06134	2.5
223.04060	3.9
233.06131	0.4
241.04929	0.3
245.06160	1.1
247.04112	0.6
259.07611	0.5
261.05493	1.2
263.07062	1.0
265.05042	0.6
267.03015	1.0
277.05130	1.1
285.05664	0.4
286.06369	0.3
287.07202	1.4
289.05139	1.1
301.05170	1.0
303.06656	0.4
305.04587	8.1
307.06140	16.8
309.04041	2.7
319.06104	1.1
327.86038	0.3
329.04507	2.0
330.05222	1.1
331.06165	38.6
332.06699	0.4
333.04108	9.2
343.06085	2.2
347.05646	1.5
355.06125	1.2
357.04056	4.1
371.05557	0.5
373.07083	1.5
375.05142	97.4
376.05292	0.4
398.04501	0.5
399.05115	17.7
401.03033	5.7
417.06201	24.0
424.92081	0.3
443.04144	6.4
537.08344	100.0
538.08545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	47.7
59.01390	100.0
61.98834	5.1
71.01381	21.8
72.99298	2.4
73.02952	7.4
75.00919	1.2
81.03442	3.0
83.01368	1.7
84.61325	1.1
85.02960	6.0
89.02439	20.1
96.45390	1.2
96.95999	2.4
99.04511	48.8
101.02439	22.1
113.02446	11.3
116.92888	1.4
119.03474	7.3
125.02429	26.0
127.29351	1.1
143.03549	2.3
161.04543	4.6
163.07729	1.6
177.09213	7.5
179.05559	2.1
193.04976	1.8
195.10297	2.7
225.21626	1.2
315.12497	2.9
357.15521	8.1
397.51596	1.3
399.16534	21.3
439.19525	3.0
457.20721	11.1
501.19849	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25199	0.4
61.98835	3.6
63.02407	0.9
65.00317	5.5
89.02307	0.5
93.03466	1.2
107.01413	2.8
110.00119	2.3
114.36642	0.6
117.03479	17.2
119.01362	0.6
136.98808	4.4
149.02513	0.8
151.00374	5.6
156.07767	0.5
159.04543	1.2
161.02437	1.3
163.00340	1.3
165.99164	1.9
167.05034	1.3
171.04430	1.1
181.06783	0.6
183.04492	1.4
195.04524	3.3
199.04016	0.8
200.04831	0.6
211.04007	6.1
212.04720	0.6
227.03552	2.6
239.03490	6.1
253.05124	3.8
255.02980	3.1
256.03769	1.0
267.03021	1.3
268.03809	2.9
269.04578	12.7
277.05060	1.3
283.02490	3.0
284.03271	18.8
285.04089	2.8
305.04565	1.1
307.06192	0.9
331.06036	7.2
333.04184	0.8
347.05634	2.6
375.05176	11.8
385.07352	1.0
389.06912	0.6
399.05112	2.2
411.76010	0.6
417.06100	4.4
443.04196	0.7
465.09717	0.9
469.09421	3.4
493.09348	2.1
537.08331	100.0
538.08624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3132
Annotation	glas#24
Peak:m/z	Relative Intensity
53.18629	0.6
55.01886	0.9
57.03448	1.1
59.01389	40.6
61.98828	1.3
62.33478	0.8
71.01386	13.7
72.99331	1.0
73.02942	2.1
82.02091	0.9
83.01392	2.2
83.64997	1.0
85.02964	3.8
89.02444	8.7
89.92985	0.9
90.49556	1.0
95.01438	1.5
96.61105	0.9
99.00864	1.2
101.02433	10.8
109.05418	0.9
113.02440	4.7
119.03463	2.1
119.05006	1.3
135.04497	1.6
139.11282	1.1
151.04118	1.0
166.02605	1.3
185.11899	7.4
192.04398	1.0
195.06607	6.2
271.06113	1.8
272.06073	1.1
325.23782	2.0
355.20526	1.6
355.24887	24.2
373.16907	3.3
373.25980	6.4
535.18005	3.7
535.31311	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	537.083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97245	0.1
53.98572	0.1
61.98841	0.4
63.02411	0.7
63.23824	0.1
63.45581	0.1
64.05537	0.1
65.00327	2.5
68.44858	0.1
78.95909	0.2
81.03467	0.1
83.01403	1.5
87.02425	0.2
91.01886	0.2
93.03459	0.3
95.05025	0.2
105.03457	2.4
107.01394	5.2
108.02160	1.6
112.10278	0.2
117.03473	2.7
119.01381	0.6
121.02945	2.4
125.02377	0.2
133.02968	0.7
136.01689	1.1
147.00890	1.1
149.02451	20.0
149.99611	0.2
150.02730	0.2
151.00380	13.7
152.99625	0.6
155.05028	2.2
157.02968	0.7
159.04535	0.4
161.02391	0.3
164.01187	1.1
167.01486	0.1
175.00485	0.2
191.98073	0.2
192.00667	16.6
193.01431	100.0
194.01735	0.6
199.04047	0.2
211.13533	0.2
223.04045	0.3
227.03491	0.2
241.05060	0.7
265.04959	0.2
267.02985	0.3
307.06281	0.3
331.06113	0.8
343.06219	0.2
359.09573	0.2
361.07233	14.5
362.07431	0.3
375.05099	1.8
385.07272	1.0
399.05295	0.2
417.06216	0.2
517.03595	0.2
537.08344	53.9
538.08679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.4
56.76824	3.0
57.03194	5.8
57.03454	96.4
57.41031	2.9
58.21284	3.9
59.01381	100.0
61.98834	20.2
71.01384	31.6
71.39865	3.2
73.02934	5.2
79.51713	3.2
82.22078	3.6
82.72437	3.4
83.01381	4.4
85.02944	15.7
86.49433	3.6
89.02463	14.2
92.66340	4.1
99.04511	50.8
101.02436	46.0
113.02451	15.2
119.04973	4.0
125.02446	30.9
134.02959	3.4
149.02379	5.3
149.40820	3.8
150.03154	6.0
151.00374	7.0
162.45378	3.5
177.92180	3.8
221.11784	7.8
271.06104	4.6
367.95349	4.1
373.22284	16.9
391.23471	34.7
535.28186	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	535.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58967	1.5
56.96499	1.7
59.01381	2.3
82.70936	1.7
90.56435	1.8
94.72498	2.0
95.05038	2.5
95.46983	1.8
101.39969	1.9
105.03477	13.2
108.10075	2.0
121.02915	3.0
121.67305	1.9
123.14423	2.2
132.02132	9.3
133.02963	59.8
134.03743	20.4
135.04485	7.5
137.02429	4.7
147.04524	3.3
149.05977	2.7
152.99507	2.9
155.79495	1.9
160.01645	43.7
161.02480	21.9
161.06129	2.5
175.03990	85.7
177.01920	7.3
178.02744	2.9
193.05042	8.0
247.09724	10.2
285.20688	19.8
317.14014	6.8
349.73792	2.1
359.18774	2.4
429.23013	8.7
443.24469	18.6
447.23434	2.1
461.25491	34.8
535.21161	6.1
535.29156	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	535.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50397	0.7
54.87834	0.7
59.01387	2.0
77.03946	1.3
79.64994	0.9
95.53686	1.0
105.03454	13.1
121.02933	1.0
123.04527	1.5
132.02147	6.4
133.02957	51.4
134.03723	16.5
135.04541	7.4
137.02446	5.1
147.04526	1.7
152.99565	1.1
153.20003	1.0
155.74176	1.0
160.01659	38.1
161.02448	23.2
161.06042	3.5
175.04010	70.5
178.02713	5.0
179.03493	3.6
193.05045	7.0
247.09856	8.4
257.11719	1.4
261.11343	4.2
285.20718	15.4
296.22369	0.9
317.14072	7.5
359.18600	3.8
373.20187	1.3
375.25656	3.4
387.21805	1.2
429.22830	8.2
443.24557	17.9
444.25552	1.1
447.23981	2.1
461.25558	29.4
520.26801	1.5
535.29211	100.0
536.29449	1.8
538.15485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.232
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
59.01381	31.2
70.58297	11.4
77.02125	12.3
88.45791	10.4
94.69737	13.4
99.94591	11.4
108.43140	15.1
123.56274	11.2
127.17487	11.9
151.00380	12.2
169.94270	12.3
216.95351	13.9
232.04898	14.2
240.44904	14.8
263.16638	56.3
271.06137	21.2
290.65558	12.3
466.06973	12.8
535.23370	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	535.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90492	9.5
55.48332	12.4
71.26205	11.1
86.96814	13.0
110.60307	10.8
119.05029	13.2
123.04505	12.4
134.83499	11.8
136.01683	74.7
149.48109	12.3
150.03304	11.8
151.00314	15.3
151.04015	68.4
263.16562	23.6
269.04562	14.7
281.04532	16.2
284.06760	16.2
475.17603	14.7
487.18155	14.3
502.17416	13.0
505.18610	72.6
517.18536	100.0
527.58594	15.4
535.22772	14.4
554.67719	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	535.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51839	1.0
54.82626	1.1
55.01885	1.1
57.03451	91.5
57.59520	1.0
58.63964	0.9
59.01381	100.0
61.25599	1.2
61.98842	1.6
71.01380	28.7
73.02946	10.9
83.01387	3.1
85.02977	7.8
87.00890	1.6
89.02437	29.7
89.02940	1.8
93.78069	1.1
95.01406	1.7
96.95977	1.4
99.00842	1.6
99.04509	58.8
101.02435	39.5
107.03850	1.2
113.02456	12.6
119.03481	12.8
123.04612	1.6
125.02431	29.1
128.58357	1.3
143.03534	3.0
149.02460	5.8
149.10190	1.2
161.04588	2.8
179.05562	2.6
220.48944	1.2
229.18027	2.6
239.07315	1.4
279.31274	1.2
283.09567	1.8
295.05975	1.7
311.08987	1.3
311.13312	1.6
325.06503	2.1
328.08734	1.5
340.09451	2.3
341.10220	2.5
343.11362	8.6
353.10312	2.5
355.11258	12.5
363.86700	1.4
373.12985	1.7
373.22198	10.8
391.23425	25.7
392.23706	1.5
427.10797	6.1
433.24545	17.6
473.27710	2.5
475.13284	1.6
491.28806	1.6
535.27667	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	59.1
58.00616	1.2
59.01387	100.0
61.98843	4.8
65.00333	1.5
71.01385	20.9
71.05003	1.3
73.02954	2.4
79.25485	1.2
81.03447	1.5
82.78844	1.1
83.01388	3.0
85.02956	11.2
89.02460	21.3
92.10814	1.5
93.03457	1.8
95.01413	2.9
97.06600	2.6
99.04521	43.2
101.02445	24.9
107.01374	2.5
113.02457	17.6
119.03539	9.1
119.05014	6.8
121.21190	1.2
125.02455	20.8
129.09212	7.2
139.07541	2.0
143.03447	2.7
143.07153	5.3
149.04546	1.6
151.00395	11.5
151.07675	1.4
155.10783	2.5
157.08694	5.4
161.04579	5.1
169.08766	10.0
181.08621	2.1
182.90970	1.1
219.17610	3.0
229.18056	2.0
253.09303	9.6
263.16580	1.7
271.06122	15.4
272.06451	2.1
281.17599	14.4
299.18665	23.8
330.03616	1.6
373.17056	4.5
373.22284	16.2
373.26053	3.4
391.23462	33.1
433.24411	7.9
459.10925	2.5
474.75739	1.3
505.15057	13.0
517.15131	7.6
535.16492	12.5
535.32330	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	535.1826
Annotation	Phellavin
Peak:m/z	Relative Intensity
52.55401	0.4
54.82522	0.3
55.79495	0.3
59.01387	2.5
59.29908	0.3
71.01386	0.5
90.60104	0.4
91.77277	0.4
93.03454	0.6
108.02194	1.7
109.02956	0.6
121.02947	19.1
123.04517	2.0
124.19256	0.4
134.03734	7.8
135.04514	3.3
137.02443	0.9
138.60039	0.4
145.02954	2.6
147.04518	4.3
149.06110	3.1
159.04530	0.7
160.05270	0.7
161.04573	0.5
161.05998	0.6
162.06841	0.5
163.04012	0.4
175.07610	0.6
178.02698	6.2
193.05055	14.3
194.05788	2.2
196.05382	0.5
197.06227	0.8
209.06145	0.5
209.08119	0.6
211.07649	0.7
212.04732	0.4
220.45305	0.4
225.05562	1.8
225.09169	1.7
226.06172	0.4
227.07152	1.6
235.07681	0.4
237.05652	2.8
238.06393	0.5
239.07173	4.7
240.04343	2.7
241.05061	3.0
241.08765	2.0
251.07179	1.8
252.07938	1.7
253.05058	2.5
253.08701	2.9
254.05891	2.7
255.06616	12.2
256.07504	0.7
257.08243	0.6
263.07077	1.9
264.07938	0.7
265.08655	2.1
266.05801	0.9
267.06635	24.4
267.09906	1.3
268.07404	8.3
269.08203	37.5
270.08893	0.4
279.10208	0.7
280.07413	5.5
281.08170	13.1
282.08960	2.1
283.06525	0.7
283.09753	20.2
284.10504	6.1
295.09744	11.3
296.07156	0.8
296.10501	4.1
297.11194	0.8
297.51846	0.4
298.08405	0.6
299.09430	0.6
299.12930	2.3
310.08594	1.5
311.09302	24.4
311.12518	1.0
312.10141	1.5
322.08511	0.7
323.09378	2.3
324.09851	0.5
325.07230	2.8
325.10901	1.5
327.08829	0.6
328.09537	11.9
329.13846	0.7
337.10721	0.5
340.09549	36.8
343.11896	100.0
344.12271	2.0
355.11908	59.5
356.12524	1.4
373.12967	18.3
374.14368	0.5
385.12869	0.5
535.18378	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	535.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33665	4.1
59.01384	21.2
59.64116	5.0
85.91064	4.6
93.23429	5.6
104.38789	4.8
108.02171	9.1
109.02937	6.5
116.92871	8.0
119.05032	6.0
136.01663	68.7
137.02452	21.5
150.03275	6.0
151.00378	6.5
151.04016	48.1
176.04666	6.8
187.47958	5.9
241.05147	6.5
253.04900	10.3
263.16214	5.9
269.04498	20.1
271.05997	9.4
272.65240	4.9
280.07611	6.0
281.04581	29.4
284.06888	7.2
295.09589	7.5
296.06967	21.5
309.07565	5.5
311.09354	12.9
399.14621	10.0
409.23004	5.4
427.11166	5.8
475.17459	25.6
487.13281	14.8
487.17657	6.8
502.16367	11.0
505.18723	59.9
517.18768	100.0
535.22968	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	533.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23122	1.2
55.01896	2.0
56.57435	1.2
57.03456	87.5
59.01387	100.0
61.98843	10.6
68.65846	1.5
71.01379	33.5
71.04292	1.6
71.27524	1.5
73.02943	8.5
81.03478	1.7
83.01406	7.0
83.05051	6.5
85.02950	11.6
88.00192	1.4
89.02438	24.4
95.01376	2.1
96.96076	1.6
97.06578	3.2
99.04510	48.8
101.02434	36.7
101.03079	1.8
102.35818	1.4
109.06590	1.8
113.02451	14.4
119.03509	11.1
124.50309	1.6
125.02414	19.2
127.07635	3.1
128.03511	2.4
132.37854	1.8
135.08153	2.6
143.03488	3.4
143.07133	6.3
153.09241	10.9
155.10728	6.1
161.04549	7.8
169.08719	2.8
178.10013	1.8
179.05608	2.0
181.08769	12.6
202.54054	1.6
202.78543	1.7
208.37965	1.9
210.09070	2.3
211.01033	2.1
227.16573	2.9
253.09192	11.1
261.14938	2.5
277.07169	2.0
279.16013	30.8
297.17090	12.2
321.91107	1.8
371.20706	2.7
389.22052	12.9
431.22845	9.5
437.93747	1.8
471.26123	2.3
515.24707	3.1
533.25940	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	533.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90461	1.4
57.03453	74.4
59.01385	100.0
60.74625	1.6
61.98834	9.5
62.16383	1.3
67.77092	1.5
69.03404	1.5
71.01381	41.6
72.99329	3.4
73.02944	7.3
78.06953	1.6
83.01395	6.4
83.05045	7.8
85.02932	14.3
87.00880	2.4
89.02442	30.2
95.01353	3.3
95.05025	2.1
97.06607	2.2
97.76675	1.8
99.04508	42.4
101.02436	36.7
103.52448	1.9
113.02445	16.0
119.03519	14.1
121.76047	1.6
125.02422	16.3
143.03519	2.6
143.07114	9.6
153.09181	3.9
155.10753	2.7
161.04562	8.1
163.07574	1.9
169.08667	2.0
170.25069	1.8
179.05626	6.5
181.08728	12.8
210.08932	2.6
217.15958	2.3
223.45517	1.9
227.16634	3.1
235.17079	2.3
253.09230	10.2
261.14865	2.5
279.16055	33.4
297.17081	12.2
371.20685	2.4
375.97760	2.2
389.21835	10.6
424.76932	1.9
431.22922	11.0
446.18155	2.2
515.24908	7.1
533.26105	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	534.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69938	0.4
58.02983	8.7
59.01377	0.7
61.98853	0.7
62.34835	0.4
66.03509	0.7
71.01408	0.8
72.00903	0.6
74.02474	15.6
75.50412	0.4
80.03837	0.5
81.04589	0.6
82.02992	2.2
84.04579	0.6
86.02467	5.9
86.06131	0.8
87.05643	4.3
90.00194	1.1
92.65643	0.6
96.04550	0.7
97.04069	1.1
99.05629	16.3
100.00394	0.5
101.07213	2.9
102.05614	2.4
109.04078	3.0
109.07699	0.5
111.05626	0.9
112.04093	1.0
112.88955	0.5
113.03568	0.7
116.01756	1.0
123.05611	1.0
125.03628	0.9
127.05112	2.8
128.03534	41.8
129.99692	0.5
131.04634	1.8
135.05615	3.8
137.07191	1.0
141.06726	5.0
143.04623	60.5
145.06258	2.3
146.04594	5.6
149.07217	0.5
153.06702	4.6
153.71602	0.5
155.08286	0.8
160.00743	14.5
166.09869	3.4
167.04593	4.6
167.08260	2.7
167.18474	0.5
171.04082	0.8
171.07693	0.5
177.03407	4.1
179.04622	14.3
181.06108	1.9
185.05667	1.1
191.50833	0.5
192.07771	0.6
195.28996	0.5
197.05644	1.2
198.08812	0.9
199.20409	0.5
209.11838	2.3
210.08868	12.3
242.07779	2.1
254.07831	10.3
272.08859	16.7
288.06641	7.0
306.07684	100.0
534.21521	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	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72225	0.7
53.60984	0.8
57.03458	100.0
59.01388	91.8
61.98835	7.6
68.49892	0.8
71.01392	19.4
73.02962	3.9
76.27686	1.0
81.03469	3.7
83.01390	0.8
83.44679	0.8
85.02943	6.9
89.02451	20.3
92.10727	1.7
95.01417	1.2
96.72106	0.9
99.04520	79.7
101.02451	24.8
104.23472	1.0
113.02466	15.0
119.03512	7.9
125.02438	41.9
143.03519	6.0
149.04520	1.2
152.80045	0.9
153.09285	7.8
161.04546	5.2
179.05569	2.1
196.85220	0.9
209.15524	6.6
359.21240	1.0
371.20929	12.7
389.21899	18.6
431.22931	14.6
471.25897	1.1
533.26154	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	533.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47248	0.8
56.97871	0.8
57.03453	91.2
59.01383	100.0
61.98830	1.1
63.66272	0.9
68.73016	0.8
71.01376	20.1
71.05012	1.2
73.02959	5.6
75.00872	1.1
75.04168	1.1
75.30066	1.0
81.03465	3.9
81.65301	0.9
82.48022	0.9
83.01424	1.3
85.02961	7.1
87.00887	1.3
89.02445	7.9
95.01394	1.4
99.00876	1.0
99.04513	77.6
101.02436	19.8
103.00360	7.9
112.65180	1.1
113.02457	7.5
114.37511	1.1
125.02441	42.2
126.02739	1.0
139.07675	1.4
143.03506	4.2
151.04007	1.9
155.10799	8.2
161.04564	5.2
227.16597	10.3
306.07806	2.0
330.44339	1.0
353.06735	4.0
371.16922	1.7
371.21072	1.7
383.07672	2.3
389.21915	9.0
431.22946	8.4
441.13770	1.8
489.26721	1.1
497.26434	2.8
533.13300	7.3
533.25250	7.8
534.14282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.2
59.01376	1.8
61.77716	0.1
68.81713	0.1
68.97610	0.1
71.01386	0.7
83.05027	0.3
85.02950	14.7
87.00871	5.4
87.01366	0.3
93.03462	1.9
99.04519	0.3
109.02975	1.4
111.00916	0.8
111.04533	0.3
127.03126	0.3
127.04012	4.9
127.04858	0.3
129.01923	0.4
145.05099	0.6
155.03543	0.2
171.02991	1.0
173.04546	2.5
187.23302	0.1
191.05627	100.0
194.12970	0.2
194.78128	0.2
504.13144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28780	1.6
57.03453	100.0
58.77742	1.6
59.01383	83.8
61.52081	1.7
61.98831	3.2
63.02405	1.7
64.01021	1.8
66.30807	1.7
67.69858	1.8
71.01376	26.2
73.02943	17.0
74.20896	1.7
81.03482	2.2
83.01395	4.1
85.02963	10.4
89.02431	23.6
99.00877	1.9
99.04506	64.5
101.02434	41.7
101.95437	1.8
107.01422	2.1
113.02449	12.8
113.06049	2.4
116.92885	2.1
119.03494	10.3
119.05015	3.5
123.04517	3.8
125.02433	29.3
131.03496	2.3
143.03592	2.3
151.00301	3.2
153.09171	19.1
154.49959	2.0
157.47621	2.0
161.04575	3.7
209.15504	2.0
225.34119	2.0
239.10219	1.9
241.83224	1.7
271.06253	7.1
371.20926	7.5
389.21878	18.2
431.22711	13.4
533.25922	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.2
59.01385	3.9
63.85297	0.5
71.01371	0.9
80.06084	0.7
96.96055	0.6
99.04515	2.5
101.02422	0.9
109.02939	0.8
121.02960	2.7
125.02410	0.8
145.02959	0.9
147.04507	0.6
160.05312	1.4
195.08130	1.0
207.08160	3.1
209.06067	1.4
211.07692	1.5
215.47926	0.6
221.05981	2.1
222.06830	1.0
223.07640	5.9
224.04716	0.6
233.06186	0.8
235.07597	5.7
237.05574	2.7
239.07191	10.7
249.05580	4.4
250.06296	3.4
251.04655	1.1
251.07153	24.4
261.05493	2.9
262.06345	4.1
263.07190	12.0
264.07904	4.4
265.05008	1.3
265.08640	0.7
266.05856	3.3
267.06665	40.6
268.07013	0.7
277.05060	0.7
277.08710	1.1
278.06027	0.8
278.09280	1.4
279.06677	34.3
279.09802	1.3
280.07175	0.6
281.08133	2.6
282.09055	18.2
283.05884	0.8
292.07745	0.7
293.08237	2.6
294.05362	10.1
294.09012	12.7
295.06195	13.5
297.11310	7.8
305.43158	0.6
306.05231	0.9
307.06238	5.3
308.06882	3.7
309.07657	12.4
310.08459	4.4
311.05670	3.2
319.38562	0.6
321.07608	2.2
322.05115	0.8
322.08575	12.1
323.05676	35.6
323.09192	2.9
325.06924	0.6
326.07977	17.1
337.07275	1.4
338.08020	30.6
341.10349	62.2
342.10809	0.8
353.10358	100.0
354.10681	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	533.1671
Annotation	LMPK12111723
Peak:m/z	Relative Intensity
56.10886	0.9
57.03456	9.4
57.40586	1.1
59.01383	14.2
61.98829	2.6
68.11525	1.1
71.01385	2.7
84.14086	1.2
85.02972	2.0
89.02472	1.4
89.03657	1.0
93.03426	1.3
94.80887	1.0
97.83279	1.1
99.04527	4.7
101.02425	5.0
115.38574	1.2
119.05031	1.5
121.02922	10.3
135.04507	1.2
145.02943	6.0
147.04510	7.3
147.82707	1.1
148.05301	10.9
151.72908	1.1
159.04543	1.6
160.05319	1.8
162.03224	1.4
176.04849	2.1
177.02214	1.1
189.05469	1.7
191.03543	14.3
191.05008	1.5
191.05519	1.2
191.07092	13.4
192.04323	2.7
194.05794	2.7
195.08142	1.5
206.05757	1.3
207.08128	2.3
209.06108	1.9
220.03755	5.2
221.06131	2.3
222.06960	1.6
223.07645	9.5
224.03177	2.7
225.05492	1.5
235.05956	1.7
235.07936	1.4
237.05531	5.3
238.04523	9.3
238.06834	2.0
239.07166	12.4
248.04701	1.4
249.05556	7.7
250.06311	7.0
251.07120	27.6
252.07712	2.5
253.08713	2.6
261.05560	1.9
262.06311	7.0
263.07208	13.0
264.07895	7.6
265.05045	8.0
265.08698	2.7
266.05872	21.8
267.06650	59.2
268.07379	1.8
277.05075	7.4
277.08337	1.2
278.05722	2.4
279.06662	35.1
281.08188	16.3
282.08997	33.0
283.09656	1.3
293.04883	1.2
293.08322	2.8
294.05341	34.3
294.08966	13.4
295.06180	13.0
297.11252	9.0
307.05963	5.2
309.07791	36.2
309.11435	1.8
310.05032	1.9
310.08435	7.7
311.05630	4.6
321.07733	6.3
322.08569	9.8
323.05627	31.5
323.09158	3.5
325.07187	7.5
326.07941	17.4
327.12399	1.7
337.07034	4.6
338.08041	59.3
340.09592	2.9
341.10333	78.6
353.10333	100.0
371.11420	78.9
389.21896	1.7
533.16760	26.9
533.24139	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	531.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07916	1.5
57.03455	32.9
59.01383	100.0
61.98845	8.3
62.09126	1.6
64.34692	1.3
71.01384	21.6
72.99355	1.7
73.02950	7.0
75.75504	1.7
83.01384	2.8
85.02964	10.8
88.98824	1.7
89.02431	20.3
91.74728	1.8
94.23598	1.8
95.01373	2.2
99.00892	2.0
99.04525	15.9
101.02441	23.2
113.02440	15.0
114.39307	2.3
119.03493	8.8
121.02980	2.0
122.03769	2.2
123.04573	1.8
125.02415	15.8
130.53560	1.5
143.03595	1.9
161.04584	8.9
177.01930	2.7
179.05643	9.3
203.62776	1.7
210.91942	1.9
231.13968	15.3
289.18103	26.1
304.21426	1.8
323.10049	3.0
331.15579	25.8
332.15939	2.3
333.17029	18.7
351.18176	1.7
387.19568	2.0
453.25140	2.1
471.25961	14.4
493.20630	6.4
495.22397	1.9
496.98209	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	532.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88443	0.5
57.03176	0.5
57.03454	22.3
59.01377	5.8
61.98833	100.0
67.32088	0.6
70.35406	0.6
71.01389	1.3
73.02951	0.5
81.96558	0.6
89.02461	0.6
92.10678	0.8
95.13633	0.6
99.04509	13.7
101.02433	5.9
113.02393	0.9
119.05045	0.7
125.02437	7.1
126.90889	0.6
131.62854	0.6
148.05319	44.6
149.06042	0.9
161.04488	0.7
163.07654	41.0
187.56857	0.7
196.65649	0.7
240.49251	0.6
244.31561	0.6
270.05087	0.6
367.13983	0.8
469.17059	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	532.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.4
61.98833	100.0
70.35046	0.8
71.52870	0.9
74.80857	0.9
75.00872	2.1
90.16895	0.8
94.25739	1.0
133.63361	1.1
135.03033	1.9
138.61081	1.0
152.99727	0.9
174.01700	1.6
213.26558	1.0
329.21350	1.1
333.20755	5.1
347.22513	1.8
351.21793	3.7
373.19989	1.3
391.21310	1.1
393.27463	1.0
403.21216	2.0
415.21436	1.0
433.22543	4.3
438.95868	1.0
451.23346	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	531.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77611	1.2
57.03450	36.2
57.03715	2.0
59.01382	100.0
61.98842	6.8
64.81059	1.3
71.01366	25.0
71.01661	1.4
73.02944	2.2
81.03481	1.6
85.02953	8.2
87.00821	2.4
88.19885	1.5
89.02434	23.3
99.04519	16.6
100.60381	1.8
101.02445	19.8
113.02441	16.4
119.03486	9.2
121.02908	2.2
123.04438	2.4
125.02453	13.9
143.03490	2.0
161.04514	8.0
179.05605	10.9
179.07062	2.0
231.13863	13.1
243.31061	1.8
271.16928	3.0
289.18130	22.0
291.19562	2.7
317.83359	1.8
323.09894	1.9
324.10812	1.7
331.15552	29.4
332.15851	1.7
333.17004	21.7
440.15439	1.7
450.48984	2.0
471.25952	15.4
493.20944	6.2
495.22061	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	531.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31978	50.6
53.77661	64.0
59.01414	53.6
61.98829	100.0
73.38886	53.1
75.14018	52.0
81.48965	53.6
99.72271	54.1
118.30875	64.6
137.32953	55.5
149.02469	65.0
164.04695	98.6
164.92525	72.7
268.72147	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03452	100.0
59.01381	83.2
61.98855	0.7
66.64623	0.6
71.01376	18.5
72.99335	0.7
72.99763	0.6
73.02934	8.3
81.03467	3.9
82.24974	0.6
83.01391	3.8
83.05011	0.9
85.02940	7.3
89.02427	10.0
95.01395	1.1
99.04510	76.0
101.02441	26.3
101.99551	0.7
113.02435	9.2
119.03503	3.9
123.08154	10.8
125.02441	37.1
137.09709	1.7
138.06847	1.1
143.03482	4.5
149.04553	1.2
153.09209	8.4
161.04558	8.3
163.00458	0.7
163.11298	9.4
164.15639	0.9
179.05614	4.0
189.12836	9.0
203.05667	1.0
207.13918	13.5
221.06703	0.9
225.14954	10.6
369.19144	4.1
387.20331	9.2
429.21405	8.7
469.25272	1.1
487.25772	1.5
531.24573	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	531.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65821	0.6
55.01879	0.9
57.03455	100.0
58.00622	0.8
59.01384	86.3
71.01378	19.4
73.02957	4.6
81.03460	1.2
83.01392	3.9
85.02945	7.3
89.02444	20.0
93.04886	0.7
96.96006	5.7
99.04517	55.4
101.02440	30.9
112.70756	0.8
113.02448	10.9
119.03497	5.8
125.02449	23.0
143.03514	1.2
151.39856	0.8
161.04582	4.4
181.81618	0.9
189.12852	1.1
207.14014	1.4
307.56763	0.8
313.74704	1.0
318.82956	0.9
323.48642	1.0
369.19357	4.4
387.20334	19.0
429.21567	10.7
531.24567	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01919	1.3
57.03453	100.0
59.01383	81.0
61.98821	2.5
67.99496	1.3
71.01380	17.9
71.84499	1.3
73.02946	7.5
81.03503	1.7
83.01408	1.8
83.05053	1.3
85.02956	6.6
89.02448	12.8
92.10876	2.4
96.95992	2.1
99.04506	61.3
101.02435	29.9
113.02452	11.2
119.03468	6.0
119.05016	2.2
123.08154	5.9
125.02434	25.6
137.09711	2.4
143.03505	2.9
150.03242	1.7
161.04585	5.6
163.11296	6.2
179.05534	2.3
189.12830	16.0
207.13925	13.7
209.11804	11.6
225.14896	1.8
227.12971	1.8
253.09369	2.3
268.42499	1.4
353.96365	1.5
387.20261	7.7
429.21313	8.9
469.24768	2.1
531.24158	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	531.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82510	1.3
56.37298	1.1
57.03454	100.0
58.00594	1.2
59.01384	91.6
63.21438	1.1
71.01375	25.8
71.05021	1.7
73.02940	14.0
78.13551	1.0
81.03467	2.0
83.01398	6.5
85.02943	8.9
87.31804	1.2
89.02446	14.9
95.01364	1.8
96.96008	2.3
99.04514	62.3
101.02424	30.8
113.02444	15.8
113.06079	2.3
119.03502	2.6
123.04520	5.3
125.02431	36.8
138.05815	1.7
138.06856	15.5
141.05563	1.8
143.03474	3.0
153.09204	40.5
161.04546	7.5
207.13924	2.9
225.12759	1.6
225.14972	43.9
350.43954	1.3
369.19232	6.6
387.20340	17.8
429.21698	10.5
487.25366	2.2
530.26727	1.4
531.24561	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41235	1.0
54.10542	0.9
61.98832	100.0
75.00864	5.4
75.46435	0.9
88.95406	1.0
112.98796	1.7
119.52524	1.1
126.51378	1.0
135.02985	6.3
173.38002	1.1
174.01697	2.5
239.30498	1.2
277.21625	1.7
293.21274	1.7
305.21231	2.7
329.77069	1.1
331.19174	6.8
345.20795	5.7
371.18872	9.1
389.19400	1.1
413.19699	4.6
431.20731	5.8
449.21796	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	530.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31838	1.1
55.78688	1.2
59.01387	1.3
61.98833	100.0
67.79341	1.5
72.13676	1.3
72.85535	1.3
78.95953	1.5
82.50905	1.4
112.98717	1.3
152.99544	2.6
154.19615	1.4
314.00992	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	530.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34434	0.6
56.09027	0.6
58.73554	0.5
61.98831	1.5
62.35803	0.6
64.04762	0.7
78.95900	20.2
84.49815	0.6
89.29266	0.7
152.99600	3.1
159.39853	0.7
160.66464	0.7
168.04268	4.4
184.30374	0.7
224.06989	7.0
242.08125	1.1
255.23328	100.0
333.00446	0.8
349.38034	0.8
384.84790	0.7
409.71805	0.8
480.30991	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08978	0.6
55.01876	0.7
57.03453	25.6
57.03714	1.3
59.01383	100.0
59.58227	0.8
61.98831	1.2
69.03458	1.7
71.01380	26.6
72.99292	1.5
73.02940	9.7
73.03222	0.7
81.03483	0.9
83.01396	4.5
85.02951	9.5
87.00890	1.1
89.02439	21.6
95.01395	1.7
96.96012	1.1
97.02972	3.5
99.04510	19.3
101.02441	21.1
103.04000	8.2
113.02458	7.7
114.38536	1.1
119.03490	7.9
125.02441	25.2
125.03315	1.5
137.02411	1.0
143.03502	1.3
148.05310	19.3
161.04529	3.0
163.06171	6.7
163.07664	4.9
179.05637	4.9
187.87187	0.9
189.50027	0.9
201.63101	0.8
247.08228	3.4
248.33598	0.9
259.06226	3.4
287.05640	5.6
307.10370	9.0
309.20605	1.4
387.20016	3.8
399.10455	0.9
429.21506	1.3
512.98456	0.9
531.24310	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	530.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66411	0.3
59.01375	0.4
61.98831	100.0
66.92203	0.3
72.66032	0.4
112.98805	0.4
135.03008	0.4
142.99867	1.7
156.00613	0.5
173.00908	0.8
174.01724	5.0
175.02438	0.5
209.37131	0.4
278.56308	0.5
293.21259	0.7
305.21198	0.9
349.20166	0.5
358.47031	0.4
397.84698	0.5
463.99677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47257	0.7
55.01893	1.3
57.03456	24.9
59.01385	50.7
59.06825	0.7
61.98840	0.9
62.14426	0.9
69.03488	0.8
70.57224	0.8
71.01382	25.8
73.02958	7.1
80.17888	0.8
80.96568	1.2
83.01389	1.0
83.05051	0.9
85.02963	9.3
87.00878	1.3
88.77723	0.8
89.02444	25.7
95.01421	1.6
95.05058	3.7
95.05919	0.9
97.02955	1.2
99.04536	8.2
101.02451	14.8
109.06596	1.4
113.02453	9.6
119.03496	9.8
121.06592	11.0
123.04518	1.2
123.08187	5.2
125.02452	5.7
130.58617	1.0
131.03479	0.9
133.06491	1.0
135.04578	1.2
135.08163	1.1
143.03523	3.9
148.05289	1.3
149.06143	1.5
149.09744	3.8
151.07632	1.6
152.08472	4.3
161.04559	9.8
164.08415	1.3
167.07150	3.6
171.08203	2.1
173.06071	2.2
173.09747	4.4
173.75620	1.0
175.07600	1.6
176.08382	1.1
177.09169	1.5
179.05617	41.8
187.07658	1.4
187.11279	7.0
188.08459	3.6
189.09293	1.4
189.12744	1.6
201.09244	3.6
201.12851	6.0
203.10806	11.6
204.11575	1.3
205.12321	1.9
211.11372	1.7
214.79202	1.0
215.10809	9.3
217.15988	0.9
227.14429	18.5
229.12312	1.2
230.13086	1.6
233.11813	1.4
233.24922	0.9
245.15524	19.7
247.16818	1.0
253.16013	1.4
254.76033	1.1
256.07291	0.9
256.14676	3.6
259.13507	1.1
259.16907	1.1
261.18622	4.6
262.15857	1.2
271.16995	11.5
273.14963	5.6
274.15826	5.2
277.18179	2.2
287.16882	1.1
289.18127	100.0
306.14822	1.4
307.19229	14.2
320.47165	0.9
330.13199	14.7
374.13412	1.0
385.19034	0.9
410.68555	0.8
469.13333	1.3
469.24377	5.1
529.22961	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	529.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82713	1.0
55.01886	1.1
55.29586	0.7
55.98367	1.0
56.54308	0.9
56.71028	0.7
57.03460	85.7
58.00613	0.9
58.59113	0.9
59.01389	100.0
61.98841	6.0
71.01388	41.7
72.99326	1.5
73.02957	31.2
81.03474	2.0
81.88241	1.0
83.01394	8.4
85.02954	9.6
87.00867	2.0
89.02448	34.0
92.10735	2.0
95.01403	4.0
95.05024	1.1
97.06558	1.6
99.00880	1.4
99.04522	53.3
101.02445	42.2
108.97754	0.8
109.06581	1.0
109.75867	0.9
113.02454	22.0
113.06099	1.7
119.03489	12.2
123.04542	9.6
125.02445	29.1
131.03526	1.9
141.05516	1.6
143.03488	5.0
147.08203	1.3
149.04591	3.9
153.09200	10.3
161.04552	22.0
163.11270	1.6
164.35135	1.1
166.05032	4.1
178.23923	0.9
179.05682	10.4
187.11325	3.8
205.12355	19.4
221.06700	1.2
223.13487	2.1
233.06662	1.0
249.99667	1.1
263.07660	5.8
323.09848	11.8
331.68259	1.0
346.13110	0.9
346.19144	1.0
367.17572	8.4
371.46631	1.0
385.18723	25.0
427.19876	9.7
485.24255	1.5
493.18311	1.5
529.22833	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
56.07756	0.9
57.03452	100.0
58.00601	1.9
59.00251	0.9
59.01383	79.0
61.98838	1.8
64.31961	0.8
71.01376	30.2
71.01725	1.7
73.02943	20.9
75.16729	0.9
81.03457	1.5
83.01383	7.8
85.02932	9.3
87.00883	4.7
89.02442	22.4
94.97983	1.0
95.01417	1.9
95.05005	1.4
99.04514	55.4
101.02441	42.4
110.37211	1.0
113.02436	13.2
113.06084	1.0
119.03454	8.8
123.04490	6.3
125.02435	36.1
137.02414	1.3
138.21596	1.1
143.03513	4.8
161.04597	8.2
161.09711	3.9
175.07603	1.6
175.11267	1.2
176.08409	2.3
179.05582	11.9
187.11295	16.8
190.09993	4.0
203.10820	4.7
204.11635	4.0
205.12367	20.7
215.10764	4.2
215.90068	1.1
227.14369	1.8
229.12422	1.2
233.11809	9.2
245.15474	2.1
259.13382	4.4
265.07565	2.3
277.14438	5.9
289.18079	17.3
307.08801	1.3
331.15643	12.4
340.08176	1.6
367.17621	4.2
385.18771	5.9
409.11758	2.0
427.19635	5.6
467.23010	1.7
469.14035	2.2
485.23676	1.1
493.20676	4.7
529.23053	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	529.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.7
56.90712	1.3
57.03453	100.0
58.00607	1.3
59.01383	97.2
63.59678	1.2
64.97573	1.1
69.03460	1.8
71.01372	34.5
71.01718	1.7
72.99298	1.5
73.02941	46.0
74.11409	1.3
75.00876	1.5
79.05560	2.7
81.03468	6.7
83.01392	10.9
83.05018	26.4
83.09963	1.5
85.02963	8.7
89.02444	21.8
97.06609	2.6
99.04513	71.0
101.02434	58.2
101.03092	2.0
113.02457	20.7
113.06110	7.9
119.03485	9.8
121.06610	3.1
123.04514	28.6
125.02460	36.9
131.03540	1.9
138.12082	1.3
141.05583	6.1
143.03519	8.2
149.04558	6.9
153.05646	4.7
156.00664	2.1
161.04550	27.6
174.01685	9.0
179.05595	9.1
196.04010	1.4
203.05519	2.1
221.06715	8.4
231.60870	1.3
248.23645	1.3
263.07779	3.1
268.78488	1.5
323.09827	11.9
376.19464	1.5
448.43454	1.6
485.23840	2.2
529.23022	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34687	0.2
59.01370	0.3
62.16420	0.2
77.56215	0.3
78.95912	4.2
79.95756	1.1
93.03442	0.6
96.96016	100.0
96.96908	5.5
101.02435	0.3
111.37062	0.3
137.02426	1.6
143.69621	0.3
180.89922	0.3
269.46576	0.3
287.62634	0.3
351.41193	0.3
357.09546	0.3
369.22867	0.3
398.56152	0.3
431.12329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	92.2
59.01392	100.0
71.01386	27.8
71.01713	1.2
72.99328	1.4
73.02957	5.3
80.96525	2.5
81.03490	3.1
83.01405	2.4
83.64839	1.3
85.02956	14.4
89.02463	11.3
92.10863	1.4
95.01392	2.3
96.87716	1.3
96.96014	27.7
96.96967	1.4
98.95600	29.1
98.96401	2.2
99.00854	2.7
99.04517	88.1
101.02438	22.4
113.02454	17.8
119.03519	2.8
125.02448	57.1
125.03309	2.6
138.06871	7.6
139.07567	1.4
143.03520	5.5
151.07620	5.7
152.08423	14.3
153.09218	32.7
161.04581	7.4
165.46170	1.1
180.66374	1.3
183.10240	2.2
184.46240	1.2
205.12328	18.8
215.60248	1.4
223.13498	6.0
309.40036	1.5
332.36572	1.5
367.17621	29.5
367.25165	1.6
385.18738	22.1
427.19641	12.9
485.17276	1.8
485.24115	5.0
529.22290	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	529.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02179	0.7
57.03461	86.3
59.01392	35.3
61.98856	4.0
67.94573	1.1
68.68092	1.1
69.03484	1.6
71.01398	6.8
73.02965	6.4
75.66981	0.9
81.03468	2.4
83.01395	1.5
85.02988	4.9
86.02316	1.0
89.02450	4.3
89.60804	1.0
95.05054	2.4
97.02928	1.4
97.06596	1.6
99.04514	55.7
101.02439	18.6
109.06601	6.3
113.02467	1.8
114.85964	1.0
121.06602	4.1
123.04501	11.7
123.08199	2.4
125.02438	40.9
128.73039	1.1
131.02467	0.9
135.08127	1.4
137.09712	1.6
143.02393	1.0
143.03510	3.9
145.10269	1.9
147.08127	10.2
149.09712	4.1
151.11279	5.8
153.09200	1.2
157.47832	1.2
161.04581	2.5
161.09709	9.7
163.03880	1.3
163.07605	1.2
163.11284	19.0
171.08170	1.7
177.12849	3.9
179.10785	99.3
180.11139	1.2
181.12361	12.4
187.11285	12.9
189.09250	4.6
190.09932	1.3
195.13905	1.3
195.44328	1.0
203.10791	5.6
205.12360	100.0
221.12175	1.0
223.13394	27.2
247.85938	1.0
307.58920	1.1
323.14743	1.1
329.67828	1.3
341.16077	5.4
345.13315	1.2
367.17627	2.1
375.14890	1.5
383.17206	2.1
427.19775	1.5
485.24149	3.9
529.22876	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	529.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03455	100.0
59.01385	63.7
59.36643	0.5
69.03445	0.9
71.01382	24.5
71.05020	1.2
73.02943	16.9
81.03478	4.4
82.49226	0.8
83.01371	6.1
85.02951	9.3
89.02455	13.5
92.10787	2.3
92.85245	0.7
95.01386	3.5
97.02951	1.3
99.00859	0.7
99.04517	63.0
101.02441	32.9
108.05797	1.3
109.06583	5.8
111.04535	0.7
113.02444	11.6
113.06120	0.8
119.03490	3.1
123.04508	1.6
123.08169	2.8
125.02440	37.1
125.06050	1.2
125.90203	0.7
133.06490	1.1
135.08249	0.8
136.05304	3.5
137.09709	4.1
138.06870	16.3
139.07645	4.6
143.03513	3.7
151.07654	16.0
152.08429	18.6
153.09222	67.1
161.04546	8.6
161.09724	1.1
163.11261	3.5
163.12512	0.8
165.09204	4.0
167.07217	1.0
175.07642	0.8
179.10764	14.9
180.16100	0.7
183.10251	0.8
187.11279	1.1
190.10020	4.6
202.39366	0.7
203.05687	1.1
204.46880	0.7
205.12366	39.9
205.14265	1.7
223.13412	21.2
318.16519	0.9
367.17667	14.2
378.34875	0.7
385.18723	23.9
427.19781	10.6
467.22775	3.1
485.24054	3.6
529.23071	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98834	3.6
66.18034	1.8
68.21285	1.9
82.82269	1.8
86.37180	2.1
104.11603	1.7
122.31778	1.9
123.64529	2.0
126.17608	1.7
149.36308	1.9
152.59457	1.7
158.17734	1.8
178.98384	1.8
183.10252	32.1
185.52759	1.7
198.62189	1.8
209.11852	27.4
231.09966	2.7
259.00519	2.0
291.19717	22.4
306.08377	1.9
387.29828	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43053	1.3
55.90002	1.2
59.01384	2.2
61.24715	1.2
61.98832	45.6
84.52395	1.4
93.03450	1.5
105.18624	1.4
117.03448	14.9
119.05016	10.1
121.02948	7.6
145.02963	100.0
149.02473	5.5
150.02974	1.7
153.01857	1.9
163.04002	5.7
176.01224	9.8
177.01494	2.1
177.38498	1.4
191.03526	16.1
192.03893	8.8
194.02336	1.5
271.22824	9.9
331.26599	5.7
332.92859	1.4
399.25400	18.5
417.26794	10.8
449.24991	2.1
464.27475	29.7
491.30194	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20447	41.2
58.36364	44.8
61.46870	43.4
61.98835	100.0
62.81885	45.4
63.69804	40.7
68.49938	52.0
70.68970	51.5
83.59313	46.7
255.23141	79.1
378.59241	66.6
487.33322	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79670	0.5
58.03075	0.6
58.34827	0.6
59.01385	1.1
61.98833	4.4
84.76387	0.7
85.26199	0.6
99.06372	0.6
114.38235	0.7
117.03463	15.2
119.05049	9.3
121.02970	3.0
123.04535	0.8
144.51913	0.8
145.02963	100.0
146.03250	0.8
149.32268	0.7
150.93985	0.7
152.99544	1.2
160.46909	0.6
162.03203	0.7
163.03987	4.0
189.07590	0.7
271.22769	8.7
320.05847	0.7
331.26471	5.4
355.26538	0.8
399.25491	19.2
417.26505	9.1
491.30234	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37644	2.0
52.87363	2.0
65.00331	4.0
71.01365	3.5
71.05009	9.3
82.01673	2.1
83.01389	2.4
83.05044	5.1
83.95162	2.3
87.87297	2.1
93.03444	3.0
97.02920	3.0
97.06596	2.9
99.00889	18.5
107.01395	4.8
109.06596	3.2
119.05024	19.8
123.08164	3.5
125.09689	14.0
151.00423	18.3
163.11313	26.9
165.12785	2.8
171.10260	25.6
181.12369	48.5
199.13469	20.4
205.04594	2.4
207.10280	45.3
209.11853	100.0
225.09167	3.8
225.11365	71.0
227.12880	10.7
243.12360	38.0
257.96695	2.7
265.86649	3.4
271.06238	29.3
272.06461	2.9
299.15057	11.4
317.16119	24.7
509.27545	4.8
527.28693	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
60.69604	0.3
61.95988	0.2
61.98833	100.0
71.01378	0.6
84.90470	0.3
120.73264	0.3
151.03995	0.4
158.05612	0.3
174.25175	0.3
175.04039	0.3
185.11841	0.6
209.11864	0.6
210.12154	0.6
211.13358	1.4
212.13852	1.1
303.12540	0.4
324.64709	0.3
381.65930	0.3
512.09509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27923	0.3
65.44604	0.3
72.90022	0.3
78.95910	67.3
87.00893	0.8
96.96964	100.0
142.83102	0.3
166.97499	3.3
169.28954	0.3
184.98575	64.6
206.12692	0.4
292.07568	0.4
297.21286	0.5
488.38663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.7
61.98840	0.6
63.69685	0.7
65.28870	0.6
69.03429	0.7
71.01383	8.8
73.02949	2.6
78.98585	5.5
79.95733	10.7
80.96513	78.0
81.03452	0.7
85.02957	3.3
87.00874	3.2
89.02460	0.7
94.98083	18.0
96.00872	0.9
96.95999	8.4
97.02983	1.1
101.02431	4.6
106.98086	4.4
108.42979	0.6
116.92880	1.3
121.58487	0.6
122.97586	6.7
125.02435	3.8
127.03989	1.0
134.97575	5.7
136.99103	2.9
139.06421	0.7
141.01721	1.6
148.99138	9.3
152.98619	9.5
164.98631	13.2
165.05476	1.4
167.00261	0.7
182.99654	3.4
195.53305	0.7
206.99693	3.4
209.11868	4.6
225.00766	23.8
243.01793	1.6
245.47771	1.0
299.04391	4.3
322.29590	0.7
339.58795	0.8
362.16992	1.7
363.17194	3.5
364.17419	3.0
365.17606	2.9
371.38324	0.8
414.51697	0.9
467.32410	1.7
527.18109	100.0
528.18018	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	527.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30253	0.7
56.49412	0.8
59.01384	100.0
71.01381	2.1
83.04942	1.0
85.02977	1.0
85.87230	0.8
89.02446	1.2
92.10842	1.7
96.96030	1.6
96.99293	3.7
101.02415	1.5
113.06831	0.9
120.73266	0.9
133.29102	0.9
141.01704	50.1
142.35196	1.0
176.71394	0.9
201.11314	1.0
205.12415	1.1
209.11977	1.1
274.72174	0.9
290.16660	1.2
303.45026	0.8
385.23380	1.0
403.21945	0.9
407.15591	5.2
467.18225	3.7
467.32571	1.4
524.50104	0.9
533.24109	1.0
553.71271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61620	0.9
59.01387	2.1
61.98837	12.3
64.34495	1.0
64.86418	1.0
71.01367	1.7
73.72617	1.0
80.22295	1.0
80.96519	1.9
81.12016	1.0
86.06283	1.0
150.09241	4.7
158.06047	1.4
159.02025	2.0
166.06398	1.8
171.05659	4.4
173.07265	1.9
187.01479	11.8
188.07146	1.4
197.11868	2.2
199.05121	8.6
200.02275	5.3
201.06720	2.5
213.06630	2.1
214.05063	1.3
215.04518	2.2
226.08618	1.2
227.04646	8.2
227.08347	2.5
228.01697	2.3
229.06276	2.2
230.12842	1.3
239.08211	1.6
241.06342	7.7
243.04175	6.3
244.06143	1.5
254.04637	1.4
255.04872	2.0
255.07756	23.0
257.05725	11.0
258.06503	8.2
265.06168	2.0
268.05035	4.8
269.05594	7.9
283.07278	100.0
284.07742	4.6
297.08792	2.6
298.09717	5.1
311.06711	6.5
325.08264	8.4
326.09180	21.3
327.09695	1.3
412.41162	1.1
450.16769	79.6
507.94910	1.2
526.18378	51.5
527.18134	4.7
528.99475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10438	0.2
59.01393	0.4
61.98838	100.0
89.68538	0.2
92.35164	0.2
103.64917	0.2
134.89767	0.2
209.11763	1.3
210.12239	1.5
211.12363	0.4
302.98975	0.2
372.31113	0.2
381.31882	0.2
414.05212	0.2
468.07925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2707
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
75.18038	6.9
91.38014	7.9
92.10757	12.2
116.05125	8.5
156.85890	8.9
168.12900	8.4
197.11885	100.0
209.11853	82.8
225.11362	10.7
235.68575	8.6
249.01714	8.5
265.93558	8.7
299.25180	11.0
321.92944	10.4
525.27167	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82232	63.7
64.34180	84.1
78.95914	100.0
80.40209	72.8
107.61726	67.8
108.17233	85.5
112.32825	66.8
152.99556	94.8
154.95554	74.5
196.71927	79.2
226.37416	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36684	0.9
51.43326	1.0
55.82734	1.1
57.54798	1.0
60.87539	1.0
66.10476	1.2
69.53921	1.0
81.75337	1.3
90.73754	1.2
106.26522	1.5
110.95256	1.3
115.39543	1.5
124.29836	1.4
158.58595	1.2
168.51283	1.3
225.22211	2.7
253.21786	1.9
271.22827	100.0
322.94623	1.4
525.45245	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	525.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14559	2.9
58.61789	3.3
59.01385	16.2
61.98819	6.2
65.99226	3.5
67.80332	3.1
71.01361	4.1
85.02977	3.8
85.72662	3.0
90.39351	3.4
96.96017	6.8
121.02922	5.0
134.03674	25.9
135.04533	20.1
136.05229	3.7
140.98767	3.6
146.03752	92.7
147.04428	6.2
148.05295	15.9
149.02455	8.3
149.06113	26.9
160.05345	6.6
161.06104	85.1
162.03218	4.1
163.04044	8.2
163.07639	16.9
164.04797	47.4
173.06085	16.7
177.05580	5.6
179.07135	54.9
180.07889	5.3
181.08734	33.6
183.14009	5.0
187.46159	3.5
190.06351	13.2
191.07201	26.2
192.07922	31.5
193.08702	20.7
195.06464	4.4
209.08163	17.0
211.13405	68.0
253.09038	5.4
285.11313	15.0
297.11334	8.5
300.09836	4.9
315.12442	100.0
317.14008	4.5
327.12445	21.7
329.13812	9.0
345.13428	37.4
495.20889	4.8
496.11853	4.1
507.20248	9.0
525.20367	6.4
528.08185	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	525.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52887	0.8
56.76054	0.9
59.01391	4.4
71.51705	0.9
83.01408	1.2
88.13837	1.0
92.10136	2.5
96.95994	2.0
100.17384	1.0
106.04240	5.0
107.05029	34.2
121.02950	8.3
123.04503	2.0
134.03729	12.0
135.04523	100.0
136.01659	2.1
147.04659	1.0
161.06062	2.3
165.01906	1.6
165.05562	28.7
166.06378	1.2
173.79298	1.0
180.07903	4.8
181.08707	2.2
192.07880	2.2
193.08636	5.9
211.13326	5.0
227.11238	1.2
240.04231	1.2
255.06511	2.1
267.06659	5.2
268.07382	1.3
269.08215	8.9
269.10950	1.1
270.08862	1.4
283.09680	2.5
295.09641	1.1
297.11395	4.0
299.09341	2.3
302.07904	1.8
311.09323	5.5
313.10745	1.5
314.11612	5.1
325.10849	2.2
326.11530	4.5
329.14014	5.9
341.13937	6.5
363.08286	1.1
465.19220	4.6
474.02103	1.1
477.19177	10.3
495.20248	32.3
507.20270	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	523.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37337	59.7
57.02458	46.8
67.30323	52.9
78.95906	100.0
80.30481	49.7
108.70010	64.6
112.44860	66.5
152.99597	95.4
159.46080	70.1
165.95587	68.7
484.72366	62.8
536.95093	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
78.30099	50.5
87.42854	54.0
100.20888	53.9
105.34293	51.9
107.62136	62.4
111.76335	60.6
251.20215	100.0
501.00455	72.5
541.46686	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41211	0.6
56.48082	0.6
59.01384	100.0
71.01392	1.5
78.06676	0.8
85.02978	1.2
89.02434	1.6
96.96015	5.1
97.57494	0.8
121.02985	0.9
134.03781	1.2
135.39481	0.9
136.01662	9.7
146.03731	1.3
146.89951	0.8
149.06129	0.9
150.03239	0.9
151.04021	10.1
153.05582	1.4
165.05545	1.0
167.07126	5.5
179.07202	2.9
221.06604	0.8
225.05591	6.2
240.07941	70.9
241.08295	1.2
255.10310	70.7
303.12384	23.1
363.14471	1.0
525.23059	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98832	1.2
67.01604	0.9
70.41935	1.0
78.95889	1.6
84.85709	1.0
86.01518	1.2
93.03466	1.4
94.60322	1.0
107.05025	1.4
109.02963	1.5
118.01117	1.1
121.02933	14.1
123.04519	7.2
134.03741	4.2
135.04524	38.1
145.02943	5.4
147.04510	4.1
148.05392	1.4
149.06093	12.4
152.99542	4.1
161.06084	14.0
163.04041	1.6
164.04814	1.0
175.07683	1.7
177.05638	1.5
179.07172	10.5
180.07930	31.1
181.08684	1.8
184.81548	1.0
190.06297	1.1
192.07959	13.4
193.08757	11.6
194.05814	4.8
209.08215	1.6
223.07681	1.1
226.08464	2.2
239.07248	1.4
251.07144	4.9
254.05782	2.1
266.06024	1.4
267.06686	4.7
268.07413	12.4
269.08237	16.6
280.07205	1.6
283.09848	13.6
284.10519	10.8
297.11212	1.4
298.12082	4.7
342.24878	1.1
342.51294	1.2
455.60254	1.1
475.17157	1.8
478.19809	1.4
490.20224	3.8
493.22369	20.3
505.22491	12.9
523.23431	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	523.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70100	1.5
74.72941	1.5
74.97134	1.5
79.15000	1.7
109.02949	3.7
121.02944	19.2
122.03749	2.7
123.04520	2.3
134.03752	2.6
135.04509	7.4
145.03004	2.9
147.04532	9.7
149.06067	4.5
159.28192	2.2
165.05493	10.3
173.06027	2.0
224.66875	1.7
233.44125	2.0
254.05789	2.3
267.06686	3.7
268.07452	10.1
269.08124	7.5
283.09689	7.8
294.08960	4.5
295.09711	3.2
297.11298	10.1
309.11401	13.2
327.12277	8.4
341.13977	8.1
341.20630	1.8
386.42563	2.0
473.31052	1.8
477.18887	7.5
493.18832	7.3
523.23358	100.0
524.23700	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	523.2191
Annotation	Mascaroside
Peak:m/z	Relative Intensity
50.72511	0.5
55.01897	0.9
57.03451	0.7
59.01386	18.3
71.01387	10.3
72.99314	1.3
73.02950	1.5
77.29350	0.6
80.02682	0.8
83.01412	1.1
83.05055	4.3
84.02193	2.7
84.14221	0.6
85.02977	4.4
87.00926	0.8
89.02451	7.5
91.71770	0.6
92.10078	1.2
95.01389	0.9
101.02447	8.8
102.10047	0.7
113.02445	3.4
119.03508	1.1
121.02966	3.8
122.03742	3.8
126.36816	0.7
135.04457	1.4
135.08167	0.7
147.04520	1.0
149.06129	1.0
150.45180	0.8
155.01294	0.6
161.04651	1.3
161.06062	2.5
162.06839	0.8
163.11302	3.2
165.05582	5.5
165.12880	1.2
172.55728	0.7
179.07103	2.6
180.07907	4.3
187.83919	0.6
191.07309	0.7
191.10721	0.8
193.08839	0.7
209.11858	100.0
227.12914	10.3
227.76424	0.8
253.09326	11.6
313.14310	1.0
328.13199	1.0
331.15527	2.8
343.15430	1.4
346.14218	0.9
361.16669	12.5
406.34116	0.7
493.20752	1.2
494.71085	0.7
505.20557	2.9
523.21936	40.1
524.23334	0.8
531.42609	0.7
532.40546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.219
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.41088	0.7
58.13853	0.7
59.01384	1.7
71.01408	1.7
85.02966	1.0
88.98798	1.0
89.02419	0.9
93.03464	1.2
108.02174	0.7
108.52895	0.8
109.02976	6.2
116.92859	3.3
121.02951	21.9
122.03735	17.0
123.04528	1.5
124.01649	1.0
135.04547	3.0
137.02448	3.3
147.02980	0.8
147.03392	0.8
147.04527	9.4
148.05313	1.3
151.59787	0.7
151.86191	0.7
154.02716	1.6
161.06076	3.1
162.51495	0.7
163.04018	1.2
165.05568	35.0
165.68907	0.8
179.07169	12.8
207.06662	1.6
223.31760	0.7
313.14462	1.2
315.12390	2.8
346.14276	13.1
361.16626	100.0
362.16864	1.1
523.18243	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05847	0.6
54.74869	0.6
59.01393	0.9
60.35308	0.6
61.82640	0.7
65.37085	0.6
65.94841	0.6
66.76920	0.8
71.01385	0.6
75.89684	0.7
109.00803	0.7
109.02976	1.2
121.02983	4.0
122.03699	7.3
129.56088	0.7
135.04529	22.6
135.05507	1.3
137.02432	1.8
142.02028	0.8
145.02988	1.3
145.80127	0.7
147.04538	1.8
147.93819	0.7
149.06084	5.6
150.03204	1.0
160.05264	0.9
161.06088	7.6
163.04012	4.4
164.04845	1.2
165.05629	3.3
167.07092	3.4
172.71558	0.7
175.07693	0.8
179.07111	9.2
180.07928	56.1
181.08664	0.8
182.05888	3.7
190.06425	1.3
191.07126	1.7
192.07927	11.7
193.08672	6.7
194.05862	9.7
195.06673	5.4
195.10304	1.0
207.10255	1.2
209.08215	1.8
212.06914	6.7
223.09944	0.9
226.08530	3.0
236.32544	0.8
285.11450	1.0
294.74966	0.8
297.11368	5.3
313.10837	9.0
316.13254	6.1
328.13181	12.5
329.13800	1.0
330.14252	1.6
331.15546	22.7
334.42471	1.1
343.15515	11.1
346.14386	1.1
361.16602	100.0
362.16873	1.5
523.21405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48346	6.8
59.01391	14.9
59.53159	6.5
71.01408	14.1
85.02965	6.9
92.10835	13.4
96.96041	14.4
101.02457	7.6
116.92850	69.7
119.05038	66.5
132.05780	7.0
133.06567	13.6
145.02939	30.3
161.06082	61.2
163.03987	100.0
187.03993	33.5
205.05106	83.7
214.39491	8.0
218.36035	8.2
222.37546	8.6
265.07367	8.6
325.09250	60.2
367.10291	13.2
437.51981	8.1
466.98724	7.6
487.68930	8.4
523.12439	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	523.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25660	1.7
57.03452	3.0
58.82698	1.9
59.01123	3.0
59.01383	24.6
64.90429	1.9
71.01380	100.0
71.90392	2.2
72.99305	41.2
77.49488	2.1
80.87243	1.9
82.02631	2.3
85.02960	2.4
87.00871	55.8
89.02435	4.7
96.96001	10.3
111.00883	5.2
115.00377	26.5
124.74328	2.1
129.01941	4.9
133.01387	2.9
134.03793	3.2
147.03012	68.4
147.04112	2.6
179.05627	2.0
188.53912	2.0
205.03552	2.7
319.23087	2.6
377.50720	2.1
393.10349	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	523.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05951	0.1
50.36165	0.1
59.01386	0.5
63.22351	0.1
71.01372	1.0
73.02937	0.2
83.01383	0.1
83.94544	0.1
85.02953	0.7
88.98797	0.1
93.03455	2.1
101.02464	0.2
108.02180	0.7
109.02951	6.6
111.04524	0.2
113.02451	0.2
119.05024	0.6
121.02950	24.4
122.03736	20.7
123.00858	0.1
123.04515	2.8
124.01642	1.6
129.03467	1.0
134.03722	1.0
134.89650	0.1
135.04521	3.1
136.01633	0.2
136.05304	1.9
137.02454	2.5
145.06619	0.1
146.03705	1.1
147.04527	10.0
148.05374	0.8
149.06100	1.9
150.03177	0.4
151.03961	0.2
153.01955	0.2
154.02736	2.5
159.04512	0.4
160.05254	0.5
161.04721	0.4
161.06068	3.4
162.06868	0.8
163.04036	0.7
164.04732	0.9
165.05569	34.5
166.05988	0.1
168.04320	0.5
173.06027	0.7
175.07602	0.8
176.08472	0.2
177.05594	0.2
178.06358	1.2
179.07143	12.5
190.06360	0.1
191.07094	0.9
193.08760	0.3
193.56487	0.1
208.07507	0.2
209.08209	1.3
221.08322	0.1
223.09770	1.6
227.12958	0.1
240.07904	0.1
283.09668	0.2
285.11240	0.5
297.07184	0.1
297.11261	0.1
298.12115	1.1
301.10797	0.5
313.14481	1.4
315.12427	3.3
316.13242	0.8
317.13898	0.2
331.12140	0.2
331.15671	0.5
343.15417	0.5
345.13474	0.2
346.14252	12.7
361.16617	100.0
362.17010	1.3
523.22528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.7
59.13100	1.1
60.36525	1.2
68.16646	1.1
71.01381	1.2
92.10227	2.0
96.96010	2.0
98.95631	1.5
106.07137	1.3
116.92852	2.9
119.05016	95.9
134.41721	1.3
145.02945	10.1
150.24271	1.3
163.04013	100.0
173.04314	1.4
240.10753	1.4
261.07849	1.7
268.07428	1.9
325.09335	33.9
523.12384	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	523.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93459	0.8
53.28213	0.8
59.01390	4.0
60.55779	0.8
62.06624	0.9
63.31896	0.8
69.75967	0.8
89.02456	1.3
89.46981	0.9
96.96009	3.8
99.61817	0.9
101.02449	1.0
109.26604	0.9
113.55762	0.8
116.92873	7.0
119.05013	1.7
134.03737	50.1
135.04526	1.4
137.02449	7.5
139.03995	4.1
149.06107	17.8
150.03168	1.4
178.02722	38.6
179.03516	1.5
193.05069	100.0
231.08797	1.0
257.84683	1.1
270.91309	1.1
331.11880	1.3
353.82309	1.0
381.54269	1.1
487.14658	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19211	1.1
53.61989	1.3
55.04722	1.1
59.01381	2.7
63.88781	1.2
106.21442	1.4
158.32303	1.6
174.63194	1.4
241.21730	27.5
279.23303	100.0
280.08478	1.5
517.54169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90877	0.3
61.98832	100.0
89.65331	0.3
97.68792	0.4
104.85350	0.4
108.24372	0.3
112.89062	0.4
292.50317	0.4
363.67499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46303	0.6
61.98848	3.4
64.60076	0.6
65.00329	0.9
73.91861	0.8
82.99396	0.6
83.01425	0.7
88.24572	0.8
88.98795	0.9
94.22423	0.6
107.01376	1.7
119.05042	1.6
125.02451	4.6
127.05564	1.4
133.03021	1.0
143.05035	12.3
145.02968	3.7
151.00385	3.7
155.05054	0.9
157.06564	3.4
161.02452	3.1
179.05060	0.9
181.06598	34.8
181.08160	1.5
183.04459	5.4
187.03973	3.6
199.41252	0.7
207.04530	2.8
223.03975	3.3
225.05592	100.0
249.05563	2.9
251.03529	19.3
257.36044	0.8
333.07751	3.1
371.09259	44.1
377.06824	1.2
397.07172	15.5
523.10370	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	523.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42709	0.3
55.01886	0.5
59.01380	5.2
59.46760	0.4
60.25244	0.3
60.99312	18.0
64.16061	0.4
66.31928	0.4
71.01379	3.2
73.02943	0.8
76.25494	0.4
78.61192	0.4
83.01411	0.5
85.02969	0.9
85.31580	0.4
87.00855	0.7
88.98812	100.0
89.02448	2.8
101.02451	2.7
111.00898	0.4
119.05032	1.5
121.02970	0.5
137.02428	0.6
137.06081	0.8
149.06079	2.6
151.00342	0.9
151.04030	0.9
153.01935	0.7
164.04768	0.7
165.05563	2.8
166.06398	3.6
179.03535	0.9
180.04340	0.7
181.08720	10.6
185.41701	0.4
196.03802	0.4
209.11856	4.1
225.11362	0.4
227.12909	0.4
271.06165	4.1
301.10913	3.5
302.11533	0.8
317.14001	4.1
343.14041	5.0
361.16629	21.3
523.22028	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.3
61.98828	0.7
74.89632	0.6
77.03988	1.0
78.95902	2.6
80.13119	0.6
84.95137	0.7
89.02424	0.8
91.04020	2.7
92.10104	1.3
95.05028	4.1
95.59087	0.7
96.96956	0.6
100.51029	0.6
102.98857	0.7
105.03465	19.9
117.03453	1.4
119.46920	0.6
121.02927	0.7
123.04487	1.4
127.82324	0.7
132.02191	5.8
133.02951	87.0
134.03745	16.5
135.04524	7.1
137.02434	8.1
139.03975	2.6
147.04512	1.2
148.05298	4.2
149.02466	0.9
149.06032	1.2
152.99574	4.8
158.07368	1.3
160.01656	41.3
161.02457	31.3
161.06065	6.1
162.03156	1.0
175.04004	84.5
177.01924	3.8
178.02687	4.2
179.03534	5.9
193.05014	5.7
194.02310	0.7
233.08212	2.7
247.09734	2.8
260.17645	1.0
261.11301	1.4
271.22787	13.6
275.12912	1.5
289.14526	3.2
303.16003	2.9
317.17590	4.5
327.19803	0.8
331.19031	3.0
345.20694	7.3
347.25940	1.4
359.22321	1.0
361.27539	2.8
373.23862	1.3
387.25354	0.8
401.11749	0.8
415.24997	14.1
429.26517	26.7
433.25867	4.2
447.27567	41.3
506.28845	3.8
521.31256	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	521.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37894	1.1
55.93001	1.2
59.01390	14.0
67.25443	1.1
69.31726	1.4
162.06795	2.6
177.09265	1.6
253.21773	34.3
267.23334	100.0
281.94681	1.3
339.70117	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	521.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84190	0.5
59.01380	3.6
61.47805	0.4
62.93036	0.4
72.65871	0.4
77.03960	0.8
89.02429	0.8
91.04005	2.4
92.65453	0.5
95.05016	3.6
105.03460	21.3
105.04168	0.7
117.03493	0.7
119.01385	0.4
119.05054	0.6
121.02950	1.1
123.04511	1.1
132.02155	6.9
133.02956	89.6
134.03741	19.1
135.04521	6.2
137.02443	6.7
138.36270	0.5
138.42741	0.5
139.04002	3.0
145.06688	0.6
147.04512	2.8
148.05324	5.4
149.02397	1.9
149.06071	1.7
150.03233	0.9
158.07399	0.9
159.04601	0.5
160.01665	38.2
161.02454	34.5
161.06085	8.0
162.03160	0.9
171.04512	0.5
171.08235	0.8
172.16609	0.5
175.04007	80.8
177.01979	4.7
178.02728	3.6
179.03499	5.0
191.03500	0.8
193.05038	7.4
194.02214	0.6
197.11403	0.5
204.11534	0.6
211.13364	1.1
215.87834	0.5
233.08319	1.1
242.59373	0.5
243.10385	0.6
247.09738	3.6
260.17810	0.6
261.11313	3.4
271.22772	13.5
275.12894	0.9
289.14401	4.4
291.19672	2.4
303.16064	2.5
309.20718	2.9
317.17679	3.5
327.19531	2.1
331.19260	2.6
345.20776	9.6
345.60870	0.5
347.25974	2.4
359.22321	1.1
361.27539	3.1
373.23929	0.5
387.25714	0.5
415.24969	13.5
429.26520	23.3
433.26007	3.7
447.27560	38.8
470.22812	2.2
480.93985	0.5
485.25253	4.2
506.29330	4.9
521.31250	100.0
522.31439	2.7
546.37201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46533	0.8
55.01872	1.6
57.03455	1.3
59.01381	38.3
61.98832	30.1
71.01379	9.0
73.02946	1.8
74.02483	0.9
76.05933	0.9
79.73427	0.8
80.02667	0.8
81.03508	2.6
83.01375	1.1
83.05032	1.6
85.02952	1.7
87.00883	1.3
88.98792	1.2
89.02447	9.2
96.00947	1.4
97.02934	7.2
98.47072	1.1
101.02435	8.4
105.12569	0.8
105.59149	0.8
108.02170	1.0
109.02925	1.2
109.06590	45.5
110.03702	0.9
113.02447	4.3
116.92839	1.4
121.06561	3.1
128.21947	1.0
135.08173	4.9
136.05209	0.9
137.02441	1.1
142.02696	3.7
143.04596	1.6
144.04971	1.0
151.03976	1.3
161.04507	1.6
161.09677	3.6
163.11285	25.1
179.10793	1.0
181.12361	6.5
189.09229	3.9
207.10286	100.0
225.11330	42.7
227.14008	1.7
235.08302	0.9
253.09314	20.4
284.03195	4.6
299.05618	2.2
308.07468	1.5
309.08270	1.2
341.14359	1.2
359.15115	7.6
443.19565	1.3
459.21805	1.0
461.20343	32.0
504.17123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88122	3.0
54.73361	3.0
59.66467	3.3
61.98842	18.5
64.43128	3.1
64.63035	3.0
65.22731	3.5
65.96838	3.1
66.06168	3.7
67.29541	3.4
71.25337	3.1
105.03480	23.8
133.02962	100.0
134.03738	14.7
135.04532	5.6
137.02499	5.5
148.05255	4.5
152.99600	5.0
160.01672	48.0
161.02478	27.0
175.04025	84.0
178.02763	4.4
271.22693	16.2
345.20615	6.9
361.27512	5.5
415.25058	9.5
429.26294	24.7
447.27441	48.1
521.31177	99.4
522.31384	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46533	0.8
55.01872	1.6
57.03455	1.3
59.01381	38.3
61.98832	30.1
71.01379	9.0
73.02946	1.8
74.02483	0.9
76.05933	0.9
79.73427	0.8
80.02667	0.8
81.03508	2.6
83.01375	1.1
83.05032	1.6
85.02952	1.7
87.00883	1.3
88.98792	1.2
89.02447	9.2
96.00947	1.4
97.02934	7.2
98.47072	1.1
101.02435	8.4
105.12569	0.8
105.59149	0.8
108.02170	1.0
109.02925	1.2
109.06590	45.5
110.03702	0.9
113.02447	4.3
116.92839	1.4
121.06561	3.1
128.21947	1.0
135.08173	4.9
136.05209	0.9
137.02441	1.1
142.02696	3.7
143.04596	1.6
144.04971	1.0
151.03976	1.3
161.04507	1.6
161.09677	3.6
163.11285	25.1
179.10793	1.0
181.12361	6.5
189.09229	3.9
207.10286	100.0
225.11330	42.7
227.14008	1.7
235.08302	0.9
253.09314	20.4
284.03195	4.6
299.05618	2.2
308.07468	1.5
309.08270	1.2
341.14359	1.2
359.15115	7.6
443.19565	1.3
459.21805	1.0
461.20343	32.0
504.17123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
58.95160	0.3
59.01389	2.5
60.73645	0.3
61.98842	0.4
71.01400	0.9
85.02959	0.6
101.02481	0.8
108.02168	0.4
109.02963	19.1
113.02479	0.7
116.92857	4.4
121.02941	0.8
123.04538	0.9
131.07104	0.8
137.02417	0.5
137.06105	4.2
145.12909	0.4
148.05338	0.6
158.03674	0.6
159.04526	10.3
160.05334	0.8
160.93315	0.4
161.06097	1.5
162.03275	0.5
163.03989	0.5
169.12637	0.4
173.06070	6.7
185.06056	0.5
189.05573	8.2
190.06421	0.5
191.07211	4.2
201.05640	0.5
203.07146	3.9
205.05182	0.5
213.05688	0.8
240.04311	3.6
241.05074	16.0
251.06955	0.6
255.06680	11.8
265.08810	0.7
267.06775	3.0
268.07428	0.5
269.08203	4.4
281.08194	2.6
283.09875	1.0
295.09726	1.6
297.11447	0.5
298.08578	1.6
299.09232	12.6
313.10889	13.8
315.12341	1.0
327.12512	0.8
329.10391	10.5
329.14008	0.7
341.10406	0.6
343.11887	3.7
344.12701	41.5
359.15073	100.0
360.15292	2.0
521.20660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1878
Annotation	Asystasioside A
Peak:m/z	Relative Intensity
55.01891	5.6
59.01390	100.0
59.01656	6.0
61.98846	18.5
71.01375	72.4
73.02971	26.7
83.01399	4.6
85.02980	23.9
89.02443	50.7
96.96023	8.8
101.02440	48.9
113.02472	26.1
116.92843	46.7
119.03535	12.2
122.03765	8.9
125.87337	5.8
129.57919	5.1
131.03461	6.8
138.05536	5.2
152.04872	4.9
160.84254	7.0
161.04587	24.1
162.83929	18.8
163.06204	5.2
164.04846	7.3
179.05632	18.5
179.07164	6.2
179.10742	21.9
197.08234	8.4
215.10864	7.2
220.20216	4.7
221.06653	7.3
272.80997	4.8
315.27411	5.2
359.13660	22.8
521.19049	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
71.01386	2.0
71.91566	0.2
73.02967	0.5
73.50482	0.3
73.76591	0.2
80.52872	0.3
83.01390	0.3
85.02962	0.5
101.02455	0.7
118.82059	0.3
121.02946	5.2
122.03764	2.3
123.00906	0.7
124.01688	0.5
134.18834	0.3
136.01605	1.0
136.05296	1.4
137.02429	0.4
137.06044	0.4
143.05061	0.7
147.04536	3.0
149.02457	1.6
150.03238	5.3
151.04001	2.5
153.05602	0.6
158.03703	4.0
159.04509	11.5
160.05301	42.5
161.06073	12.6
162.03215	0.4
163.04036	5.9
164.04782	5.3
168.04291	0.4
173.06071	6.8
174.06830	1.5
175.07637	36.0
176.04726	0.7
177.05571	9.1
178.06360	15.4
192.07936	3.9
193.08743	4.0
201.96577	0.3
281.08197	0.5
296.10452	0.5
312.95645	0.4
314.11502	1.3
326.11554	0.3
329.13980	100.0
330.14380	1.3
359.14990	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.0
57.03461	1.4
58.00607	1.6
59.01382	31.4
59.01652	1.5
71.01383	21.1
72.99323	1.1
73.02967	4.7
83.01409	4.8
85.02957	7.7
87.00898	3.8
89.02464	6.0
90.47662	0.8
96.06076	0.9
97.03014	1.0
101.02444	11.5
101.88758	1.0
109.02993	1.1
111.00890	1.6
113.02475	4.0
119.03481	1.8
121.02959	8.7
134.20537	0.9
135.04520	1.6
136.01665	1.1
145.02937	1.0
147.04530	1.7
149.68214	1.0
151.04007	1.6
159.04593	1.8
164.36163	0.9
182.63229	0.9
195.02972	0.9
201.17830	0.9
216.95055	0.8
224.04669	1.2
238.06378	1.2
253.04990	1.0
255.06520	3.8
263.06985	1.3
265.08704	1.5
267.06622	2.1
268.07449	6.4
269.08240	7.9
270.09006	1.8
271.09814	1.4
280.07440	1.5
281.08194	18.7
282.09061	6.6
283.09821	8.7
293.08228	2.3
294.09030	2.0
295.09833	5.0
296.10544	2.1
297.11481	1.1
299.09247	7.9
300.09982	2.3
302.07974	1.4
309.11282	1.3
311.09265	5.2
312.10013	1.4
313.10931	1.0
314.11591	12.8
315.12463	6.3
326.11630	14.6
327.12402	8.2
329.14056	17.1
341.13962	10.0
343.12051	4.3
355.12042	7.2
461.14346	1.3
473.14423	3.6
476.16879	11.7
488.16980	6.3
491.19315	100.0
503.19263	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0882
Annotation	Cassiamin A
Peak:m/z	Relative Intensity
50.43882	0.3
51.88180	0.3
54.95535	0.3
59.01384	0.5
61.65210	0.3
61.98839	0.4
62.59935	0.3
63.02396	3.0
65.00336	2.1
69.76353	0.4
76.57316	0.4
77.48858	0.4
83.01398	0.5
98.38593	0.4
107.01402	4.1
119.05044	0.5
143.05042	6.5
145.02939	1.6
149.02492	0.4
151.00381	5.2
155.05052	1.7
179.05043	2.8
187.03972	1.8
197.05933	0.6
221.06134	2.9
223.04056	2.5
233.06068	0.6
259.07715	0.8
261.05484	0.5
263.06946	0.5
277.05060	0.8
285.05630	0.5
287.07117	0.8
289.05081	0.4
305.04568	6.3
307.06152	12.5
309.04099	0.7
319.06223	0.7
331.06152	34.2
333.04077	7.1
347.05865	0.9
375.05148	100.0
376.05502	0.7
399.04980	1.6
521.08856	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85321	0.3
59.01390	1.6
71.01375	0.7
73.02939	0.8
80.46014	0.3
88.98814	0.4
96.95992	2.4
99.92577	6.9
116.78163	0.3
116.92854	100.0
116.97257	1.5
117.01942	0.5
117.92821	0.5
119.05037	0.8
150.03099	0.4
298.95523	0.4
434.42014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93483	0.7
55.01890	1.6
58.00592	0.9
59.01387	100.0
63.23714	0.9
71.01385	46.6
72.99312	1.9
73.02943	3.8
83.01409	1.8
83.30965	0.9
84.19624	0.9
85.02957	13.0
87.00897	1.0
89.02441	57.3
95.01382	4.4
96.96016	2.1
101.02448	29.0
113.02467	22.1
119.03510	25.4
119.05009	29.4
125.02425	2.0
131.03505	1.6
133.06619	1.2
137.06067	10.1
143.03474	4.0
161.04593	3.9
161.05992	1.2
179.05611	8.5
182.05852	1.3
191.07104	1.6
197.08171	1.9
231.75844	1.2
299.11371	89.2
323.09778	7.1
359.13492	2.3
371.13525	7.8
383.13303	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	519.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81969	0.6
53.53074	0.6
61.98835	0.9
78.95897	64.6
96.96952	6.7
103.60339	0.7
105.10023	0.7
150.98016	1.3
152.99594	100.0
171.00644	4.8
358.52838	0.7
408.73590	0.7
519.27399	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	520.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83332	0.4
58.02977	0.8
59.01390	2.2
61.98838	100.0
64.41024	0.6
65.37276	0.4
65.57226	0.4
71.01401	0.5
71.30881	0.4
71.53724	0.4
74.02472	2.6
82.96297	0.4
86.02506	0.8
86.82177	0.5
87.05661	0.7
89.02472	0.6
99.05634	1.8
117.66605	0.5
118.06621	0.5
128.03545	5.7
134.06071	2.1
136.07698	0.5
143.04605	7.7
144.04929	0.9
160.00754	0.4
179.04597	1.0
180.06589	0.9
181.07077	0.6
254.07832	1.0
272.08951	1.1
276.30032	0.5
306.07642	0.7
307.07895	2.6
308.07495	3.5
341.10529	0.6
343.25446	0.4
430.78073	0.5
528.39374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48148	0.3
55.63316	0.3
57.14468	0.3
59.01387	0.4
61.98836	0.3
63.85919	0.3
78.95902	52.2
96.96961	6.9
111.78368	0.3
150.98003	2.6
152.99602	100.0
171.00659	2.8
191.31454	0.3
231.40034	0.3
276.77625	0.3
279.23242	1.8
396.34436	0.3
433.23633	17.2
520.26929	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	519.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.3
61.61163	0.9
65.18816	0.9
71.01398	2.4
71.89528	1.0
73.02955	1.2
75.27184	1.0
77.02757	1.1
89.02483	1.6
92.10165	2.2
101.02448	5.0
108.31279	1.1
113.09720	1.9
115.07677	1.4
139.11284	1.2
142.68176	1.1
155.10788	2.2
167.10788	4.5
172.50058	1.1
200.80795	1.1
253.09290	9.8
265.18170	9.2
283.19165	100.0
410.25165	1.1
499.52722	1.5
519.31714	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1877
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.11253	0.2
54.76960	0.2
57.80015	0.2
59.01377	0.5
67.60368	0.2
71.01384	1.5
73.02969	0.4
85.02966	1.1
93.03455	0.5
96.96053	0.3
101.02444	0.5
108.02216	0.4
109.02983	0.4
113.02475	0.4
115.78403	0.3
118.68597	0.3
121.02942	6.2
122.03725	4.7
123.00906	0.3
123.04517	0.3
134.03738	1.0
136.01657	80.5
137.02457	2.3
141.13998	0.2
149.06100	0.4
151.04010	100.0
152.04292	1.0
154.02679	0.3
159.04492	0.5
160.05338	1.8
161.04530	1.0
161.05888	0.2
162.03215	1.4
163.04008	1.5
175.03940	0.4
175.07561	0.5
176.04767	0.3
177.05588	2.0
179.03401	0.4
189.05559	0.3
190.06418	0.3
203.07019	0.2
224.98184	0.3
256.07413	0.3
311.12961	0.4
342.11111	4.8
357.13470	64.8
358.13809	1.3
369.20932	0.3
466.22534	0.2
485.44061	0.3
497.39874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23598	0.8
55.01885	2.2
57.03453	37.2
58.00620	2.0
58.25567	1.0
59.01384	100.0
60.32948	1.0
61.21152	1.0
65.74516	1.1
67.19902	1.0
71.01381	46.1
72.99310	2.1
73.02946	24.8
81.03473	1.4
83.01382	9.1
85.02961	12.6
87.00893	2.4
89.02439	29.3
93.03459	1.8
95.01384	2.4
96.96011	5.9
99.00910	1.4
99.04537	7.1
101.02444	45.1
113.02435	14.3
113.06086	1.9
119.03481	11.2
121.02917	1.4
123.04502	6.4
125.02458	2.5
141.05551	1.3
143.03471	2.1
149.04486	1.1
150.03227	1.5
161.04526	8.1
163.04117	1.3
165.05600	1.7
177.09215	2.6
179.05650	2.4
192.06721	1.0
214.07007	1.1
257.38226	1.6
270.28979	1.5
301.77673	1.4
331.17557	2.1
371.17224	1.5
375.16650	64.0
417.17743	44.8
457.21085	10.8
519.20850	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82530	0.4
59.01381	2.8
60.39935	0.3
61.98833	100.0
63.13106	0.3
66.97765	0.3
86.82623	0.4
90.02728	0.4
119.04970	0.7
151.00383	0.7
173.18790	0.4
229.72450	0.4
239.12004	0.4
252.06348	0.5
271.06067	0.6
326.48642	0.4
348.59525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71414	0.7
61.98834	100.0
71.14417	0.7
76.57536	0.8
78.95917	1.3
95.78272	0.8
152.99599	4.1
198.08961	0.8
313.44669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30272	0.2
51.52241	0.3
55.38530	0.2
56.03904	0.2
58.11732	0.2
59.01392	3.9
60.99322	0.2
61.98860	0.3
62.17771	0.2
70.12526	0.3
71.01392	1.1
73.02953	0.7
83.81651	0.2
85.02975	0.3
88.98817	3.6
89.02469	1.0
89.55984	0.3
90.15006	0.3
96.96013	1.6
99.00913	0.4
99.92583	6.3
101.02479	0.4
103.00362	0.6
113.02422	0.5
116.92858	100.0
116.97244	1.9
117.01926	2.4
117.92858	0.4
119.03522	0.3
150.03224	0.4
165.01976	0.3
255.96953	0.3
362.77612	0.3
508.46295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13375	0.5
50.43806	0.6
58.00266	0.6
58.02987	11.7
59.01384	5.1
61.98844	3.2
68.67462	0.6
70.02992	0.8
71.01390	3.8
72.00918	1.3
73.61353	0.6
74.02475	20.7
81.04593	1.3
82.03001	2.8
84.04587	1.2
86.02475	8.3
86.99109	1.5
87.05653	5.7
88.04076	0.9
89.02449	1.8
90.00166	1.3
97.04095	4.1
99.05641	20.7
101.07226	3.0
102.05614	3.4
103.07433	0.7
107.06178	0.8
109.04091	3.5
109.07737	1.1
111.05683	1.5
112.04063	3.6
116.01778	1.0
120.01287	0.9
123.05672	1.4
124.04100	0.8
125.03572	1.6
127.05131	4.3
128.03542	50.4
134.06085	1.4
135.05614	5.8
136.07706	0.9
137.07242	0.9
141.06696	5.5
143.04630	70.2
145.06206	3.0
146.04608	3.9
153.06711	6.7
155.08290	1.0
160.00746	18.3
166.09882	3.8
167.04614	4.8
167.08261	1.4
171.07706	1.1
177.03389	5.5
179.04643	12.8
181.06241	1.4
185.05629	1.8
197.05710	1.7
198.71738	0.7
210.08873	13.6
241.65007	0.7
242.07803	1.0
254.07901	14.5
272.08884	19.4
288.06558	8.4
293.08810	1.0
301.50046	0.8
306.07681	100.0
407.56326	0.8
518.22015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05333	1.0
55.01893	10.2
57.03465	7.9
59.00476	1.1
59.01390	90.5
69.03482	1.3
71.01385	74.3
71.01775	2.5
72.99321	2.1
73.02948	31.7
73.31017	1.0
81.03460	1.0
83.01389	24.4
85.02960	37.1
85.03461	1.7
86.00090	1.6
87.00908	5.5
89.02449	16.5
92.10140	1.3
95.01390	4.7
97.02940	4.6
99.00879	11.2
101.02444	63.5
103.04024	1.9
106.06624	4.1
107.06999	1.0
113.02453	32.8
119.03429	1.5
125.02443	6.8
129.01955	1.7
136.01654	18.4
137.02460	1.8
143.03479	4.6
150.05577	1.3
151.04019	22.6
151.05948	1.5
154.35744	1.2
159.02983	6.0
161.04575	25.3
163.06136	1.9
179.05630	2.1
179.41730	1.2
181.05113	4.1
233.22720	1.5
247.08180	1.6
313.09329	56.1
335.19800	1.1
357.09753	1.6
357.13525	13.7
399.12869	1.5
459.15085	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	518.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20565	0.1
59.01382	2.9
61.98842	0.4
64.55294	0.2
71.01379	1.4
85.02966	1.0
101.02430	0.3
104.05062	1.5
106.06626	100.0
107.07009	0.2
108.08199	3.9
113.02474	1.4
113.71716	0.2
116.05060	0.2
118.06607	3.1
120.08195	1.3
130.06645	2.3
131.03758	1.3
132.04533	0.7
134.06155	0.4
136.07671	0.8
146.06120	2.6
148.07681	0.3
150.05612	60.6
162.05603	0.9
164.07178	17.8
174.05594	1.8
176.07242	0.3
186.48999	0.2
192.06673	8.4
194.04593	14.2
222.07782	1.0
224.17204	0.2
236.05670	4.3
250.07283	1.0
278.06662	1.1
296.07709	3.1
356.09924	41.2
357.10306	0.3
398.11050	0.7
453.79129	0.2
458.13715	0.2
480.22034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11987	0.6
50.54465	0.6
52.42822	0.7
55.01906	0.9
57.03450	100.0
58.62733	0.8
59.01380	88.0
67.58536	0.8
68.19202	0.7
70.26223	0.7
71.01373	12.3
71.88036	0.6
73.02956	2.9
81.03456	2.9
85.02516	0.7
85.02934	5.9
87.00893	1.1
89.02431	9.4
99.04509	69.4
99.92602	1.2
101.02436	21.2
113.02428	6.7
116.92846	35.2
119.03522	3.7
119.04985	0.9
125.02434	32.7
143.03485	1.7
161.04593	4.5
185.11757	0.8
263.16583	1.6
281.17624	5.6
327.21832	1.7
348.34735	0.8
355.21289	3.3
373.22342	19.0
374.08002	0.8
415.23422	6.9
517.26746	4.8
540.04333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	25.8
57.62759	3.3
59.01386	61.8
61.98851	4.6
65.99717	3.3
67.19918	3.4
70.01208	3.5
71.01382	22.4
71.39558	3.3
73.02960	6.2
75.84319	3.6
76.18464	4.4
89.02461	15.1
92.55518	3.9
95.05054	5.0
97.06600	18.2
99.04518	8.5
101.02435	24.0
113.02476	6.2
119.05050	3.8
121.02971	36.5
125.02391	4.9
134.07286	4.4
135.08151	14.8
151.11185	7.4
165.12842	8.8
170.44687	4.5
191.14389	4.6
206.57938	4.9
219.17603	44.8
253.09276	47.3
263.16507	99.5
281.17548	100.0
281.20340	6.8
336.37695	4.0
401.08911	8.4
491.61353	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	517.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	53.7
82.51056	0.7
96.96943	6.7
150.98027	4.3
152.99599	100.0
157.78116	0.8
171.00652	4.1
281.24710	0.9
324.55865	0.8
435.25223	20.3
496.00571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	76.6
61.98845	100.0
69.95624	39.7
87.50004	40.6
90.42207	41.8
125.38152	48.4
137.32986	48.1
207.11319	45.6
313.73285	66.1
334.44885	43.4
354.61301	43.1
358.37042	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70572	0.6
55.01891	0.5
57.03468	1.1
59.01388	16.1
64.21745	0.6
69.03458	0.9
71.01381	6.9
72.99300	0.5
73.02941	0.8
83.05041	0.8
85.02956	3.3
87.00873	0.8
89.02448	6.2
91.37307	0.6
95.01385	0.8
95.05032	1.1
97.06607	2.3
101.02430	8.6
109.06596	0.8
111.08138	0.9
113.02431	4.0
113.09719	2.9
119.03494	1.2
121.02949	0.7
126.06869	0.5
127.07602	0.6
129.02028	0.7
135.08151	0.8
137.09682	4.0
139.07661	2.8
139.11275	3.9
141.09210	7.0
151.11311	1.0
153.09242	1.3
155.10760	2.2
165.12843	9.5
167.10780	3.6
183.10301	2.6
187.45100	0.7
191.14368	1.4
197.11673	0.5
197.82529	0.6
212.10455	0.8
215.28336	0.6
219.17535	9.6
233.97046	0.7
237.18591	3.7
245.15456	3.9
253.09308	16.7
253.18063	0.9
263.16522	30.2
281.17575	100.0
306.75717	0.7
341.39246	0.6
463.28806	0.6
517.26447	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	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30799	0.9
55.01898	1.7
57.03467	1.7
58.00612	2.9
59.01391	98.7
59.87940	1.1
69.03470	13.0
70.19317	1.0
71.01391	100.0
72.99316	2.1
73.02956	14.4
74.02505	1.2
75.00870	1.6
77.22097	1.2
80.37038	1.0
81.03462	2.8
83.01399	10.2
85.02962	12.8
87.00880	1.3
89.02446	98.7
90.57209	1.3
95.01389	1.2
97.02963	17.1
99.00889	17.3
99.04522	4.6
101.02448	15.4
103.04313	2.4
106.06634	11.9
111.00896	2.0
112.04005	1.5
113.02473	11.3
115.04024	13.5
115.11430	1.2
118.06612	17.3
119.03475	1.5
120.04531	1.4
125.02445	53.7
128.03508	1.6
131.03494	10.1
134.06126	45.6
136.07677	32.5
143.03571	1.7
143.04634	6.6
148.05316	84.9
149.04546	13.4
161.04610	1.7
163.07660	23.2
178.05107	17.9
180.06664	45.8
189.11069	1.3
191.05614	7.7
192.06689	6.5
194.08170	2.3
208.73430	1.1
210.08829	1.8
220.06194	8.1
222.07825	5.0
233.06662	35.7
283.31641	1.5
293.08817	88.6
306.07657	6.4
328.35617	1.3
340.10413	29.8
342.11932	2.8
418.03470	1.3
457.17117	2.4
492.59033	1.2
517.57507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49255	4.1
52.90248	2.9
53.46154	3.2
55.01894	13.4
57.03458	20.3
59.01391	34.8
59.01654	2.7
69.03480	3.3
71.01387	31.0
73.02969	4.7
75.00912	3.3
83.01408	5.9
85.02947	76.0
87.00900	14.8
89.02460	20.6
90.84354	3.4
96.96002	24.7
98.95665	3.2
100.04048	4.4
101.02467	13.7
111.00884	4.0
113.02463	12.1
115.00402	17.5
115.02306	3.7
116.92879	4.8
119.05018	68.0
121.02941	7.4
122.03755	27.9
127.00317	4.3
134.03740	4.1
137.02522	3.7
137.06062	5.8
145.26393	3.5
148.05313	3.9
149.06078	5.6
150.03297	5.1
163.04015	51.9
164.04791	18.9
165.05556	4.3
174.01700	6.6
175.02484	13.9
179.07112	22.6
182.05891	40.4
193.01471	3.5
193.05031	5.2
197.08221	100.0
223.06102	7.9
244.06551	5.2
283.11969	20.9
341.10974	15.8
355.10684	4.2
457.13553	19.9
457.26471	4.1
517.15649	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1721
Annotation	Phellamurin
Peak:m/z	Relative Intensity
55.41533	2.4
59.01380	15.1
60.22353	2.3
61.35293	2.2
61.98846	3.7
76.56927	2.6
85.02972	2.7
89.02467	2.7
99.87401	2.5
101.02514	2.7
106.06615	10.9
121.02943	16.7
134.03740	5.8
135.04590	21.5
145.02908	5.0
149.06105	5.1
160.01617	4.1
186.12914	4.8
230.11870	3.2
255.11363	4.1
263.07092	12.8
264.07971	3.4
274.10931	4.5
275.88837	3.0
280.07336	4.5
281.08194	25.1
296.10602	22.9
307.06146	13.7
308.07019	19.3
323.09351	28.0
340.09412	5.5
355.11938	100.0
442.62643	3.1
479.16660	13.8
479.52316	3.0
490.23834	3.5
517.17291	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	517.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17616	2.3
55.18927	2.5
59.48969	2.6
64.34686	3.0
99.92574	73.0
110.44411	4.0
115.92078	38.4
116.92859	95.6
117.03461	13.4
119.05037	12.1
121.03004	3.6
126.17361	3.4
145.02968	15.7
203.19820	3.1
259.72513	3.3
353.14703	5.4
499.18375	4.8
517.18982	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	517.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92599	2.7
71.17174	2.5
80.05311	2.4
99.92581	79.2
115.92085	36.7
116.79022	2.7
116.92065	5.6
116.92861	100.0
116.93687	3.3
117.03475	17.1
119.05015	12.1
119.54007	2.4
121.02980	3.2
145.02940	19.4
147.04532	5.1
250.22276	2.9
282.92020	2.7
323.13333	3.3
353.14133	5.1
387.25122	3.5
499.17978	5.1
517.19073	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75018	0.6
55.46626	0.6
61.98833	100.0
78.77174	0.8
127.41230	0.8
132.74448	0.8
309.45877	0.8
536.25635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53690	7.8
52.31515	6.1
59.01390	66.7
68.99588	12.2
71.01401	37.4
89.02451	54.8
92.10123	15.1
96.96026	31.3
101.02438	16.9
112.98657	9.5
113.02439	13.3
119.03488	12.2
119.05041	30.8
130.08752	40.1
139.46945	8.1
149.02428	37.9
150.72908	7.7
161.04561	7.9
163.04027	10.6
164.04846	13.8
172.09750	12.0
179.05621	12.1
179.40186	8.1
191.05722	13.5
193.01450	38.2
208.03802	53.9
223.06114	100.0
241.05103	71.4
255.06693	12.5
256.07397	50.2
271.09778	85.0
275.60864	9.5
287.08380	9.0
301.10886	8.5
346.25378	7.8
421.20831	8.3
517.15100	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	517.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14996	0.7
52.90571	0.6
59.01384	10.3
60.47348	0.8
63.26566	0.9
63.74909	0.7
65.01715	0.8
68.58133	0.8
71.01388	5.7
76.63084	0.8
86.99534	0.9
89.02429	6.4
89.57700	0.9
93.03459	1.9
96.96014	1.9
99.00840	1.1
101.02411	1.9
113.02426	1.9
114.93454	1.1
121.02939	5.4
130.08678	0.9
130.36557	0.9
135.04523	6.0
137.02409	2.2
149.02438	31.1
152.01170	9.2
163.04062	10.2
163.07761	1.2
164.04803	24.8
165.01891	3.8
169.05107	4.4
172.09651	1.3
179.05597	3.9
179.07146	7.7
180.71716	0.9
184.54134	0.8
193.01440	32.8
205.08775	1.0
208.03799	60.3
213.05685	1.2
223.06139	100.0
241.05095	6.7
249.32356	0.9
255.06743	1.4
256.07440	4.5
271.09763	3.8
309.32343	1.0
309.41235	0.9
352.71503	1.0
517.15778	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	515.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.4
58.00606	0.8
59.01390	100.0
65.39302	0.3
71.01387	12.4
72.99306	0.4
73.02953	0.3
83.01368	0.4
85.02964	2.2
87.00922	0.4
89.02444	16.1
101.02448	7.5
113.02451	5.3
119.03503	6.9
131.03542	0.6
143.03484	2.4
149.26425	0.4
161.04506	2.7
179.05597	8.5
209.86508	0.4
257.19232	0.7
275.20151	0.6
293.21292	0.8
294.53223	0.5
479.16733	0.8
484.63202	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	515.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75177	1.3
57.14412	1.3
63.80614	1.2
63.96241	100.0
63.96583	3.3
64.97021	2.2
69.70437	1.4
70.12401	1.2
78.39178	1.6
78.99733	1.3
81.12291	1.5
159.28331	1.7
177.09547	57.7
193.29662	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	515.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
57.03711	4.6
59.01380	67.9
59.10964	1.9
61.98841	3.3
71.01385	29.2
71.05017	4.3
73.02953	3.7
81.07100	2.5
83.01393	4.0
85.02969	13.8
85.77493	2.1
89.02463	9.0
92.11012	2.3
99.01004	2.2
99.04507	53.4
101.02416	21.3
107.10702	2.5
113.02438	14.0
125.02428	22.3
131.52086	2.6
137.09732	14.4
149.06062	2.7
161.04582	4.8
173.06107	5.5
176.04625	2.6
177.05548	11.2
196.54808	2.4
201.05511	12.7
209.15497	5.5
217.23897	2.4
219.06706	18.2
220.07436	5.6
371.20883	13.1
382.12543	5.0
448.62866	3.1
515.24768	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	515.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	21.9
57.03715	1.5
58.63403	0.7
59.01383	100.0
59.57479	0.8
71.01382	20.4
71.01723	1.4
71.54088	0.8
73.02982	1.5
83.01399	1.5
85.02974	5.4
87.00879	1.4
89.02436	21.0
95.01381	1.4
96.95988	6.5
99.04513	12.8
101.02435	11.9
104.67413	0.9
113.02441	6.6
116.92874	3.5
119.03488	8.4
123.08196	1.1
125.02465	6.0
143.03516	1.7
161.04530	3.7
179.05621	9.1
191.14482	3.4
215.14749	0.8
233.15700	0.9
269.45654	1.1
275.20114	1.5
293.21252	6.0
305.45023	0.9
306.23080	0.9
307.19165	1.7
309.10126	1.2
325.20383	1.5
515.24811	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61370	0.7
55.01890	3.0
57.03454	100.0
59.01384	66.6
60.02331	0.7
66.68556	0.7
71.01381	22.6
73.02943	10.5
73.58884	0.9
81.03476	1.2
83.01408	4.1
85.02953	10.4
89.02448	4.7
92.10790	0.8
95.01421	1.3
98.37379	0.7
99.00916	1.1
99.04515	66.2
101.02440	26.7
103.42050	0.8
113.02486	8.5
119.03499	2.6
123.04466	1.2
125.02446	25.2
143.03595	2.2
157.80989	0.8
159.03014	1.6
161.04576	11.5
168.40233	0.8
179.05606	1.3
191.14355	1.4
203.05589	5.4
209.15584	1.0
225.62715	0.8
371.20697	1.0
413.22116	4.5
453.25067	1.1
515.24933	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	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53332	0.9
53.10003	1.0
53.66882	0.9
54.82933	1.1
54.98935	1.1
57.03454	100.0
59.01383	71.5
66.36122	1.1
71.01376	12.4
73.02941	2.1
81.03467	2.0
83.01398	1.2
85.02964	7.7
89.02451	2.5
98.99741	1.2
99.04514	72.0
101.02411	14.1
113.02463	6.0
119.05028	1.5
125.02446	33.9
137.09712	1.7
139.11305	6.3
166.39447	1.3
175.74939	1.4
191.05603	2.6
191.14471	3.0
196.46997	1.2
197.45401	1.3
209.11938	1.6
209.15492	6.8
267.09012	1.5
371.20782	8.3
413.21918	3.1
515.24738	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86676	2.4
57.03447	31.6
59.01381	100.0
61.98842	6.2
71.01397	20.2
71.05022	2.4
73.02930	3.6
75.37560	2.5
79.27951	2.7
80.62050	2.4
83.01421	3.1
85.02950	3.5
89.02444	15.3
92.10795	6.5
92.88560	2.6
99.04521	16.7
101.02450	12.0
101.24105	2.9
112.51710	2.5
113.02431	4.7
116.26379	2.9
119.03510	3.9
125.02384	2.9
185.96521	3.4
209.11940	3.3
262.81351	3.0
307.19443	9.7
325.20160	5.1
337.06729	2.6
432.99945	2.9
515.25122	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47506	2.6
57.03456	30.4
58.71578	3.1
59.01382	93.2
61.71732	2.3
61.98864	3.5
71.01405	5.3
74.67728	2.4
85.02947	3.2
93.98347	2.5
96.96035	3.1
99.04513	13.1
101.02419	3.7
112.46980	3.1
120.05875	2.7
123.08198	4.2
125.02435	3.1
137.02512	3.0
161.04506	3.0
171.02565	3.2
207.13873	10.7
208.14185	3.5
209.14635	4.0
257.18967	4.1
263.20020	4.7
275.20148	31.5
287.13873	4.9
293.21277	100.0
351.19070	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	515.239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	1.1
71.44432	0.9
78.95908	51.9
79.43098	0.8
80.71464	0.8
93.76093	0.8
96.96952	7.3
147.68048	0.8
150.97949	1.0
152.99597	100.0
168.15588	0.8
171.00635	3.7
209.14117	0.7
279.23172	1.3
283.65811	0.9
374.72534	1.0
375.86450	0.9
433.23672	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	515.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35785	0.5
54.83362	0.5
55.01884	1.0
57.03455	100.0
58.00620	0.6
59.01385	68.1
60.34128	0.6
60.59444	0.6
61.75509	0.5
61.97791	0.5
63.57916	0.6
69.03475	0.6
71.01387	24.7
73.02954	11.2
81.03487	1.2
83.01394	5.8
85.02961	11.6
88.98785	0.7
89.02449	9.5
90.70678	0.6
92.10796	1.3
95.01403	2.7
96.96026	0.9
99.00891	2.7
99.04520	51.0
101.02438	26.9
113.02452	10.9
117.37793	0.7
119.03493	3.7
123.04492	1.5
125.02449	21.0
134.06120	3.7
135.54916	0.6
137.02420	0.7
143.03526	2.6
153.05664	0.6
161.04573	7.1
178.04956	0.8
179.05588	3.0
340.10336	0.8
371.20740	3.9
413.22006	1.2
437.96326	0.8
515.24976	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	515.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98866	0.6
69.61247	0.5
82.90485	0.5
82.94502	0.5
85.90866	0.6
92.10123	1.2
93.03484	2.5
95.57376	0.7
99.78259	0.6
108.02213	0.8
121.02969	6.6
122.03735	14.8
123.04543	1.3
133.02951	0.7
134.03737	11.4
135.04561	2.7
136.01671	29.6
137.02437	1.4
149.02455	20.9
149.06125	3.7
150.03235	100.0
151.04015	21.4
164.04787	4.1
165.05576	79.7
165.34676	0.5
180.04323	6.9
185.06107	1.2
195.04779	1.7
195.06647	33.0
197.06113	0.9
212.04816	0.7
213.05576	12.2
223.04044	2.9
224.04802	1.3
240.04396	0.9
241.05093	46.8
255.06544	1.3
256.07446	29.2
271.09793	52.8
299.09308	3.4
319.11911	4.6
467.17010	5.4
474.14294	0.6
515.18939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62017	1.0
53.88028	1.6
54.82404	1.3
55.01891	1.8
57.03452	100.0
59.01382	60.0
60.14958	1.2
63.63480	1.2
70.29121	1.4
71.01378	21.0
72.73785	1.4
73.02959	7.9
83.01407	3.5
85.02964	9.9
88.35907	1.3
88.83064	1.1
89.02457	5.9
92.10712	1.5
99.04510	58.3
101.02435	31.5
113.02423	10.0
119.03522	2.0
121.42225	1.4
125.02433	28.4
143.03516	2.6
161.04510	8.2
163.67470	1.5
191.14427	2.3
203.05585	3.5
210.81688	1.5
261.11670	1.4
482.49280	1.5
507.44080	1.5
515.25110	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	515.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	1.9
61.98859	1.0
78.29879	0.8
85.34750	1.0
87.00882	1.2
91.99631	0.9
92.10789	2.1
93.03458	1.9
108.02176	1.2
113.59566	0.9
115.00385	3.7
116.92876	1.3
119.04997	1.7
121.02958	16.7
122.03754	13.9
123.04520	1.6
131.08842	1.0
133.02982	6.4
134.03743	50.1
135.04527	13.1
136.01663	56.7
137.02408	6.6
147.04530	1.5
149.02446	29.9
149.06071	20.0
150.03233	100.0
151.02841	1.9
151.04018	43.9
152.04764	5.5
154.87892	0.9
164.04768	6.9
165.05565	65.6
167.07115	1.4
169.16150	0.9
175.02431	1.6
175.64314	0.8
180.04279	5.5
185.06032	2.2
195.04744	1.9
195.06606	21.2
197.06073	1.5
213.05583	17.7
223.04001	4.7
224.04784	6.4
231.46500	1.0
239.07214	1.2
240.04274	2.2
241.05092	93.4
242.05614	1.8
252.04381	4.0
253.05116	6.9
255.06602	5.5
256.07419	56.4
257.08130	1.8
267.06778	1.4
269.04480	1.4
270.08875	1.7
271.09790	94.8
284.06927	4.9
285.07764	12.9
299.09247	16.6
319.11896	10.2
419.14914	4.1
460.39716	1.1
467.17172	50.0
468.17358	1.6
515.12231	2.1
515.19275	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	515.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.6
58.00616	2.2
59.01385	91.8
71.01385	65.4
72.99319	3.4
73.02963	6.9
74.83875	1.4
77.35765	1.7
83.01414	5.8
85.02963	16.7
87.00858	5.3
89.02448	71.5
93.03436	12.9
99.00867	16.8
99.04548	1.5
99.08170	1.4
101.02446	28.7
108.60535	1.4
111.00883	11.5
111.04539	2.2
112.98811	53.6
113.02448	20.4
115.00402	3.5
119.03515	26.1
124.98821	2.4
129.01942	3.1
131.03519	2.5
137.02434	2.6
142.99854	19.0
143.03481	2.3
155.03455	2.4
161.04535	5.5
173.00941	17.9
173.04492	14.0
179.05586	24.1
323.02756	1.9
341.10928	100.0
505.41074	1.6
517.09283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82442	0.1
59.01379	0.4
64.41164	0.1
71.01391	0.2
78.95901	3.2
79.95725	1.2
93.03489	0.3
96.96008	100.0
96.96894	4.5
111.00898	0.3
111.04552	0.3
119.05013	0.3
121.74904	0.2
137.02493	0.2
144.69588	0.2
173.04524	0.9
221.00699	0.2
264.77808	0.2
293.10263	0.4
311.57297	0.2
311.69553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62084	2.2
56.26615	2.0
57.03452	2.5
59.01382	45.4
61.98831	5.2
71.01385	27.8
72.99321	2.5
80.91679	2.7
82.95452	9.4
83.01370	3.2
83.05024	3.0
85.02960	3.6
89.02460	12.4
92.10739	4.9
93.03445	4.2
96.96046	3.6
97.02950	3.4
99.00900	3.0
99.39123	2.3
101.02435	13.9
106.06645	12.6
107.01370	3.7
109.06573	37.5
113.02448	2.7
114.38808	2.3
115.79561	2.4
118.06628	2.9
119.03593	4.0
119.05033	11.8
134.06120	84.5
135.08220	4.5
136.07677	15.3
138.05592	18.8
151.00369	12.4
156.00571	2.4
161.04527	3.3
163.11334	21.3
164.07230	2.6
178.05098	28.1
179.05676	3.0
180.06694	4.8
181.12321	3.8
192.06660	11.7
194.08415	2.4
207.10292	100.0
209.11842	5.1
220.06142	4.5
225.11371	60.9
253.09317	27.4
271.06171	26.5
280.08127	4.0
280.95502	2.9
314.28421	2.5
340.10394	38.7
354.76746	2.8
397.72742	2.7
419.15689	2.7
461.20334	27.0
462.21219	9.8
501.65732	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	514.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96810	0.1
59.01393	0.4
61.98834	100.0
72.34848	0.1
92.65926	0.1
251.59837	0.2
453.33691	0.3
454.33719	1.0
482.28488	0.2
514.32501	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	514.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.74531	1.1
72.64989	1.0
77.44704	1.1
146.89117	1.3
196.73894	1.2
255.79387	1.2
257.93109	1.4
262.51492	1.1
319.10388	1.1
323.55728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53877	0.5
59.01385	3.9
61.98835	3.3
63.02399	2.7
65.00313	6.5
70.08804	0.6
71.01398	1.5
71.46095	0.5
72.43723	0.5
80.91681	14.2
83.01398	4.9
85.02966	0.7
87.35905	0.6
89.02438	0.7
92.26894	0.6
93.03463	8.0
106.06637	3.4
107.01392	15.4
113.02515	0.7
117.00428	0.8
118.06638	1.4
119.05022	49.0
123.03252	1.4
125.02414	2.6
134.06117	35.2
136.07678	4.6
138.05600	7.1
145.02873	1.1
151.00383	56.2
163.11195	0.7
164.01242	0.7
164.07178	1.5
165.01929	2.8
169.01305	0.9
177.01976	4.9
178.05104	13.9
180.06691	1.0
187.04147	0.9
192.06679	3.9
193.01421	0.7
207.10254	3.9
220.06178	4.3
225.11295	1.4
227.07190	1.2
243.03726	0.8
271.06152	100.0
293.04324	13.5
295.06332	0.8
340.10458	15.2
353.05612	1.3
370.59988	0.7
433.11630	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93532	0.3
53.50706	0.3
59.01383	7.6
71.01387	5.3
73.02961	1.7
76.01512	0.4
78.95918	2.2
83.01385	0.6
85.02989	0.8
89.02465	3.7
92.10796	2.2
95.01356	0.4
96.36451	0.4
101.02424	4.2
108.67101	0.3
113.02466	2.4
119.03496	0.6
152.99588	2.1
156.49052	0.5
161.04553	0.7
253.09326	10.2
277.21741	100.0
278.21973	1.8
303.30023	0.5
337.36960	0.4
342.02103	0.4
359.81192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30883	0.7
59.01386	8.4
64.30105	0.7
65.45022	0.7
71.01381	4.9
73.02953	0.9
73.56023	0.7
83.31668	0.7
89.02446	4.6
98.66409	0.9
101.02422	5.6
127.50856	0.8
137.81105	0.9
143.24095	0.8
161.04509	1.1
189.80765	0.8
211.14531	1.0
233.87584	1.1
247.74521	0.8
253.09244	9.4
277.21750	100.0
473.91296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31370	0.6
50.94344	0.8
57.03452	100.0
59.01382	78.6
71.01378	18.4
73.02596	0.7
73.02945	6.5
81.03445	1.2
82.47703	0.8
83.01402	3.2
85.02940	10.1
89.02437	1.1
95.01393	1.4
99.00873	0.8
99.04510	61.5
101.02438	21.1
105.02036	0.9
109.06588	2.1
113.02461	5.8
120.52837	1.1
125.02441	33.6
132.89043	0.9
137.09724	4.6
143.03496	3.4
161.04558	10.7
192.11552	7.9
199.23721	0.9
203.05609	5.5
207.13927	34.2
243.08620	1.1
411.20636	3.0
469.23752	1.0
483.86124	0.9
513.23694	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	513.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03455	6.1
59.01382	70.0
61.98843	2.3
67.66592	0.5
69.03471	0.8
71.01380	6.3
73.02953	0.7
85.02958	1.3
86.77185	0.5
89.02431	4.7
97.06598	2.2
99.04517	0.7
101.02434	3.0
108.54663	0.5
113.02494	1.0
119.03489	2.6
123.08148	6.8
135.08241	0.7
137.09691	1.3
149.09761	0.8
151.07689	2.8
155.10782	0.6
160.08948	2.2
161.04550	1.2
164.08421	8.3
165.09206	0.8
171.08229	0.6
175.07658	0.8
179.05661	2.5
179.10774	0.6
200.12343	0.6
203.10858	2.9
203.14462	1.0
217.12355	0.6
229.15982	3.6
231.17528	1.0
247.16982	1.2
249.18549	1.1
263.20261	3.0
273.18625	20.4
275.16544	3.9
291.19690	100.0
292.19971	0.9
308.16339	4.5
339.61218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	88.8
58.00593	1.0
59.01382	100.0
61.98832	1.4
66.30077	0.9
71.01380	29.5
72.99284	1.4
73.02959	15.6
81.03473	2.6
83.01389	4.6
85.02959	9.3
85.03397	1.0
88.98795	1.7
89.02445	22.0
95.01408	1.5
96.54231	1.2
99.04514	65.4
101.02436	28.4
113.02435	13.5
119.03502	8.4
123.04521	5.0
125.02446	38.2
131.03503	1.9
135.17743	1.1
137.09682	11.7
143.03465	4.4
161.04634	9.4
172.97282	1.3
179.05632	4.3
213.62714	1.2
279.45419	1.2
513.23364	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	513.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08212	0.4
57.03453	93.1
58.71921	0.5
59.01384	23.6
60.97153	0.5
61.98848	0.7
64.34281	0.6
66.94616	0.6
69.03460	1.3
71.01382	7.2
73.02962	3.3
81.03459	2.6
82.95420	0.6
83.01406	0.9
85.02956	3.0
89.02460	0.8
95.04999	0.7
97.02953	0.9
99.04512	31.0
101.02445	12.6
108.11886	0.6
109.06609	4.5
113.02455	2.5
121.06602	1.0
123.08131	1.0
125.02443	20.2
137.09720	6.3
139.07626	1.1
143.03474	0.8
149.09685	1.0
161.04596	3.9
189.12845	0.8
192.11588	18.3
193.66000	0.5
195.88441	0.5
203.05701	2.4
207.13925	100.0
229.96040	0.6
283.49335	0.6
331.96075	0.6
513.23615	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	513.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
61.98844	0.2
71.01379	0.3
78.95904	3.1
79.95723	1.9
84.24911	0.1
89.02471	0.2
96.96007	100.0
96.96893	4.9
97.66965	0.2
101.02428	0.2
143.03725	0.1
269.08881	0.1
334.92398	0.1
391.17984	0.1
512.04889	0.2
513.23340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35137	0.7
61.98837	0.8
69.64206	0.6
74.18043	0.6
78.95898	58.1
96.96970	8.4
119.66942	0.6
150.98003	2.8
152.99591	100.0
171.00627	3.5
187.09698	0.7
277.21655	0.9
392.52661	0.7
406.77588	0.7
431.22083	17.4
432.04315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	91.1
59.01390	100.0
62.96246	0.7
69.88905	0.8
71.01382	30.1
71.14278	0.8
73.02945	18.8
75.24574	0.9
78.74800	0.8
81.03452	3.3
83.01401	7.3
85.02943	10.5
85.03311	0.7
85.50755	0.8
89.02441	20.2
92.10131	1.0
99.04510	59.8
99.79410	1.0
101.02439	38.5
113.02453	16.6
113.06075	1.0
119.03500	10.0
121.06593	1.0
123.04509	5.1
125.01506	1.3
125.02435	33.0
131.03528	1.6
137.09720	15.4
143.03476	4.2
149.04549	1.9
161.04559	14.4
174.51501	1.0
179.05666	6.5
189.07759	1.2
194.47792	0.8
203.05600	1.4
205.12918	0.8
221.06618	1.6
263.07651	4.0
297.95975	1.1
303.60977	0.9
323.09775	3.3
369.18881	1.1
402.97501	0.9
418.12424	1.1
469.24319	0.9
513.23639	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	3.4
63.20451	1.6
65.24422	1.3
66.21431	1.3
71.01405	2.0
80.17130	1.3
82.95386	1.5
83.05105	1.6
96.96009	20.9
99.00890	8.9
102.41858	1.4
104.02663	1.8
108.02242	1.6
116.21407	1.7
160.06151	1.7
161.02425	9.7
163.03998	2.6
166.67152	1.6
173.02437	11.3
173.56674	1.7
176.01132	2.1
177.01895	2.4
181.08739	2.3
189.01952	14.9
201.01941	6.4
202.99872	1.6
203.03453	2.2
208.32890	1.6
217.01434	100.0
229.01437	2.3
245.00912	7.0
259.02411	1.6
271.02542	1.6
275.01990	9.0
297.86386	1.6
303.01346	2.7
305.02997	3.3
315.07297	1.9
333.02551	39.5
335.04019	6.2
407.02472	1.5
536.50671	1.9
538.96484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78886	0.7
76.64929	0.7
80.02696	1.7
81.03485	1.4
83.01428	0.9
83.05023	5.9
84.02173	1.0
95.05077	0.8
163.11253	7.2
165.12868	4.3
171.10294	9.5
209.11853	100.0
211.13499	3.1
220.70110	0.8
227.12924	5.4
247.13390	1.9
250.72513	0.8
265.14343	1.0
280.86984	0.9
331.23038	1.0
338.40533	0.9
475.27304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	0.2
59.01385	53.7
73.48920	0.2
81.03448	5.1
82.96684	0.1
83.05021	17.5
92.10791	0.5
92.65958	0.2
100.07713	0.3
107.06159	0.4
108.04547	0.4
125.07184	2.8
126.05618	0.3
143.08272	0.8
144.36304	0.2
173.16856	0.2
207.15051	2.4
224.17712	3.9
225.16098	11.8
242.18753	0.9
290.22702	0.2
309.21924	0.4
324.26508	1.4
333.22968	2.9
351.24036	1.1
367.27243	1.5
386.12860	0.2
433.31900	7.0
451.32977	100.0
452.33337	1.7
511.35257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90178	2.0
54.82400	1.9
56.11403	2.0
59.01378	30.4
61.54062	1.9
70.78693	2.2
80.91438	2.3
83.01406	17.0
93.03468	4.1
95.04473	2.3
117.03466	25.7
151.07632	3.8
152.99663	3.2
155.05031	10.1
159.04514	10.7
169.08691	3.9
179.05049	19.4
199.04060	22.7
209.11816	14.9
210.12151	4.3
221.20708	2.7
223.04024	70.8
241.05080	4.3
247.04036	15.6
249.01732	3.1
262.21103	2.9
263.07089	6.2
265.05142	22.4
267.03067	41.8
291.03036	10.7
293.00800	3.2
307.06183	24.3
309.04160	11.3
335.01913	3.9
351.05219	34.9
385.07147	5.6
393.06073	12.5
429.06488	4.7
430.62433	2.8
513.00702	3.8
513.08344	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	511.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76794	0.5
57.03464	0.8
59.01389	3.5
61.98859	0.6
63.09154	0.6
71.01382	9.6
71.05363	0.5
73.02959	3.2
78.98584	6.7
79.95730	11.0
80.96516	84.9
83.01389	0.9
85.02963	3.4
87.00887	3.8
87.72423	0.7
94.98082	18.9
94.98676	1.0
96.96053	1.0
97.02983	1.6
101.02467	3.7
106.98100	3.6
122.97575	10.0
125.02452	3.6
130.08435	0.6
134.97595	6.0
136.99156	1.1
148.99173	8.3
152.98618	9.1
164.98628	13.4
182.99673	3.1
192.04726	0.6
206.99654	3.8
211.13466	5.4
225.00772	23.5
243.01855	1.4
299.04428	3.9
346.00848	0.8
511.18616	100.0
512.19031	0.8
539.68890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	2.8
58.00639	3.5
59.01387	100.0
59.03113	3.2
61.01339	3.0
61.98821	5.5
71.01382	61.9
72.99306	4.0
85.02967	19.3
89.02443	78.1
96.72412	3.9
96.96029	8.9
101.02446	17.7
101.47195	3.6
113.02468	17.4
117.55283	4.0
119.03500	21.0
121.02943	23.1
130.87125	3.1
134.03745	6.0
137.34912	3.7
149.02429	7.2
161.04552	6.5
179.05603	25.5
197.06143	4.9
209.06146	14.8
210.06744	4.6
225.05533	25.4
226.06358	54.8
237.05476	32.7
238.06345	88.2
240.07889	6.2
241.08751	23.8
253.08731	82.3
259.28574	3.7
271.09741	4.5
347.96603	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	511.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19884	2.5
55.01882	2.6
59.01382	67.6
60.62903	2.9
61.98827	5.4
71.01380	41.6
73.02927	5.2
75.97848	3.1
82.75556	3.0
83.77536	3.4
85.02966	17.0
89.02428	29.0
92.66002	4.5
95.01375	4.4
96.96053	5.3
101.02441	26.4
102.82009	3.5
103.87410	3.4
113.02467	6.6
119.03513	7.2
121.02943	5.5
122.03771	12.8
134.03735	3.9
137.02480	4.1
149.02492	46.0
149.58952	3.3
150.03224	100.0
151.94786	3.3
163.07707	7.8
164.04793	7.0
165.05565	72.6
179.05627	14.3
180.04366	5.1
181.04955	3.6
195.06563	23.9
217.08704	3.6
222.93585	3.3
224.90996	3.8
231.41438	3.1
274.08435	5.5
286.08521	13.9
289.10757	5.2
301.07849	3.6
301.10699	26.8
312.64835	3.8
329.89682	3.6
439.64432	3.7
457.17023	4.6
463.16232	71.5
511.18542	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.30958	0.9
72.99153	1.0
74.73370	0.9
85.62689	1.0
92.10079	2.3
93.43568	1.0
93.92754	1.0
128.03088	1.0
131.11319	1.1
173.48718	1.2
395.71014	1.3
408.11942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23016	1.3
54.82700	1.5
58.38905	1.3
60.26428	1.2
60.81738	1.2
82.59223	1.2
111.59424	1.7
130.08740	100.0
150.16266	1.3
160.90739	1.4
172.38454	1.3
303.70090	1.4
335.33212	14.0
448.41769	5.6
466.42532	10.5
510.41672	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.2
73.02946	1.2
75.00905	0.2
83.42441	0.1
99.00874	0.7
99.92579	9.5
109.20467	0.1
116.92857	100.0
117.01927	1.6
117.05582	0.2
117.92868	0.9
150.26170	0.1
193.54248	0.2
218.90324	0.1
354.37366	0.1
508.56805	0.2
511.10162	0.2
532.34625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2889
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
78.95896	28.8
95.93505	0.6
96.96960	1.2
126.83138	0.6
126.87566	0.6
152.98340	1.1
152.99585	34.7
160.55820	0.6
171.00629	0.9
175.70738	0.6
196.89526	9.4
217.63069	0.8
227.03207	3.5
281.24875	100.0
282.25348	0.9
313.12399	0.6
435.25516	0.9
509.28864	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65148	0.1
59.01389	0.1
61.98832	100.0
70.27909	0.1
211.13341	0.7
212.13800	0.6
213.13826	0.2
214.14217	0.1
354.60614	0.1
356.14450	0.1
383.48761	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	510.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
88.54974	0.4
91.79524	0.3
102.54947	0.3
133.02931	0.4
133.57333	0.4
160.01590	1.4
175.03979	1.9
196.22856	0.4
245.04480	0.3
443.56015	0.3
447.27420	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	509.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	0.6
61.98844	3.4
64.22318	0.6
109.02962	0.9
121.02940	5.7
121.06577	1.6
123.04530	7.6
135.04527	4.4
136.05286	2.9
145.02971	2.9
148.05328	1.1
149.06085	13.5
150.06836	0.9
151.07661	4.9
164.04797	3.4
165.05577	4.2
175.07582	0.8
177.05493	0.7
178.06287	0.8
180.04254	3.8
190.06383	0.8
191.07141	3.9
192.07863	4.8
193.08688	1.3
205.08577	0.8
206.05853	1.2
223.07745	0.6
224.06841	1.2
251.07214	2.8
252.07738	1.0
253.04947	0.7
254.05931	1.0
267.06677	1.2
268.07446	8.3
269.08221	18.6
270.08990	3.1
283.09790	7.1
284.10587	11.9
291.19693	0.7
298.12048	1.1
309.20624	2.4
316.09589	1.1
366.18112	0.7
476.18567	1.0
491.20816	100.0
492.20950	2.6
509.22247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2185
Annotation	Scutalpin J
Peak:m/z	Relative Intensity
56.69778	0.9
59.01400	0.9
65.18575	0.8
78.05043	1.0
92.10740	1.8
102.30338	1.0
109.02944	1.2
114.14405	0.9
121.02937	10.6
121.62943	0.9
122.03731	2.3
123.04523	4.8
135.04532	34.6
136.05295	1.6
145.02995	1.8
147.04604	5.0
148.05305	5.8
149.06110	6.0
151.03969	1.3
161.06099	18.7
163.04005	2.2
166.06395	1.3
167.07152	1.2
180.04343	2.0
180.07947	28.4
181.08705	11.5
190.06316	1.0
191.07204	3.9
192.07941	11.1
193.08722	20.4
194.05933	1.4
209.08195	7.1
209.11818	1.8
212.06963	2.1
251.07227	4.4
251.24196	1.0
254.05969	3.4
255.06454	1.4
267.06650	5.6
268.07382	8.1
269.08170	14.0
270.09106	1.5
283.09732	7.2
284.10577	9.4
311.12729	1.1
316.09439	1.2
327.12396	3.6
328.13168	1.3
339.12509	1.1
422.56516	1.2
479.20969	13.3
491.20563	7.8
509.21863	100.0
510.22421	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	509.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98602	0.4
59.01386	3.5
61.98824	0.4
71.01405	0.7
83.01410	0.4
85.02968	0.5
89.02462	0.4
101.02450	0.5
108.02211	0.8
116.92858	0.6
119.04992	0.6
121.02953	2.5
121.16770	0.3
122.03729	5.6
123.04525	3.6
127.05041	0.5
135.04532	1.5
136.05299	1.7
136.79208	0.3
137.02454	2.0
146.03760	0.5
149.06081	9.2
150.06786	0.7
151.07654	5.8
154.02766	0.5
163.04022	2.7
163.07590	0.5
164.04774	3.7
165.05583	2.0
175.07626	2.3
177.05547	0.6
178.06299	0.4
179.07176	0.5
180.04272	5.2
190.06351	0.6
191.07108	3.1
192.07956	4.4
193.08675	3.0
206.05934	2.5
207.06639	0.5
209.11885	0.8
218.48289	0.3
224.06960	3.0
272.10669	0.5
285.18375	0.4
287.12900	3.8
314.11691	0.5
329.13980	100.0
330.14365	1.7
347.11142	0.5
347.15051	0.6
360.85657	0.4
411.42111	0.4
491.19269	16.6
509.23788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
57.28172	1.1
58.00621	1.8
59.01385	48.1
61.98833	14.2
67.31898	0.9
69.53358	1.1
71.01381	23.0
72.99299	1.7
73.02959	1.8
77.71709	1.1
83.01417	1.9
85.02971	7.2
87.00893	2.3
87.37343	1.1
89.02454	14.9
93.85088	1.1
99.04505	1.4
101.02442	15.3
107.05011	1.9
110.71008	1.2
112.01614	1.1
113.02417	8.8
116.92804	1.6
119.03497	5.9
119.91692	1.2
121.02953	8.9
122.03729	6.9
123.04530	1.7
125.02418	1.7
134.03714	2.2
135.04517	7.6
140.07222	8.1
148.05310	2.3
149.06079	5.0
161.06090	4.9
162.06860	2.4
169.12392	1.6
180.07942	8.3
181.08717	8.6
192.07956	1.8
193.08690	7.0
197.11838	2.0
202.93317	1.3
299.12906	1.6
314.11719	1.7
317.10461	1.7
317.13974	17.5
329.13901	10.9
347.11295	2.3
347.15002	10.5
477.19748	1.6
479.13589	1.4
479.19315	11.6
491.19043	9.4
509.20346	100.0
510.20389	1.8
514.59741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58658	0.7
51.67659	0.6
54.82541	0.9
55.01883	1.2
57.03451	6.3
58.00605	0.9
59.01384	40.5
61.98837	21.2
62.58933	0.7
71.01381	17.7
72.99306	1.2
73.02938	1.9
75.00884	0.8
83.01389	1.5
84.37753	0.8
85.02953	6.6
87.00877	3.5
89.02448	14.3
95.01376	1.4
99.04514	1.6
101.02438	11.7
107.05035	1.0
108.02189	1.0
109.02933	1.1
113.02452	6.8
114.00640	0.8
116.92854	1.6
119.03484	6.9
121.02962	7.6
122.03752	5.2
123.04526	1.9
125.02451	1.0
134.03746	1.9
135.04532	6.5
136.05293	3.9
137.02483	1.4
140.07181	10.4
147.04514	1.4
148.05290	3.5
149.06050	4.8
153.84648	1.0
154.02690	0.8
161.06108	4.9
162.06918	1.6
163.07596	1.2
163.70035	0.9
165.05547	1.7
169.12317	1.4
175.07603	1.1
175.24149	0.9
179.05690	1.0
179.07063	1.6
180.07951	8.0
181.08675	10.4
191.07161	0.9
192.07866	4.4
193.08653	7.8
197.11839	2.0
209.08153	1.3
275.57242	0.9
277.14990	0.9
281.86389	1.0
296.10342	0.9
297.11261	0.9
297.93848	0.8
299.12875	1.7
305.94345	0.9
314.11502	3.4
317.13971	16.0
329.13864	10.4
343.14679	0.8
347.15057	11.6
347.60605	0.9
355.13873	1.2
371.13586	1.9
449.14407	0.9
461.18243	3.1
477.19955	1.2
479.19376	12.2
491.19263	10.0
509.20358	100.0
510.20514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2033
Annotation	Lactoside B
Peak:m/z	Relative Intensity
57.03442	1.5
58.88474	1.0
59.01380	25.0
61.98810	1.1
71.01396	2.6
76.57038	1.2
92.10211	1.8
96.96020	1.5
98.50929	1.4
101.02457	1.3
115.70995	1.1
119.04976	1.5
121.02950	6.0
121.06640	1.2
122.03761	4.8
123.04565	5.4
135.04547	1.5
137.02466	2.3
140.06299	1.3
142.37581	1.3
149.06070	10.5
151.07713	5.3
164.04750	6.0
165.05493	1.8
178.06311	1.6
180.04222	4.6
191.07173	1.7
192.07951	5.1
193.08716	5.4
221.42444	1.4
224.06865	1.7
236.31891	1.3
253.18823	1.4
270.77408	1.3
272.10239	1.2
287.13062	2.8
329.13968	100.0
341.20862	1.3
347.15054	22.0
509.19724	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	509.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40509	0.5
58.48579	0.4
59.01390	9.4
60.41639	0.5
60.93617	0.5
71.01387	7.5
72.99315	0.6
73.69868	0.6
78.95898	1.0
82.64949	0.5
83.01373	0.8
85.02980	1.3
85.35909	0.5
87.00890	2.3
88.98817	1.3
89.02425	4.5
93.03454	0.6
96.96016	6.5
96.96954	1.3
101.02441	3.2
113.02473	2.5
115.00378	1.1
119.03432	0.8
121.02970	0.9
122.03732	5.8
133.01453	5.1
133.05052	1.0
145.02974	1.0
149.02415	2.2
150.03230	64.9
153.05588	2.9
154.15073	0.6
161.02505	0.9
161.04550	0.8
162.03267	0.9
165.05569	100.0
169.38087	0.6
170.26912	0.6
174.76756	0.6
176.88585	0.6
213.07678	5.4
223.47246	0.6
232.60895	0.6
256.98932	0.6
304.11124	0.6
306.96573	0.6
318.95001	0.6
357.11960	1.1
386.24902	0.7
402.07797	0.6
449.16714	19.7
459.86328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2033
Annotation	Lactoside B
Peak:m/z	Relative Intensity
54.83050	0.4
57.86640	0.3
58.56139	0.4
59.01393	1.6
61.98835	0.5
64.29704	0.4
71.01392	0.7
72.77346	0.4
86.61266	0.4
92.49103	0.4
108.02223	2.3
116.92828	0.8
121.02972	4.1
121.06541	0.4
122.03754	7.5
123.04534	4.3
123.99739	0.4
125.06086	0.4
133.06670	0.5
134.03770	2.7
135.03493	0.9
135.04533	25.1
136.05325	3.5
137.02443	0.5
142.87123	0.4
147.04559	2.6
148.05333	1.8
149.06075	4.9
151.04012	0.9
153.51007	0.4
154.02686	0.5
161.06094	12.2
162.06834	0.5
163.03970	3.1
164.04858	0.6
166.06389	1.9
167.07170	1.8
168.04300	0.7
177.05569	0.5
179.03568	0.6
179.07184	0.9
180.07933	49.7
181.08710	15.9
182.05881	2.5
190.06378	1.9
191.07124	2.1
192.07961	10.5
193.08722	14.4
194.05878	5.4
195.06549	3.4
195.10393	0.4
209.08200	7.6
210.08972	0.6
211.09831	0.7
212.06987	5.1
269.08200	0.6
283.09723	2.3
285.11453	1.6
297.11411	2.1
298.68652	0.5
299.09399	0.7
313.10962	2.0
314.11642	7.2
317.13974	45.8
318.14453	0.6
329.10983	0.5
329.13998	23.3
347.15042	100.0
348.15283	1.8
470.30530	0.5
471.69165	0.4
508.23425	0.4
509.20309	34.2
510.20065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88275	0.3
59.01394	0.6
60.02896	0.3
63.89935	0.3
67.51627	0.3
69.70838	0.3
69.95936	0.3
72.35544	0.3
75.68919	0.3
78.95905	0.6
91.03985	0.3
93.03442	0.3
100.78896	0.3
101.47810	0.3
102.00032	0.3
113.49125	0.3
117.03447	1.8
121.02981	0.7
132.02150	0.4
133.02951	29.1
134.03749	8.0
135.04524	18.1
135.32289	0.4
137.02444	5.2
139.03998	0.6
150.03256	0.5
152.99593	1.3
160.15321	0.4
161.02448	100.0
162.02837	0.5
178.02594	0.4
179.03523	5.1
181.64943	0.4
196.89490	0.7
229.45363	0.4
235.06126	0.6
271.22839	8.2
279.23294	0.7
281.24847	2.0
282.25186	2.0
347.25922	7.8
371.25833	0.6
415.24945	37.6
416.25275	0.4
433.26047	9.2
507.29657	53.0
508.30243	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	2.1
65.57065	0.9
74.83553	0.9
74.91893	0.9
78.04957	0.9
78.60847	0.9
81.71770	1.0
92.59979	1.1
117.03473	20.6
119.05037	19.3
121.02928	5.1
126.95979	1.1
135.44742	1.2
145.02960	100.0
163.03964	10.7
163.33897	1.0
287.22281	7.0
347.25867	4.8
415.24884	12.5
433.26157	11.1
507.29733	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78572	0.2
59.01387	1.1
59.27387	0.2
59.89081	0.2
68.29372	0.3
74.57995	0.3
78.95891	3.0
104.35462	0.3
113.90836	0.3
117.03428	2.0
121.02971	0.4
123.04585	0.4
132.02191	0.3
133.02953	28.3
134.03752	7.4
135.04529	18.4
137.02441	3.9
139.03990	0.6
148.05304	0.4
150.03174	0.4
152.99585	4.9
160.01653	0.3
161.02449	100.0
172.96594	0.3
176.28705	0.3
179.03487	5.3
227.03278	0.5
235.06107	0.4
271.22809	9.5
279.23334	11.0
289.14307	0.3
347.25909	7.5
353.88638	0.3
371.25940	0.4
415.24960	35.9
416.25229	0.4
433.26031	9.2
452.45618	0.3
487.11926	0.3
493.22354	0.3
504.89645	0.3
507.29684	50.3
508.29910	1.0
513.15881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25856	0.4
54.83511	0.4
59.84253	0.4
63.28136	0.4
65.34317	0.4
73.52512	0.4
78.95900	24.0
83.89613	0.4
94.10215	0.4
96.96982	2.4
109.63905	0.5
152.99588	35.8
171.00648	0.9
193.94334	0.4
195.25952	0.5
216.84242	0.5
227.03242	3.4
245.04451	0.9
279.23312	100.0
280.23511	0.7
329.08957	0.5
364.12326	0.5
507.27332	47.4
508.27512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	23.4
88.69099	0.4
96.96951	1.9
135.01526	0.4
152.99590	33.6
171.00691	1.0
227.03320	2.9
245.04300	0.8
245.56712	0.4
279.23291	100.0
280.23685	1.8
507.27313	48.0
508.27692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78590	0.2
55.01873	0.3
55.50699	0.2
55.68283	0.2
59.01384	11.8
61.98830	0.3
62.77914	0.2
66.15928	0.2
69.03458	0.3
71.01376	1.9
73.02958	0.4
74.09391	0.2
78.95911	0.5
83.01402	0.3
85.02937	0.4
87.00847	0.3
89.02456	1.5
99.00879	0.3
101.02441	4.0
113.02476	1.1
119.03496	0.6
121.02901	0.3
124.01645	0.3
137.49934	0.3
138.01158	0.2
152.99657	0.4
161.04581	1.5
167.10852	0.3
167.14401	1.1
179.05493	0.3
183.13893	9.6
187.42177	0.3
193.12323	1.9
211.13425	100.0
212.13719	0.4
235.08183	0.4
253.09320	9.7
275.62683	0.3
447.22360	5.3
477.19116	0.4
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
55.01893	0.2
57.85811	0.1
58.56571	0.1
59.01382	13.4
59.93257	0.1
60.71910	0.1
61.98845	0.2
69.03453	0.3
71.01374	2.3
72.99303	0.1
73.02956	0.6
83.01387	0.3
83.05020	0.1
85.02525	0.1
85.02940	1.0
87.00877	0.2
89.02439	2.9
91.03954	0.2
92.10835	0.1
95.01354	0.2
99.00871	0.1
99.04491	0.1
101.02440	3.6
113.02454	1.6
119.03471	0.8
126.27258	0.1
130.41234	0.1
155.10768	0.1
161.04573	1.3
165.12828	0.2
167.10754	0.5
167.14413	0.7
173.60437	0.1
179.05603	0.3
180.92331	0.1
181.12253	0.1
181.43756	0.1
183.13896	8.8
193.12337	2.4
211.13416	100.0
212.13747	0.5
235.08276	0.2
253.09296	9.9
329.37778	0.1
345.16479	0.2
447.22354	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	507.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40833	1.3
57.03447	1.9
59.01388	17.5
60.50278	1.4
61.98839	5.9
64.06902	1.5
64.07274	1.2
71.01400	5.9
75.03637	1.6
76.99883	1.7
77.47378	1.6
85.02974	2.6
88.98801	1.7
89.02441	3.6
96.96025	1.8
99.15126	1.5
101.02455	2.2
116.92841	7.2
119.05022	7.4
135.04564	1.7
136.07689	12.3
138.93977	1.2
151.00365	2.3
160.05351	1.7
161.06099	3.3
162.05652	2.5
163.00368	2.2
185.10876	7.5
188.11971	2.2
189.99103	5.8
191.07129	2.4
197.10875	6.3
198.11761	2.1
213.13985	35.3
214.09885	9.2
214.13486	13.1
226.09950	1.7
228.11452	5.7
237.10368	2.5
238.09927	2.6
239.11900	59.3
240.11447	51.6
253.12358	1.8
254.12993	12.5
256.14642	14.5
257.12958	1.8
264.11539	1.9
271.06113	2.2
280.10925	22.9
282.12506	100.0
298.11975	3.3
300.13596	17.8
309.04077	3.0
312.10416	2.1
315.12357	2.9
326.11490	49.4
327.12347	12.5
344.12576	56.0
465.84778	1.9
491.48328	1.7
507.18845	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	507.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.2
59.01125	2.2
59.01376	16.0
61.98841	6.4
70.82034	1.4
71.01391	8.2
87.00867	1.7
89.02450	3.3
96.95995	1.9
101.02438	3.2
103.48285	1.5
116.92878	2.7
119.05017	6.3
121.02977	2.5
132.04634	1.3
136.07697	9.3
137.02420	3.1
150.03206	2.3
160.05244	2.4
161.06093	11.2
163.04041	1.8
173.06038	1.8
185.10817	9.5
197.10837	6.9
213.14017	30.2
214.09932	10.2
214.13490	12.9
221.10951	2.1
228.11516	5.0
239.11951	46.1
240.11455	42.2
247.24612	1.7
252.07602	1.8
254.12965	8.9
256.14554	13.2
264.11429	5.1
267.10196	2.3
270.09039	2.3
280.10944	18.9
282.12497	100.0
283.10794	1.7
298.12082	2.3
300.13556	22.7
309.03870	1.8
312.09988	2.2
315.12427	15.0
326.11523	38.3
327.12674	12.1
344.12546	56.3
345.13538	2.4
477.17593	1.8
507.18817	28.9
532.91223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40707	0.3
59.01387	6.9
61.98839	0.7
64.88527	0.4
71.01382	2.9
72.99320	0.6
80.84812	0.4
85.02943	0.5
88.80468	0.5
89.02439	1.0
91.85271	0.4
92.10743	0.7
92.66470	0.4
94.02990	0.6
95.03764	1.9
96.04532	0.5
96.08200	0.7
96.84409	0.4
101.02441	0.6
104.05033	0.6
106.06618	4.1
113.02437	0.6
116.92895	0.6
117.09211	0.4
119.86448	0.4
122.06113	4.1
124.07675	9.6
132.04552	41.5
133.05341	24.9
134.06136	9.1
138.05580	0.8
146.02504	0.4
148.04062	2.3
150.05626	2.7
162.05519	0.5
165.04321	25.1
176.03514	2.4
176.07150	1.9
177.04320	4.5
178.05125	3.0
185.08504	0.6
186.09245	3.5
187.08719	0.8
198.09213	0.8
209.03329	7.2
213.06679	2.7
214.12395	7.0
215.11925	8.8
226.07523	0.9
227.08263	0.8
229.09859	3.7
239.08163	0.6
240.10223	2.7
241.09808	5.2
255.11443	1.6
257.12970	28.1
272.08069	0.6
283.10892	12.5
301.08502	0.6
301.11966	15.4
317.33463	0.5
327.10031	1.8
345.10965	100.0
346.11346	0.9
387.12027	1.0
507.16254	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	507.1873
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
55.01880	1.2
56.70284	0.4
57.03446	0.8
58.00599	0.6
59.01385	22.3
59.73819	0.4
66.72481	0.4
71.01383	11.3
71.78456	0.4
73.02941	1.9
76.92376	0.5
81.32033	0.4
83.01396	2.4
83.15024	0.5
85.02962	3.7
87.00869	1.1
89.02432	6.4
93.03428	0.6
95.01370	0.8
99.00834	0.6
101.02437	6.2
111.00906	1.7
113.02451	2.1
119.03485	0.7
119.05030	1.8
126.70963	0.5
129.69942	0.5
134.03676	0.5
135.04506	11.0
141.25722	0.5
147.04463	0.7
148.05301	3.0
149.06125	4.1
161.06082	2.9
162.06888	2.7
167.07155	0.6
180.07910	11.8
181.08694	0.5
193.08669	2.2
200.06075	0.5
212.06804	0.5
250.09015	0.4
267.10312	1.0
284.10599	0.7
297.11288	3.4
299.12900	2.2
302.64056	0.5
309.11407	1.0
315.12421	33.3
322.47037	0.6
327.12357	11.2
345.13434	10.9
357.13480	1.0
389.49219	0.5
459.16687	0.7
477.17657	20.6
478.27765	0.5
489.17722	12.0
507.18744	100.0
508.18994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65414	1.1
57.03440	1.4
59.01383	26.2
61.98833	4.7
71.01393	5.6
73.02936	5.5
85.02978	1.2
88.45615	1.0
88.98806	1.3
89.02452	2.3
96.96008	1.5
101.02438	2.6
105.16117	1.4
106.04234	1.2
108.02135	1.6
109.02977	1.4
113.02466	1.9
116.92846	5.9
119.05013	4.6
121.02939	21.6
122.03749	6.3
123.04545	7.8
133.02977	1.3
134.03676	1.7
135.04538	4.8
136.41061	1.3
137.02513	1.4
145.02954	1.4
146.03798	1.5
149.06068	7.8
153.01913	1.3
181.06754	1.2
185.06070	1.1
195.04465	2.0
197.06085	6.2
209.06142	2.6
209.07999	1.3
211.07539	1.7
212.04776	5.2
213.05560	11.1
223.04022	2.4
224.04761	4.9
225.05560	19.1
227.07175	2.0
229.08684	1.7
237.05562	5.6
238.06367	1.5
239.07254	2.7
240.04372	10.5
240.07884	1.9
241.05072	36.4
241.08740	35.3
243.46791	1.2
251.07074	1.5
253.05096	23.2
253.08694	7.7
255.06598	6.8
255.10269	1.8
256.07434	20.4
259.06216	2.1
268.03595	1.4
268.07266	4.5
269.04608	12.5
271.06329	4.5
271.09735	15.6
273.07932	1.5
281.04617	5.0
282.05240	1.5
283.06589	2.0
283.09641	10.7
284.06870	5.9
285.04190	4.7
287.05313	1.5
295.09680	5.6
296.06940	10.2
297.04092	42.7
297.07471	2.6
299.05536	5.3
300.06393	19.6
311.05551	8.0
312.06436	29.4
312.09900	1.7
313.10916	2.7
314.07886	4.0
315.08813	76.2
315.12265	5.0
327.05829	3.7
327.08795	100.0
327.12335	8.1
345.13507	57.0
477.18048	2.3
489.17609	1.4
503.37155	1.5
507.19836	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
71.01384	2.7
83.01422	0.3
85.02939	0.6
89.02446	0.7
92.10136	0.5
94.06593	0.3
95.03758	1.3
96.04552	0.4
96.08167	0.7
101.02448	0.5
104.05058	0.6
104.13023	0.3
106.06625	3.5
107.04904	0.4
108.04572	0.4
111.63049	0.3
112.04005	0.4
116.92844	0.7
121.02930	0.6
122.02540	0.4
122.06133	3.2
123.94353	0.4
123.95206	0.4
124.07671	8.9
132.04550	38.7
133.05330	25.4
134.06116	6.9
138.05627	0.6
148.04077	1.9
150.05609	1.9
151.00343	0.3
158.06273	0.4
165.04312	21.0
171.81699	0.4
176.03516	1.4
176.07190	0.8
177.04309	5.1
178.05104	2.4
184.07683	0.7
185.08492	0.6
186.09244	4.2
198.09346	0.6
205.29410	0.4
209.03334	6.4
213.06689	1.9
214.12437	6.3
215.11891	8.4
226.07465	0.8
227.08244	1.4
229.09782	5.4
240.08658	0.5
240.10312	1.8
241.09808	4.4
255.11368	1.4
257.12973	29.4
268.08655	0.4
272.08105	0.4
283.10892	14.3
301.11984	14.0
327.09750	1.4
345.10953	100.0
346.11252	1.9
397.76855	0.4
425.39798	0.4
507.16324	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	505.2219
Annotation	Macaranone A
Peak:m/z	Relative Intensity
55.89896	2.2
59.01396	10.8
61.98833	3.0
66.49210	2.4
71.01372	3.0
74.20850	2.1
75.66923	2.4
80.72576	2.6
88.60307	2.8
89.02423	3.4
96.82697	2.5
101.22094	2.8
111.00938	2.4
119.05030	3.4
121.02930	11.1
151.00490	3.2
154.59285	2.5
179.01492	2.8
179.05579	5.3
284.10690	3.2
289.18109	13.8
299.12903	13.5
350.44659	3.1
505.22198	100.0
514.35126	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	505.2578
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.85019	0.5
57.92855	0.5
59.01384	2.5
69.10448	0.6
78.95898	30.4
96.96934	2.9
111.24688	0.6
150.97945	0.7
152.99586	55.4
171.00621	1.4
183.95560	0.6
187.08495	0.6
227.03218	4.6
235.12506	0.7
245.04277	1.0
259.20663	0.9
277.21738	100.0
465.19467	0.7
505.25769	57.8
506.26114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71008	0.7
61.98839	100.0
63.46746	0.8
76.29921	0.8
82.04019	0.9
112.28312	0.8
125.05310	0.8
127.25254	0.8
128.40701	0.8
154.98300	0.9
158.75085	1.0
161.90727	0.9
260.38205	1.0
441.19662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.7
61.98843	2.3
71.01376	4.7
76.57230	1.1
83.01401	1.3
91.59263	1.3
98.62694	1.1
101.02453	1.9
103.17368	1.1
119.05061	4.1
121.02959	2.0
137.02426	1.5
150.03258	1.6
151.00362	2.6
159.04460	2.4
163.07654	6.4
165.12941	1.6
173.06076	2.4
174.06863	98.4
175.07654	46.4
177.05579	51.0
189.09261	5.4
191.07158	16.1
192.08028	1.2
209.11844	12.1
224.06876	2.0
271.06088	1.7
282.09006	2.4
297.11331	5.2
313.14679	1.5
320.80981	1.2
328.13202	5.0
343.15530	100.0
349.84802	1.3
403.52643	1.2
411.81064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29473	5.5
59.01399	26.2
59.02691	5.6
63.82027	6.0
75.00887	34.1
75.70933	6.0
75.92820	6.5
78.95908	15.3
99.00873	8.3
115.00379	9.4
121.02872	6.8
135.03004	36.8
142.99876	10.7
152.99580	35.2
171.66109	7.3
173.00963	9.0
174.01701	100.0
177.46397	8.7
242.17651	34.1
274.92340	7.8
279.23544	8.2
295.22784	14.4
307.22729	16.5
319.22699	9.6
329.21378	13.4
333.20831	46.6
335.22363	9.4
347.22202	60.5
351.21790	47.6
373.20239	35.0
391.21143	12.6
403.21606	13.1
409.22397	12.3
433.22287	39.7
451.23090	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
59.01385	7.2
61.98838	1.8
71.01392	1.3
73.17822	0.7
83.01380	1.1
86.41728	0.7
107.01411	1.4
119.05012	1.9
121.02982	3.9
134.03743	13.0
135.04539	1.2
136.05307	1.2
151.00375	4.5
151.04031	6.9
153.02023	1.6
162.03204	4.4
163.07582	1.0
168.04253	1.0
173.06061	9.2
174.06847	3.9
179.03528	7.7
180.04276	4.1
191.03519	1.2
191.07138	4.9
192.07947	4.7
193.05092	11.7
205.05118	6.5
206.05806	5.4
207.06633	1.2
209.04372	0.8
209.11761	1.1
224.06903	16.1
249.52277	1.1
261.45288	0.9
271.06158	5.7
272.06354	1.6
280.07336	1.7
295.09833	3.2
297.95193	0.9
305.17526	1.0
313.10843	1.2
328.13272	2.0
343.11920	9.1
343.15543	100.0
344.16055	1.4
434.12061	1.0
505.17493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01404	1.0
71.01380	0.8
92.10780	1.7
109.02963	3.1
123.04568	0.9
134.03748	3.4
136.01662	83.0
137.02455	10.3
137.40955	0.7
148.05290	2.8
149.06065	5.1
151.04016	100.0
160.05350	5.3
161.04683	0.7
161.06087	0.7
163.07664	1.8
165.05603	1.0
175.07658	12.2
176.08420	4.6
186.06963	0.8
187.07741	0.8
191.10909	0.8
216.72348	0.7
280.07428	1.4
295.09760	6.4
310.12271	7.5
325.14465	7.2
328.13248	1.7
343.15570	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
65.54465	0.4
71.01394	0.9
73.02951	0.8
75.56208	0.4
78.95928	0.5
83.01415	0.7
85.02945	1.0
92.10770	1.0
95.01385	0.7
101.02422	0.6
108.02160	1.2
109.02949	7.6
111.00889	2.4
113.02465	0.5
119.04988	0.6
123.00887	11.3
123.04449	0.7
124.01651	9.5
125.68458	0.5
129.00917	0.5
134.03731	1.0
136.01660	49.2
137.02444	8.0
146.03749	0.6
147.04466	0.7
148.05334	2.2
149.06108	5.7
151.04018	55.4
152.99518	0.7
160.05247	0.9
161.04617	0.6
161.06006	0.9
163.04045	0.7
163.07655	2.7
164.04800	2.2
165.05566	14.4
172.34792	0.5
173.06052	0.7
175.07637	8.0
176.08405	3.2
177.05560	0.6
177.09087	0.5
179.07091	0.7
191.07115	6.0
191.10748	0.7
203.07175	1.9
232.67871	0.5
233.26802	0.5
234.08835	0.5
257.37628	0.5
280.07495	0.8
295.09894	3.8
310.12149	4.6
313.10883	1.9
325.14462	4.3
328.13232	18.1
343.15540	100.0
344.15738	1.0
417.22906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
59.01385	7.2
61.98838	1.8
71.01392	1.3
73.17822	0.7
83.01380	1.1
86.41728	0.7
107.01411	1.4
119.05012	1.9
121.02982	3.9
134.03743	13.0
135.04539	1.2
136.05307	1.2
151.00375	4.5
151.04031	6.9
153.02023	1.6
162.03204	4.4
163.07582	1.0
168.04253	1.0
173.06061	9.2
174.06847	3.9
179.03528	7.7
180.04276	4.1
191.03519	1.2
191.07138	4.9
192.07947	4.7
193.05092	11.7
205.05118	6.5
206.05806	5.4
207.06633	1.2
209.04372	0.8
209.11761	1.1
224.06903	16.1
249.52277	1.1
261.45288	0.9
271.06158	5.7
272.06354	1.6
280.07336	1.7
295.09833	3.2
297.95193	0.9
305.17526	1.0
313.10843	1.2
328.13272	2.0
343.11920	9.1
343.15543	100.0
344.16055	1.4
434.12061	1.0
505.17493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20562	0.7
56.54332	0.6
56.92978	0.7
59.01378	7.6
61.26555	0.7
63.11792	0.9
71.01377	1.4
78.44371	0.9
92.10120	0.9
97.44070	0.8
101.02428	0.9
110.61608	0.8
113.63380	1.2
119.05083	1.3
121.02975	1.4
136.01628	1.0
140.03387	1.0
149.05984	1.0
150.03233	1.0
151.00375	1.5
159.04503	2.0
162.06866	1.6
163.03992	1.8
163.07645	4.6
173.06131	3.5
174.06857	87.8
175.07643	44.7
177.05580	52.6
188.39903	1.0
189.09311	6.8
191.07140	12.7
192.07907	1.7
209.11876	8.3
224.06885	3.5
257.31223	1.0
282.09082	3.0
297.11270	5.7
299.12766	1.0
313.14456	4.1
328.13242	3.9
343.15524	100.0
344.15826	1.1
382.68118	0.9
505.21295	1.8
512.20422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.0
59.01381	8.8
60.99308	15.1
61.98846	3.4
71.01398	2.4
81.16061	0.5
83.05042	0.7
85.02955	0.7
87.00887	1.0
88.00408	1.0
88.98799	100.0
89.02425	9.2
96.95997	2.3
99.92608	1.1
101.02434	0.8
116.92860	14.7
120.44353	0.5
121.02932	0.8
123.04592	1.1
136.10609	0.5
161.04558	1.2
180.67146	0.5
445.20703	1.0
469.34177	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	505.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
57.03461	4.2
59.01383	13.2
67.21426	0.9
69.51917	1.1
71.01385	18.9
73.02949	10.1
78.95929	0.9
83.01410	1.6
85.02958	8.3
89.02479	5.7
95.01402	1.8
96.96021	7.3
99.00873	19.4
99.04465	1.0
101.02440	10.9
111.00889	15.1
113.02465	8.3
121.02985	3.7
122.03739	16.0
123.04494	1.6
124.39774	1.1
125.02434	1.3
131.03485	1.0
134.03738	35.2
136.01694	1.9
137.02458	1.5
137.06081	2.3
143.03481	1.2
146.25647	1.0
149.06091	29.5
152.04800	100.0
153.05557	4.4
161.04558	12.1
163.06189	1.2
167.07140	97.6
173.00894	1.5
184.09349	1.2
191.05579	1.4
202.12320	1.2
304.81842	1.1
307.10376	4.3
431.15500	6.8
443.15793	8.6
461.16748	37.7
475.14676	5.1
505.15704	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	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78042	0.7
52.36208	0.7
57.03454	3.6
58.00601	3.6
59.01383	100.0
71.01379	50.8
72.99310	3.6
73.02952	1.7
74.51913	0.6
83.01413	1.7
85.02953	9.5
87.00879	1.8
89.02441	68.2
95.01389	3.5
96.95998	1.5
101.02435	24.9
103.04093	0.8
106.06633	1.3
113.02451	17.9
114.13580	0.7
114.93403	1.7
116.92885	8.5
117.92867	0.7
119.03500	20.8
125.02454	0.9
131.03522	2.9
143.03496	4.7
149.04520	0.7
149.06105	1.6
150.05597	0.9
161.04587	6.7
163.06154	1.1
167.10648	0.7
172.60815	0.8
173.22400	0.8
179.05626	26.4
193.88747	0.7
204.84537	0.7
233.15485	7.3
413.21820	4.1
503.30200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36596	0.6
58.56681	0.7
59.01387	1.0
62.53732	0.6
63.91204	0.7
63.91962	0.8
76.94337	0.7
78.95895	3.4
88.91481	0.7
100.64412	0.7
112.16605	0.7
121.02948	100.0
140.95438	0.7
152.99571	4.4
158.13394	0.8
171.57829	0.8
177.69801	0.8
181.06558	4.5
197.06073	4.4
207.04584	1.3
225.05568	3.2
240.88710	0.9
277.21686	8.8
311.22256	3.1
313.07178	5.6
317.37277	1.0
417.09885	7.7
451.15955	0.8
505.11386	7.3
505.25635	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	503.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	3.7
58.00601	2.2
59.01384	100.0
60.61419	0.8
61.98837	3.8
71.01379	53.0
72.36872	0.8
72.99313	4.5
73.02959	1.3
75.00876	1.1
83.01393	1.4
85.02947	11.8
87.00881	1.6
89.02435	60.6
89.85006	0.8
92.10847	1.0
95.01389	2.1
96.96011	2.2
100.07309	0.8
100.49550	1.0
101.02433	23.5
113.02448	18.3
114.93400	3.4
116.92845	23.6
119.03484	21.3
123.04544	1.3
143.03488	1.8
149.04607	1.2
154.72659	1.0
161.04546	6.7
175.14871	1.1
179.05615	23.9
179.07169	1.3
179.10788	6.8
182.89236	1.0
194.02206	1.3
194.86348	1.0
233.15402	4.9
413.21970	4.0
527.27393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07972	8.4
62.22578	9.4
62.93262	8.6
65.98754	8.3
104.88589	8.4
116.92861	100.0
174.01706	14.6
174.30428	9.7
225.67117	9.3
334.00879	9.9
344.55560	12.4
392.32864	11.3
526.88861	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	503.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14368	1.2
54.82612	1.6
55.01912	1.5
56.57676	1.1
57.03461	1.6
58.00600	2.2
59.01383	100.0
60.41936	1.1
61.98829	1.6
64.44843	1.2
68.99577	1.3
71.01378	49.3
72.99324	1.7
73.02949	1.4
75.00858	1.7
78.64167	1.2
85.02945	11.1
88.98814	1.4
89.02436	61.2
96.96003	9.8
101.02429	23.9
102.85355	1.2
104.00311	1.4
106.06641	6.9
113.02448	17.8
114.93400	5.5
116.92841	17.1
119.03494	21.9
119.79683	1.3
123.04546	2.1
131.03529	2.8
133.58217	1.4
137.02411	1.5
143.03468	3.3
149.04568	1.5
150.05635	3.3
161.04597	7.5
179.05618	25.8
233.15546	6.0
266.06812	1.4
356.09637	1.7
413.21906	5.3
446.27121	1.7
449.31467	1.4
467.32571	5.4
503.30151	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	503.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20082	0.8
54.83089	0.9
57.03450	6.0
59.01382	30.0
63.16427	1.0
71.01386	5.6
78.58479	1.0
82.68422	0.9
83.05029	7.3
85.02975	2.0
85.53735	1.1
87.00885	7.6
87.86160	1.2
89.02431	1.9
92.10081	2.1
95.05027	1.2
96.96005	36.6
96.96947	1.9
97.06593	1.7
101.02431	1.8
107.05030	6.2
111.04512	1.4
111.08154	1.6
113.02455	5.1
116.92825	1.3
119.03449	1.3
119.05015	1.2
121.06598	1.8
123.08153	13.1
125.06073	9.1
125.09710	1.1
135.04503	5.6
136.01642	2.8
137.09708	2.3
138.06760	1.1
139.07625	1.6
145.10242	1.6
151.03989	2.0
151.07722	1.3
153.05611	1.7
153.09195	1.8
161.02478	1.5
164.04518	1.1
165.99635	1.1
169.10117	1.3
171.11803	15.5
179.03439	2.2
181.38481	1.0
188.92564	1.0
189.12895	9.0
201.12885	4.8
204.04417	1.3
207.13843	4.8
219.13936	2.0
234.61615	1.1
237.14980	21.1
251.05629	1.5
261.15002	1.7
280.37735	1.2
281.13953	100.0
295.15515	4.5
301.27826	1.2
305.13983	8.5
323.14978	7.8
427.71014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34343	5.6
71.37102	5.5
72.99359	6.3
75.00928	5.8
75.30077	6.6
79.32439	5.1
79.35547	5.0
90.80566	5.7
92.10179	16.0
94.61057	5.5
99.00880	6.3
112.98859	8.9
114.38746	6.4
115.00368	6.8
116.92853	21.9
118.92756	5.2
125.18201	5.2
128.20842	5.4
130.16441	5.3
142.99870	26.1
149.06104	11.1
156.00630	11.8
159.35550	5.4
173.00963	13.0
174.01675	100.0
175.02412	6.2
193.25319	5.9
273.90405	5.9
293.21198	13.2
349.19879	8.9
402.74692	7.8
433.58923	6.2
449.21713	9.8
454.82010	6.5
459.26480	6.7
467.22839	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	503.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
58.70982	1.5
59.01385	100.0
71.01381	37.1
72.99339	1.7
73.02945	3.0
83.05051	2.5
85.02936	12.3
87.00884	4.1
89.02441	49.9
94.33343	1.9
95.01422	1.8
96.96008	39.9
96.96959	2.0
98.95588	3.1
99.09090	1.8
101.02449	20.7
107.05086	1.9
113.02451	17.0
119.03486	21.0
123.08179	3.0
125.06084	3.9
135.04512	3.9
143.03528	3.5
161.04527	3.6
171.11827	8.9
175.74709	1.8
178.74301	1.7
179.03485	6.7
179.05640	31.5
179.07072	2.8
201.12863	2.4
237.15030	11.0
251.05579	2.9
281.10770	2.2
281.13962	49.3
305.13980	2.5
323.14902	2.7
379.07211	1.9
418.06329	2.5
505.48862	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	503.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30701	4.9
56.95320	5.2
59.01400	14.6
60.93495	5.4
61.98845	4.8
71.01407	10.4
72.99335	7.1
75.00871	70.8
87.00891	9.6
87.78041	6.4
96.93233	6.2
97.27121	5.7
99.00895	14.5
104.82331	5.6
107.80338	6.6
112.98829	6.1
115.00352	11.4
135.02997	94.1
135.04541	8.4
142.99879	14.0
147.04575	8.2
161.06044	12.0
165.12930	14.1
174.01688	53.5
175.07622	9.5
203.03494	9.8
236.03270	7.0
250.37589	6.4
277.21896	13.2
287.19928	6.6
293.21201	29.1
305.21179	27.9
317.21222	12.2
327.19720	13.6
331.19171	100.0
332.12851	7.2
345.20749	74.3
349.20236	41.8
361.20282	8.5
369.20807	7.9
371.18576	90.5
387.21820	7.3
389.19797	32.6
395.18628	9.5
401.19809	31.3
407.20703	8.0
413.19778	38.4
431.20786	62.9
449.21756	46.2
467.23322	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	503.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21430	1.5
57.03455	44.6
59.01386	13.4
68.29840	1.3
71.01397	3.0
74.81817	1.3
74.88949	1.4
85.02956	1.2
87.00875	3.4
89.02443	2.9
96.96004	50.4
98.95618	3.1
99.04512	18.2
101.02460	11.1
103.04622	1.3
113.02518	1.6
116.92844	2.3
122.03729	24.4
124.01627	2.0
125.02441	13.6
136.01672	2.4
137.02425	2.3
177.71687	1.4
178.27371	1.5
182.05859	72.5
197.08212	100.0
203.10677	1.8
209.91539	1.7
221.11964	1.6
221.76991	1.5
243.42979	1.4
345.02643	6.2
503.17490	3.0
504.17871	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	502.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28190	0.5
59.01376	1.1
61.98846	1.8
71.01351	0.7
79.95744	2.2
92.10204	0.5
96.96004	100.0
101.02435	0.4
109.29216	0.5
128.03548	0.7
143.04561	2.0
157.97638	1.1
158.26448	0.6
183.99309	4.7
192.99344	0.6
199.97011	2.1
208.98734	1.2
216.99278	0.5
225.01941	0.7
230.31944	0.6
241.01332	2.6
266.99188	0.7
280.02502	0.8
292.02448	0.6
298.03613	4.8
306.07477	1.0
310.03647	4.0
344.02481	9.1
433.49707	0.6
502.17123	0.6
513.66833	0.6
522.61652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2945
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
50.61386	1.4
53.43281	1.5
56.48575	1.6
59.01373	1.7
61.98832	100.0
66.10035	1.9
71.52419	1.7
78.95904	21.3
82.96975	1.8
108.15491	1.8
122.00179	2.0
132.53825	1.8
140.01210	2.7
161.33675	2.0
196.03802	8.9
205.83694	2.1
305.24899	65.2
324.75259	2.0
502.29477	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	503.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26762	0.2
54.19421	0.2
57.03442	0.3
57.71310	0.2
59.01387	1.4
64.14629	0.2
64.29666	0.2
71.01388	0.4
73.02946	1.3
89.02473	0.3
92.10046	0.3
93.37328	0.2
99.00850	0.3
99.92583	7.3
101.02448	0.2
107.04259	0.2
113.02451	0.4
114.93415	0.2
116.92856	100.0
117.01941	2.3
117.05562	0.2
117.92859	0.5
123.03374	0.2
139.90143	0.2
144.85751	0.2
147.59940	0.2
188.28461	0.2
229.56937	0.2
366.74396	0.2
374.20718	0.2
377.63263	0.2
390.16055	0.3
479.28937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
70.94123	0.2
71.01380	0.4
73.02943	1.0
84.62433	0.2
88.96515	0.2
89.02465	0.2
96.96001	0.3
99.92577	9.0
105.13101	0.2
113.02442	0.3
116.92861	100.0
117.01947	1.1
117.92879	0.9
203.14871	0.2
217.84471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.3
59.01384	5.6
60.99271	0.2
61.98839	0.4
62.68639	0.3
63.70595	0.3
71.01391	2.3
73.02953	1.7
85.02966	0.4
86.20914	0.3
87.00879	1.6
88.44701	0.3
89.02458	1.9
96.03450	0.4
96.96002	0.4
99.00886	0.5
99.04520	1.5
99.92580	7.7
101.02457	1.8
113.02428	0.5
114.93396	1.7
116.92859	100.0
116.97262	0.6
117.01930	2.1
117.92831	0.7
119.03539	0.4
125.02396	0.4
127.45596	0.3
137.02455	0.4
139.62271	0.3
146.03751	1.2
149.94611	0.3
152.30891	0.2
161.04547	0.4
163.04004	1.8
163.06158	0.3
164.04794	4.9
179.07115	6.7
196.51472	0.3
246.15442	0.3
262.50116	0.3
519.30933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21506	3.4
59.01389	24.2
69.62042	4.3
71.01408	4.4
74.23022	3.7
80.78004	4.2
111.48447	4.6
119.05062	6.2
133.86758	4.7
136.89365	4.8
143.84637	3.8
151.00331	5.9
171.04617	5.4
172.05444	4.8
182.94186	4.9
185.05994	4.7
186.03206	6.5
187.07681	6.7
199.04030	23.1
200.04749	9.2
201.05661	15.0
209.11852	7.7
213.05569	15.9
215.03493	7.0
223.03871	5.6
227.03548	8.7
227.07045	6.7
234.06837	8.0
241.05133	5.8
263.10718	5.2
263.71304	4.7
267.13861	18.9
271.06082	20.3
281.11829	10.6
283.13348	19.5
301.14566	5.1
309.11392	5.1
311.12921	10.0
325.10748	27.6
327.12415	97.9
328.13196	8.6
329.13962	10.8
342.11035	9.0
343.11832	28.8
343.15613	37.4
357.13547	70.1
359.15039	21.3
367.11444	5.4
371.15170	5.8
381.13571	5.9
399.14389	18.2
423.14209	5.5
443.13556	100.0
512.20361	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	501.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26570	2.2
54.82743	3.0
59.01383	47.7
64.04926	2.5
68.81210	2.9
71.01398	12.2
73.02956	14.0
85.02957	3.1
95.74005	2.7
124.48006	2.9
154.33208	3.9
263.23822	4.8
275.23672	11.6
278.16263	3.4
279.23337	100.0
293.22052	4.8
293.24954	74.8
303.23267	3.5
321.24426	17.3
326.31808	3.1
395.38797	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	501.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85257	2.6
58.00601	4.8
59.01387	34.1
64.61234	3.2
66.47410	2.5
71.01387	7.0
73.02977	5.3
81.75479	2.9
97.06573	2.8
101.02443	3.8
105.85468	3.1
113.02467	2.8
120.67345	2.9
124.61484	3.2
125.06066	3.7
125.24979	3.0
132.73225	2.8
167.24040	3.0
168.13512	2.9
181.28107	3.0
217.74026	3.1
275.23712	5.2
279.23352	100.0
293.24866	61.4
303.23163	5.3
321.24307	17.2
351.44284	3.1
365.70197	3.2
399.76901	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	501.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86032	0.6
52.53074	0.5
55.01884	0.8
57.03455	57.5
58.00601	0.6
59.01385	100.0
61.98837	1.5
71.01380	23.6
73.02950	6.0
73.50108	0.7
76.86563	0.7
78.91928	0.7
80.19887	0.7
81.03491	1.5
83.01406	4.1
85.02953	9.0
89.02438	14.1
89.65029	0.8
95.01386	1.7
96.95998	1.2
97.02979	0.9
99.00900	1.4
99.04515	52.7
101.02450	25.9
106.58530	0.7
113.02450	9.8
119.03508	6.1
125.02451	28.3
133.10173	0.9
143.03479	3.1
161.04552	4.2
163.06253	0.8
177.09235	8.1
179.05704	1.6
184.79567	0.9
195.10252	1.5
271.69937	0.8
339.14557	1.7
357.15616	15.1
399.16672	17.6
439.19711	2.9
457.21188	2.8
501.19897	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	501.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65128	0.2
54.10005	0.2
54.82564	0.2
59.01387	2.6
61.98811	0.2
68.58024	0.2
71.01384	0.5
78.95904	2.3
79.95714	1.8
88.82510	0.2
89.02431	0.4
96.96005	100.0
96.96889	3.9
101.02453	0.3
119.04994	0.8
128.18526	0.2
163.03992	0.4
163.08746	0.2
176.05899	1.0
177.06648	2.1
191.08267	3.7
205.06218	4.6
219.07779	4.2
255.06580	0.7
277.64633	0.2
285.61545	0.2
321.10876	0.2
339.11981	5.9
501.17224	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	501.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77351	1.5
54.57681	1.2
55.01899	2.6
57.03467	3.3
59.01387	100.0
61.98833	2.9
69.03471	6.3
71.01379	44.4
71.81470	1.6
72.99323	1.7
73.02946	16.1
83.01395	8.7
83.05064	1.5
85.02949	21.6
89.02419	16.1
92.85617	1.5
95.01421	2.0
96.96031	7.8
97.02935	6.3
97.19382	1.7
99.00941	2.0
99.04557	2.2
101.02441	25.3
103.04008	15.4
113.02470	7.4
119.03519	9.0
124.37554	1.5
125.02438	27.1
131.05046	6.0
133.06593	10.1
146.08269	3.7
161.04523	1.6
163.06068	12.8
164.90387	1.7
180.04367	2.0
185.12064	1.5
212.98126	1.7
247.08229	7.8
249.11420	1.8
307.10324	13.0
411.51569	1.6
441.17993	2.7
471.09854	1.6
501.19711	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	3.5
59.01383	38.3
61.98826	10.2
63.71976	1.3
71.01385	17.7
72.99315	2.4
73.02953	14.6
75.00862	1.7
83.01415	1.4
85.02975	2.9
85.40037	1.3
97.06592	1.8
101.02459	3.4
111.08237	1.9
113.02464	10.0
139.07680	1.5
236.76323	1.7
255.21136	1.6
261.22318	1.5
273.22281	16.0
277.21744	100.0
291.23318	61.0
301.21817	7.3
319.22855	19.6
349.23633	2.1
371.92099	1.5
526.88013	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	499.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62400	1.3
52.26341	1.0
57.03487	1.7
57.78514	1.2
58.00618	5.2
59.01386	40.1
59.01651	1.8
69.03465	1.6
71.01387	18.9
73.02946	13.7
75.00874	2.1
75.61818	1.2
76.58257	1.2
82.29977	1.2
83.01398	1.2
85.02992	6.1
89.02430	2.6
92.10149	2.7
95.01319	1.2
97.02866	1.3
97.06580	2.0
101.02454	2.2
113.02457	8.8
119.03626	1.6
125.06055	1.7
135.31709	1.4
139.07701	1.9
161.04604	2.2
184.55569	1.3
201.36784	1.2
255.21188	2.0
261.22348	4.3
263.23843	2.0
273.22284	14.7
277.21732	100.0
291.23334	77.3
301.21820	8.0
319.22769	16.9
349.23892	2.1
460.04446	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	501.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28214	0.6
51.28476	0.7
55.39508	0.7
59.01389	5.0
67.01878	0.7
71.01386	1.0
87.02871	0.8
94.06613	1.1
96.08236	1.0
97.01710	0.9
101.02422	0.9
106.06620	10.0
109.05326	1.1
119.25407	0.8
120.08189	4.3
122.06078	0.8
124.07677	15.4
127.85004	0.9
134.06120	100.0
138.05608	0.8
148.07669	1.1
160.01677	0.9
160.15150	0.8
164.07172	4.6
174.05618	0.8
178.05096	49.5
186.58540	0.9
192.06683	19.9
197.78485	0.8
220.06171	14.3
280.08310	4.9
323.38876	1.0
340.10406	44.3
465.18826	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	499.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57341	1.2
60.16821	1.2
61.31374	1.1
65.00331	2.3
65.50020	1.4
69.97236	1.2
74.91723	1.2
78.95914	7.5
88.07973	1.3
91.91689	1.2
93.03452	7.5
121.02941	10.6
131.01410	1.8
133.02892	1.5
137.02354	1.4
149.02454	20.9
150.03201	13.1
152.99562	14.5
153.01965	2.5
153.99934	1.9
164.04831	3.3
176.01141	44.5
177.01895	6.8
177.05571	7.3
178.02832	1.6
178.50313	1.4
191.03508	77.0
194.02165	2.3
224.65691	1.5
226.23141	1.5
263.09299	2.1
271.22894	12.1
276.17313	1.6
277.10840	1.9
291.12411	1.8
298.21255	1.5
305.13812	1.6
317.33258	1.5
319.15558	2.1
333.17081	1.9
347.18585	2.9
361.20203	7.8
404.25690	2.8
436.25772	2.4
448.24713	3.0
452.76605	1.4
463.27103	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	499.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	44.5
57.37647	3.4
59.01380	33.1
64.34937	3.1
71.01375	100.0
72.99319	15.4
85.02969	3.5
85.50880	3.3
99.04555	19.6
101.02453	15.6
115.00343	31.8
133.01460	6.8
247.20424	4.1
291.19675	22.6
309.20767	63.0
315.47034	3.7
373.27048	3.8
383.24539	26.9
481.24606	5.8
499.25812	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	499.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80400	2.3
59.01380	5.4
71.01376	4.9
83.05017	4.3
85.02947	29.5
87.00894	12.0
93.03473	5.3
95.05070	2.9
111.00966	3.5
121.02930	3.5
127.03979	4.0
127.07647	13.0
137.14406	2.8
153.09200	11.1
163.11288	4.2
169.13629	2.7
171.10265	15.0
173.04413	3.5
185.11856	13.9
191.05615	100.0
197.11870	15.3
209.11877	52.7
248.15063	3.2
251.11533	6.2
289.18201	10.9
307.19180	71.7
325.20255	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1963
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
57.03466	6.3
59.01366	9.6
63.46859	2.6
66.41341	2.7
68.99571	2.8
71.01414	5.0
83.01372	3.8
84.72671	2.8
85.02946	31.5
87.79810	2.4
96.96013	14.9
98.94646	3.4
101.02451	4.1
112.81195	3.0
112.98579	3.7
125.02441	4.0
125.34537	2.7
129.01968	5.2
134.03738	4.2
169.03464	2.9
205.03606	4.0
209.11847	100.0
217.56671	3.4
227.12918	18.2
253.09328	17.5
266.80716	3.3
292.81915	3.8
326.08914	3.5
391.10742	3.3
421.16022	3.5
445.20682	4.5
499.19553	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	499.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77774	2.5
55.01892	4.2
56.67747	2.7
57.03458	6.8
59.01406	3.4
60.12212	2.7
61.98853	4.6
64.00723	3.2
70.47836	3.0
71.01414	4.2
83.01390	5.3
85.02956	33.3
108.80985	3.3
109.05527	3.7
111.00930	4.2
129.01909	14.8
134.03801	36.6
135.04539	3.8
136.01660	100.0
149.06026	4.1
151.04018	88.0
152.04816	4.9
161.04457	4.6
198.42552	3.8
205.03461	13.9
213.05595	19.3
241.05110	92.8
256.07440	60.5
271.06610	4.5
271.09805	83.3
285.11139	6.8
319.11884	15.0
376.28436	3.8
421.13412	13.3
451.17596	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	499.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93496	3.3
55.47858	4.0
56.22095	3.5
57.03455	100.0
59.01385	51.8
61.98836	4.1
71.01395	30.2
72.67452	4.4
73.02949	25.4
85.02965	5.1
89.02455	10.2
99.04513	48.5
101.02453	34.0
113.02445	7.9
113.06110	4.9
123.04526	8.7
125.02441	25.5
128.07239	4.7
159.04651	5.0
161.04601	33.8
193.12309	24.7
217.12315	18.2
235.13493	4.8
263.07843	6.1
280.69815	4.8
309.20703	7.5
323.09839	30.5
380.23557	4.4
508.90836	4.9
514.58881	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	498.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63332	0.7
58.13538	0.7
61.98838	4.4
67.16775	0.6
71.14767	0.7
78.09446	0.7
78.95901	50.1
85.75916	0.6
96.96961	8.1
115.04695	0.8
150.98012	0.9
152.99600	100.0
154.20670	0.7
171.00635	1.6
180.06441	0.9
404.18210	0.7
435.25226	20.2
479.80252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66486	0.1
59.01387	0.3
59.93334	0.1
61.98857	0.2
64.59359	0.2
71.11008	0.1
77.62394	0.1
78.95897	3.4
79.95731	1.7
82.53915	0.1
82.61049	0.2
82.95420	3.1
89.02439	0.2
96.96007	100.0
96.96893	4.8
122.06203	0.2
142.33238	0.2
161.17969	0.1
181.84833	0.2
187.92105	0.2
287.92456	0.2
456.58884	0.2
477.40933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85844	1.1
51.43483	1.2
58.58703	1.2
59.01378	9.3
61.98838	1.9
69.82476	1.2
71.01385	2.2
75.23606	1.1
85.91167	1.3
88.23104	1.4
88.98784	1.5
90.05148	1.3
90.73040	1.2
95.01386	11.9
113.90517	1.3
119.05008	1.9
123.00885	100.0
124.01665	50.7
135.04398	1.8
146.03737	2.1
151.04048	1.9
163.04030	2.3
164.04642	1.5
175.02527	2.6
175.04037	1.8
176.04680	2.4
191.03493	10.5
211.13365	6.4
224.79114	1.4
273.11325	11.7
273.14474	1.3
281.11932	2.3
286.16089	1.5
291.12384	15.0
299.12939	13.7
317.14035	8.4
325.83725	1.3
334.14291	2.2
335.15018	24.1
467.16800	1.5
497.20251	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
81.03466	3.8
82.53112	0.6
83.05013	10.0
84.32819	0.6
96.95959	0.7
183.10356	0.8
207.15068	1.3
219.21016	0.6
224.17719	2.9
225.16188	7.8
241.25807	0.7
242.18738	1.2
262.66318	0.6
324.26773	1.2
333.23007	2.7
351.24039	0.8
433.31744	5.0
451.32971	100.0
452.33127	1.5
497.33694	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	498.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56140	0.2
59.01384	0.5
71.01398	1.2
82.90289	0.2
85.02985	0.3
86.85323	0.2
95.13004	0.3
96.95959	0.4
99.00892	1.0
101.02460	0.3
111.00889	0.3
118.03049	0.5
118.92825	0.3
131.03778	4.4
132.04521	2.1
159.03270	58.7
160.04054	100.0
161.04424	0.6
174.05632	0.4
184.04030	1.7
186.05600	1.7
196.04039	0.3
202.05106	1.1
214.05122	1.8
226.05132	1.3
232.06081	1.1
258.81784	0.3
272.17886	0.3
276.23917	0.3
322.09412	1.5
454.13632	26.0
455.14029	0.3
498.12607	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	497.1309
Annotation	Verproside
Peak:m/z	Relative Intensity
55.08177	0.8
57.03454	1.0
59.01388	9.1
61.98845	6.1
66.78329	0.9
69.65080	0.8
71.01403	1.8
73.02966	2.0
83.05041	2.0
85.02961	1.0
89.02448	1.2
93.03461	12.1
96.96031	5.7
97.42220	0.9
101.02440	1.3
101.37525	1.1
111.04517	2.0
116.92883	1.4
119.05095	1.2
127.06225	0.9
133.02966	7.4
134.03728	2.2
135.04535	100.0
137.02432	5.6
155.03514	2.2
161.02463	31.3
162.34859	0.9
163.62630	0.8
179.03513	86.1
181.08730	1.8
231.95302	1.0
282.72565	0.9
330.38098	1.0
335.07788	39.2
341.08932	1.8
497.13162	23.2
497.20221	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.8
63.89837	2.0
71.01395	8.1
78.20766	2.1
89.02467	4.3
94.57146	1.9
96.96011	14.6
108.02161	27.3
113.02391	2.1
123.04512	16.6
131.11079	2.0
151.03995	2.6
152.01161	72.1
165.05548	3.1
167.03499	100.0
172.05843	2.2
252.76021	2.1
298.92978	1.9
299.11316	4.7
302.12247	2.1
325.95380	2.3
329.02988	2.1
371.13510	10.2
461.13016	52.3
474.82385	2.2
497.14426	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	497.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35236	1.4
55.55456	1.3
59.01389	2.4
60.26752	1.3
71.01373	2.7
79.75357	1.4
80.91653	1.5
89.02453	1.5
93.03455	100.0
96.96017	13.3
101.02455	1.7
111.86258	1.5
123.00852	6.0
137.02449	89.7
138.03195	2.8
139.04041	1.7
149.02443	3.2
150.03169	2.4
151.04034	1.6
164.04857	1.5
187.48938	1.7
287.09210	15.5
335.11630	1.6
430.14667	2.1
497.17810	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	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	81.8
59.15705	11.7
61.03750	13.0
61.98840	80.9
68.52744	13.0
71.01384	24.9
71.31448	12.4
75.93164	13.1
80.48884	12.3
85.02979	19.1
105.05326	13.0
115.06669	14.2
119.05035	18.6
137.06110	16.4
163.03799	15.9
169.40610	13.2
207.10246	98.0
212.29128	16.5
225.11307	17.8
253.09349	25.4
404.12509	17.8
461.20493	100.0
497.18054	23.8
503.48514	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	497.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24743	9.2
51.97134	10.7
59.01391	73.2
59.80825	10.9
61.98847	66.5
70.55874	10.1
71.01392	17.0
72.27857	10.0
78.95928	10.9
101.02426	18.4
109.06640	20.9
114.47498	12.5
133.22229	14.1
199.13409	12.5
207.10272	100.0
225.11406	26.9
240.06999	14.7
253.09285	17.0
407.75668	12.2
461.20306	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.7
61.98838	2.3
62.08688	1.1
62.96779	1.1
71.01408	1.3
77.87202	1.1
79.12339	1.3
82.20577	1.2
87.61914	1.3
92.78713	1.2
97.06611	2.1
103.18875	1.3
108.70944	1.3
117.22120	1.4
121.02965	2.4
134.03748	32.1
135.04520	7.5
137.02396	1.6
146.03729	1.3
147.04529	5.0
149.02448	2.3
149.06062	13.3
150.03157	1.4
151.04002	1.7
152.06371	1.5
152.27130	1.1
158.38805	1.3
159.04538	2.0
161.02510	2.2
161.06047	1.5
173.06065	1.5
174.03157	1.6
175.04002	10.8
175.05280	1.3
183.10309	7.8
184.01987	2.2
187.07582	1.5
188.04826	2.7
189.05595	9.8
190.06303	2.2
199.07712	1.5
217.08762	3.0
218.05833	7.3
218.07863	1.3
218.63257	1.3
220.07407	13.2
224.04999	3.0
225.05592	5.0
237.05524	6.0
240.04338	2.9
241.05170	1.8
247.09830	17.6
249.11336	20.9
252.04347	4.8
253.05052	10.8
255.06633	8.5
255.65369	1.3
265.05096	2.6
269.04584	2.8
269.08008	2.5
280.07437	1.7
281.04599	13.5
281.07657	1.9
282.05331	2.2
283.06219	2.2
296.07016	10.2
297.07675	2.8
298.08334	1.4
299.09351	1.8
311.09341	15.5
313.11017	1.9
317.08340	1.8
327.06247	1.5
329.08249	2.6
340.07257	2.0
345.07669	2.3
346.08539	2.4
356.06766	2.6
357.07809	6.8
358.08731	2.4
361.10895	3.0
368.06726	2.1
369.07684	3.2
371.09357	1.3
373.07004	6.2
374.07999	21.2
386.07999	9.9
389.10379	55.7
401.10297	24.9
404.12711	41.9
416.12686	14.2
419.15085	100.0
431.15002	16.9
437.17944	1.7
449.16110	2.7
467.17136	9.7
479.17068	23.7
515.04730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66211	0.5
61.98821	4.9
62.63064	0.6
78.95898	56.6
88.19347	0.6
96.96958	7.7
143.44449	0.6
150.98055	2.8
152.99597	100.0
171.00638	3.1
211.43123	0.6
279.23215	0.8
433.23676	23.2
441.26849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45703	0.4
61.68059	0.4
61.98828	60.5
63.85827	0.4
71.74249	0.5
78.95889	1.1
89.48930	0.5
92.10792	0.9
112.51287	0.5
117.03505	0.9
129.14714	0.5
132.02243	0.6
133.02940	19.9
134.03720	3.1
134.07777	0.6
135.04524	8.6
137.02469	0.5
152.99606	2.2
161.02437	100.0
179.03479	2.2
271.22778	11.7
383.02075	0.5
415.24857	2.6
433.25980	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08334	1.0
59.36742	1.1
61.98833	100.0
67.17903	1.0
76.47736	1.2
78.81686	1.3
78.95912	2.7
79.47902	1.1
81.00551	1.0
81.39957	1.1
117.02638	2.6
117.03457	57.4
122.86417	1.1
152.99582	2.7
161.02467	14.0
191.07123	1.2
271.22827	4.4
307.18054	1.5
393.26361	1.3
433.26230	11.5
450.72537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70271	0.4
59.01395	0.4
61.98831	100.0
73.69028	0.4
73.78575	0.5
79.23008	0.4
104.22518	0.4
112.84111	0.6
137.66832	0.5
253.97569	0.5
269.12332	0.5
355.31314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47220	0.6
57.03457	1.4
57.97564	1.2
58.02980	8.1
58.39421	0.7
59.01395	6.4
61.98838	5.8
70.02983	11.5
71.01386	1.6
72.00934	0.8
72.04546	14.2
74.02473	29.0
81.03955	0.7
83.02538	0.9
84.04559	3.6
86.02492	3.6
88.04026	0.8
92.10123	2.4
96.99889	6.7
97.04090	4.8
98.00704	1.4
98.02476	4.6
98.06093	0.9
99.05632	19.8
110.00708	3.2
112.04048	3.7
123.01523	7.6
123.05638	4.6
125.02941	1.1
125.03680	2.3
138.03828	3.7
141.06714	68.5
143.04620	15.6
151.00375	0.8
151.22191	0.8
152.17908	0.8
159.62473	0.8
185.04184	1.3
185.05701	23.3
188.14542	1.0
194.10139	4.0
220.11630	1.1
222.09657	9.3
222.13205	4.0
231.13849	1.0
235.12828	0.9
236.11253	1.1
240.10620	19.0
248.11133	1.8
249.14301	1.5
252.10391	1.2
264.14160	1.6
266.12186	12.7
290.12228	3.3
290.18414	3.7
292.13739	1.6
308.13321	18.8
326.14276	5.8
333.16742	1.6
334.17239	1.2
352.12427	1.5
389.03983	1.0
408.19449	1.0
409.14450	1.7
434.17694	3.5
436.22852	1.1
452.18643	7.2
478.16501	1.8
496.17706	100.0
497.17654	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	496.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64795	0.3
54.82434	0.3
59.01379	3.0
61.98833	0.8
71.01379	0.5
75.69486	0.3
83.01372	0.5
83.05030	1.7
84.05351	0.4
84.82628	0.3
89.02450	0.4
89.28110	0.3
101.02454	0.6
107.63399	0.3
108.02161	1.4
109.80528	0.3
122.03731	5.7
123.04522	1.9
150.03227	100.0
151.03569	0.5
163.67970	0.3
164.69077	0.4
165.05571	58.0
165.47383	0.3
166.05853	0.3
180.02681	0.5
180.04286	15.7
181.08722	5.6
182.08997	3.6
195.06631	56.2
196.07085	0.5
199.09921	0.5
200.10172	0.5
253.09271	0.6
332.58893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16298	4.9
59.01394	12.8
61.98849	6.1
65.99329	5.6
66.85877	5.1
76.03862	6.4
78.95906	64.7
152.99593	100.0
318.19183	6.5
495.24249	11.0
508.02087	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	495.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43739	0.5
52.30139	0.5
59.01382	100.0
61.98832	5.0
66.21351	0.7
71.01395	0.9
86.32893	0.7
88.98818	0.6
94.64970	0.8
119.05045	1.0
151.00400	1.1
155.33333	0.7
166.06363	1.4
176.01961	0.7
181.08629	1.3
183.52786	0.8
221.70911	0.7
266.47540	0.7
271.06100	0.9
394.98538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17769	0.5
55.01891	0.8
57.03454	1.4
59.01384	10.8
61.98838	4.2
71.01374	5.5
73.02946	0.8
80.02692	0.9
81.03465	0.9
83.05019	6.0
84.02160	1.1
87.00892	1.0
88.98821	3.0
89.02448	4.8
99.04520	0.9
101.02451	7.0
113.02478	2.6
119.03521	1.0
125.02483	0.8
135.08180	0.7
137.02419	3.2
163.11261	5.2
165.12848	3.5
166.05077	4.1
209.11855	100.0
212.05307	0.6
227.12907	12.7
249.73528	0.7
253.09322	9.4
351.19925	1.0
376.94562	0.7
466.82608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15664	0.1
59.64034	0.1
61.67007	0.1
61.98835	100.0
85.14334	0.2
99.86466	0.2
102.53853	0.2
129.88083	0.2
163.34442	0.2
204.67931	0.2
271.06171	0.6
369.21609	0.2
441.24548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15468	0.4
59.01381	16.0
60.31824	0.5
61.98840	0.5
62.52897	0.4
70.88078	0.5
71.01390	3.7
78.99596	0.4
85.02979	0.9
87.80957	0.5
89.02458	3.5
90.04907	0.5
92.10162	1.1
101.02448	4.1
113.02467	1.2
116.92879	0.7
119.03486	1.0
122.03717	0.9
123.04491	0.7
136.05338	0.5
137.02431	0.6
151.07620	0.7
153.12869	1.0
161.04597	1.2
169.12314	6.0
197.11845	100.0
253.09319	9.2
287.12961	2.8
331.15622	8.6
433.20746	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	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41268	1.3
59.01382	100.0
61.98812	2.6
69.37126	1.5
71.01382	2.1
89.02451	7.8
91.03989	28.7
117.86876	1.7
121.02973	1.8
167.99039	1.8
209.19498	1.6
223.20686	57.0
235.93001	1.5
260.89172	1.6
267.19644	45.0
283.87411	1.6
285.20728	49.5
341.23389	22.6
359.24417	34.8
493.28046	2.2
506.68399	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	494.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40659	0.3
50.88155	0.3
59.01382	18.1
60.01706	0.4
61.98832	100.0
71.01386	0.6
76.35477	0.4
101.02448	0.5
107.22564	0.4
114.36542	0.4
120.04473	0.4
148.04076	0.9
166.05066	2.6
167.05457	0.7
188.36241	0.4
204.08804	0.4
251.40884	0.5
268.03802	15.9
269.04541	5.3
331.13077	1.0
332.13492	0.4
431.09949	13.7
511.79285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60842	0.4
53.48885	0.4
54.82713	0.4
59.01378	0.7
61.98831	100.0
74.60398	0.4
76.60235	0.5
134.03685	0.9
135.25925	0.6
137.02460	0.9
149.06061	2.1
177.95937	0.4
218.96716	0.6
275.45206	0.6
433.42032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2238
Annotation	Scortechinone D
Peak:m/z	Relative Intensity
58.96163	0.4
62.77531	0.5
74.36128	0.5
75.93515	0.5
82.95407	0.8
87.20473	0.6
95.01389	1.1
108.02173	7.2
109.02961	7.7
111.00886	2.3
114.38505	0.6
120.28922	0.7
121.02968	3.9
122.03738	7.8
123.00869	8.5
123.04524	6.9
124.01643	9.1
135.04486	0.6
136.01659	21.1
136.05301	2.3
137.02438	8.5
137.06084	3.0
148.05321	6.4
149.06085	3.0
151.04024	13.3
154.02754	1.1
159.04541	0.9
163.04012	2.6
163.07664	2.2
164.04860	4.0
165.04163	0.6
165.05565	19.6
174.06836	2.5
175.07642	5.3
176.08472	2.4
177.09245	7.8
179.07059	1.1
186.06845	0.7
191.07118	4.2
192.07944	3.4
196.03741	2.2
203.07109	1.2
203.10847	4.6
204.11577	3.1
205.12308	3.0
207.00272	0.6
215.10652	0.8
218.09476	2.8
219.10347	0.8
228.04437	0.6
236.10550	2.6
273.11249	0.8
301.10950	0.9
313.14542	2.3
313.18207	2.3
324.58908	0.7
339.16098	1.1
341.13934	4.8
341.17645	12.8
344.17957	0.7
351.16055	2.2
355.15628	1.3
356.16190	2.4
369.17413	0.8
376.88007	0.6
475.21225	3.2
493.22403	100.0
494.22714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2236
Annotation	Scortechinone D
Peak:m/z	Relative Intensity
54.83242	0.3
59.72321	0.4
61.98852	0.4
67.01899	0.8
74.77780	0.4
90.99284	0.4
95.01367	0.8
96.90005	0.4
108.02184	6.9
109.02952	7.8
111.00872	3.3
121.02969	3.9
121.06699	0.4
122.03737	6.4
123.00883	12.0
123.04514	6.4
124.01665	11.5
135.04501	0.6
136.01659	11.4
136.05241	1.7
137.02466	7.2
137.06114	3.4
139.00381	0.6
148.05336	3.1
149.06064	4.1
151.04021	6.4
152.01141	0.5
153.01935	0.6
154.02689	0.7
159.04498	0.6
163.03979	2.8
163.07607	1.9
164.04845	3.6
165.05576	18.8
174.06924	1.6
175.07640	2.7
176.08412	2.6
177.09181	6.4
179.07213	0.9
186.06845	0.5
187.07619	0.5
188.04892	0.5
189.09406	0.5
190.06396	0.6
191.07172	8.5
192.07837	1.9
193.08614	0.5
196.03729	2.1
203.07167	2.4
203.10829	1.9
204.11574	1.9
205.08777	0.6
205.12384	1.6
215.10701	0.6
218.09561	0.9
236.10599	0.8
273.11057	0.5
301.10849	1.7
313.14191	3.1
339.15961	1.0
341.13876	6.2
341.17639	6.2
342.14825	3.0
351.16028	1.6
355.15573	4.4
356.16284	3.9
369.17230	1.0
409.16727	0.5
471.98199	0.5
475.21353	3.0
493.22400	100.0
494.22742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90193	5.0
57.03421	6.3
59.01377	100.0
60.19946	5.8
61.98831	44.1
71.01372	57.7
83.01389	9.7
85.02966	11.8
87.68964	6.7
88.98780	8.2
89.02452	70.0
96.53643	5.9
97.02935	6.7
101.02435	33.6
113.02436	25.0
116.92934	7.0
119.03504	7.0
119.04932	7.1
125.02427	14.3
129.01941	13.1
148.05299	29.5
151.00322	6.2
195.10321	12.8
233.06488	7.0
247.61192	5.8
253.09261	11.5
283.13452	33.7
293.08804	67.6
304.07849	6.9
433.25043	10.3
437.49237	6.6
493.14780	24.4
493.21283	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2089
Annotation	Amritoside D
Peak:m/z	Relative Intensity
52.35543	1.0
57.03460	2.1
59.01372	13.5
60.65003	1.1
61.55244	1.1
61.98832	5.3
69.85704	1.2
70.75359	1.0
71.01390	2.3
71.36884	1.1
78.95914	5.6
83.01405	2.1
85.02969	2.2
88.13683	1.4
89.02444	2.1
94.98617	1.3
101.02460	1.5
119.05048	2.8
121.02911	2.1
122.03697	12.1
123.04484	4.8
125.02461	1.7
135.02010	1.4
148.05328	6.0
152.99556	2.2
163.07719	2.4
166.06323	2.2
167.07230	2.0
185.55072	1.3
193.08701	2.8
194.09418	1.7
195.10233	3.0
212.94916	1.4
231.91013	1.3
265.31952	1.5
287.13095	1.9
303.29535	1.2
331.15561	100.0
385.97110	1.5
457.17554	1.9
493.24326	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	493.2083
Annotation	Amritoside D
Peak:m/z	Relative Intensity
55.96636	0.5
57.03470	0.9
59.01382	8.5
61.98833	3.3
70.67883	0.6
71.01386	4.8
81.03478	1.0
83.01393	0.8
85.02955	1.4
88.98809	1.3
89.02455	2.8
93.03431	0.6
99.04507	1.1
101.02438	2.9
108.02174	2.5
109.02921	1.0
109.06613	1.0
113.02470	1.2
116.06075	0.6
119.05042	1.0
120.05794	3.0
121.02918	5.7
122.03731	24.7
123.04527	1.4
124.01682	1.4
134.03755	1.1
135.04523	1.2
135.08173	1.5
137.02472	5.3
137.06055	1.0
149.06042	4.3
149.07103	0.7
154.02751	6.3
164.08429	13.6
165.09204	31.6
177.09250	6.4
196.07420	24.9
231.42143	0.6
257.07968	0.8
267.10239	5.2
269.11807	7.9
281.11880	3.4
283.09525	0.9
286.12140	5.4
297.11307	11.4
298.12115	10.1
301.14493	52.1
302.14645	0.7
313.10941	2.7
313.14438	26.2
315.19971	0.7
331.15546	100.0
332.15829	0.9
358.41351	0.7
433.24670	1.2
444.02670	0.8
493.22327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.07451	0.2
78.95898	1.2
89.02448	0.7
91.04030	0.7
117.03462	22.0
118.04260	0.6
119.05018	12.0
121.02946	2.8
123.04534	0.4
126.58025	0.3
128.03650	0.3
133.02972	1.1
145.02956	100.0
146.03308	0.7
148.24702	0.3
152.99585	1.5
163.04022	4.9
190.35887	0.3
225.22252	0.6
271.22806	8.2
331.26465	7.1
355.26361	1.4
399.25427	19.0
400.25488	0.4
409.23969	0.4
412.46109	0.3
417.21262	0.6
417.26517	12.6
491.30191	33.7
492.31039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
60.01705	0.3
61.98832	100.0
71.01393	0.3
73.02893	0.2
82.55683	0.2
84.48193	0.2
100.63236	0.2
101.02440	0.3
109.53973	0.2
131.92404	0.2
134.11241	0.2
163.06039	0.2
184.88913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75431	0.1
59.01386	2.5
71.01382	0.3
72.99317	0.2
75.35757	0.1
78.95909	1.6
85.32431	0.2
89.02441	0.6
91.03989	1.7
92.10160	0.3
117.03455	24.3
117.07084	0.2
118.04240	0.7
119.05013	12.6
121.02956	3.6
121.03764	0.3
123.04498	0.8
133.02975	0.8
134.03743	0.2
145.02953	100.0
146.03304	0.7
147.04590	0.2
152.99553	2.7
156.05795	0.2
162.03191	0.6
163.04005	6.0
169.09471	0.2
225.22241	0.6
229.78680	0.1
256.59970	0.2
265.22598	0.1
270.10510	0.2
271.22815	8.6
331.26440	6.8
355.26404	1.2
399.25455	20.1
400.25940	0.2
409.23737	0.6
417.26505	11.5
455.06638	0.2
491.30209	30.2
492.30325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1928
Annotation	epi-12-Palmatoside G
Peak:m/z	Relative Intensity
56.67506	0.5
58.92215	0.5
59.01385	7.9
60.82191	0.5
71.01382	4.1
83.01395	0.7
83.05863	0.5
88.22885	0.6
89.02455	2.7
96.46295	0.5
101.02416	2.3
105.23743	0.6
108.02186	3.7
116.92833	0.7
121.02953	4.7
122.03741	10.1
123.04479	3.0
134.03729	3.9
135.04486	1.3
136.01656	1.3
136.05260	0.6
137.02473	0.9
146.03679	0.8
148.05296	0.7
149.06087	4.3
161.06081	2.5
162.06866	39.2
163.07663	13.4
164.04782	1.3
173.06096	1.2
174.06833	15.0
175.07651	15.2
176.04817	8.5
177.05580	6.2
177.09216	2.1
191.07185	5.9
192.07936	0.8
194.05843	4.6
196.92699	0.6
205.08755	1.0
225.05490	0.7
241.63620	0.6
257.14716	0.7
265.09070	0.6
267.10187	0.8
278.09528	0.8
279.10321	1.2
281.08154	1.1
295.09760	3.2
296.10568	8.6
299.12918	33.7
311.12943	23.9
329.13992	100.0
431.22800	0.6
491.12222	1.1
491.19339	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	491.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	5.0
59.01391	32.3
61.98837	4.7
62.09412	2.3
63.04939	2.5
64.65112	2.4
71.01401	12.4
73.02943	2.6
73.29606	2.2
73.55976	2.2
74.24957	2.3
75.18124	2.7
85.02950	3.8
88.98795	3.1
89.02461	3.5
93.11174	2.9
96.96034	6.3
97.41074	2.9
101.02444	10.6
119.03524	2.6
121.02971	2.6
135.04593	2.7
139.80908	2.3
149.02573	2.7
159.04446	3.0
226.06419	16.3
227.06885	3.1
235.07709	13.0
249.11354	4.2
253.08682	22.8
265.08777	17.6
281.08075	4.8
283.09753	6.2
284.10645	23.0
296.10605	17.6
299.12976	18.1
311.13019	31.3
314.11740	10.2
329.13983	100.0
343.12634	3.0
431.22726	3.0
491.19290	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2424
Annotation	nymphaeol C
Peak:m/z	Relative Intensity
59.01388	76.4
60.42613	12.5
61.98850	18.3
71.01382	31.2
72.99319	22.0
85.96210	14.6
104.10020	14.6
109.91470	13.9
112.98812	25.8
116.76367	16.0
142.99916	57.4
149.06071	32.0
174.01643	28.8
193.89465	15.8
195.29253	15.5
198.33179	16.4
201.88655	15.6
271.06171	19.7
288.09918	17.6
329.13959	24.2
491.24222	100.0
506.55048	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	491.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16434	0.2
59.01390	1.7
61.98844	0.3
70.11690	0.2
74.90862	0.2
78.95903	2.8
80.41211	0.2
81.03056	0.3
81.78656	0.3
91.04015	0.5
92.84985	0.3
113.25314	0.2
117.03458	25.5
118.04221	0.4
119.05016	13.3
121.02949	3.2
123.04519	0.5
132.05765	0.3
133.02950	1.0
140.19000	0.3
145.02954	100.0
146.03299	1.0
152.99573	4.6
163.04010	5.8
205.20737	0.3
223.99915	0.3
225.22255	0.6
250.74498	0.3
271.22830	8.8
331.26379	5.5
355.26364	1.0
399.25403	19.9
405.91312	0.3
409.23645	1.0
417.26532	12.8
441.97922	0.3
491.30173	24.5
492.30313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.6
59.01651	1.3
60.14561	0.8
61.98841	1.2
71.01373	7.9
73.02911	0.8
76.77739	0.7
82.21299	0.7
84.95129	0.8
85.02969	1.0
88.98811	1.8
89.02455	4.9
92.10126	1.6
96.96014	4.1
101.02451	3.9
113.02451	1.2
116.99973	0.7
117.64646	0.8
122.03762	1.7
123.04475	1.0
142.06606	2.0
150.03232	100.0
151.07561	0.9
162.03239	14.7
165.05568	96.2
177.05579	27.9
177.09232	1.0
179.10806	1.3
180.04300	11.1
180.97157	0.8
195.06638	56.0
196.07217	0.9
203.10866	1.1
221.08345	1.7
221.11804	1.1
280.32941	0.9
285.93417	0.8
431.18857	1.1
441.31238	1.0
491.17578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1925
Annotation	epi-12-Palmatoside G
Peak:m/z	Relative Intensity
50.17732	1.6
53.27234	1.5
56.73253	1.8
57.03455	2.8
59.01383	27.8
60.49693	1.6
61.98827	4.0
63.09116	1.8
64.34230	2.2
69.40551	1.9
71.01390	11.8
73.02946	2.2
73.52798	1.6
85.02973	2.0
85.88497	1.9
89.02444	8.4
101.02443	4.7
121.02931	2.6
155.76305	2.2
183.78104	2.0
196.59082	1.9
197.22426	2.1
215.03699	2.1
226.06332	17.0
227.07095	3.3
235.07567	9.3
238.06345	2.9
247.07593	2.5
249.11356	3.3
253.08676	21.5
265.08719	16.2
269.08197	2.5
281.08203	8.1
283.09760	13.3
284.10535	22.3
296.10443	11.1
299.09424	2.4
299.12897	12.0
311.12939	20.2
314.11624	11.1
329.13992	100.0
329.17950	3.5
333.15714	2.0
362.81821	2.5
476.16702	2.4
491.12317	3.1
491.19308	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22677	0.6
57.03454	0.9
58.00599	1.1
59.01384	100.0
69.03467	1.4
71.01378	21.8
72.99326	3.6
73.02943	28.0
75.95807	0.7
83.01401	1.1
85.02947	10.5
87.00871	6.6
87.04521	3.9
89.02438	27.0
92.10048	1.3
99.00891	0.6
101.02434	39.4
103.04012	20.1
113.02446	2.7
115.03999	6.9
119.03497	9.9
119.05035	4.0
120.05405	0.8
121.02914	1.2
125.02434	0.8
127.04006	1.6
130.08759	0.8
131.03510	9.7
134.51089	0.7
143.03488	14.1
145.05098	4.7
155.82658	0.7
163.06120	62.1
179.05611	1.3
198.60358	0.6
205.07211	13.8
224.07639	0.6
235.08047	2.2
253.09283	0.8
260.30182	0.7
265.09366	12.2
307.10385	1.5
325.11469	10.0
329.24216	0.7
430.17221	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40189	0.1
52.06462	0.1
52.75068	0.1
57.03444	0.1
59.01381	0.6
71.01381	0.2
73.32730	0.1
78.95901	3.3
79.95741	1.7
80.82838	0.1
83.83653	0.1
88.98784	0.2
92.10075	0.3
96.03237	0.1
96.96005	100.0
96.96891	4.3
101.02414	0.2
125.09956	0.1
133.52640	0.2
274.14117	0.2
345.59647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1562
Annotation	Decumbeside A
Peak:m/z	Relative Intensity
52.57635	0.7
53.45994	0.6
59.01387	10.2
60.44924	0.6
60.99327	1.0
61.98837	8.4
68.64990	0.7
71.01408	3.1
77.03939	0.8
83.01366	0.8
85.02952	1.6
88.98796	8.0
89.02462	4.5
93.03461	9.7
96.96017	2.0
101.02467	1.2
108.02158	1.8
110.12791	0.7
113.02441	3.0
115.04024	1.0
116.92852	1.3
119.05023	39.2
121.02942	8.4
124.13545	0.7
131.07130	3.6
135.04524	100.0
145.02934	0.9
163.04012	37.2
163.05383	1.2
165.01912	3.6
165.05566	40.4
179.10785	12.9
180.04248	4.2
192.11523	0.8
195.06572	6.3
203.10741	1.2
215.10683	1.3
228.62247	0.8
229.07326	0.9
251.12970	1.0
325.09265	1.1
416.65237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33942	0.2
59.01385	3.4
59.01638	0.4
68.50658	0.3
69.03461	0.4
71.01384	5.9
71.12302	0.3
72.99319	0.6
73.02940	5.6
75.00864	7.4
77.13930	0.3
87.00877	3.3
89.02438	31.2
95.06653	0.3
101.02452	0.5
102.23306	0.3
103.04002	3.0
131.03500	9.3
149.04562	100.0
201.21936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23527	0.4
55.56306	0.5
58.09090	0.5
59.01384	9.3
60.99311	17.5
61.98836	3.0
71.01373	2.8
72.99342	0.7
73.02962	0.8
75.00870	12.7
78.48157	0.5
81.98515	0.6
87.00903	0.9
88.98805	100.0
89.02445	4.8
96.96008	1.0
101.02451	1.3
104.08321	0.6
116.92872	4.3
134.03760	0.9
161.04530	0.8
177.09190	0.6
178.02734	0.5
193.05066	1.0
194.05424	0.7
431.22995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35225	1.9
59.01389	61.8
61.73566	1.8
61.98850	2.1
64.94436	2.0
71.01366	24.1
78.83226	2.1
81.98534	2.3
85.02959	3.6
89.02443	18.3
96.96013	13.0
101.02438	9.2
111.73499	2.4
113.02458	9.5
119.03491	3.1
122.03746	2.7
135.26329	2.8
139.69754	2.3
149.06081	3.9
150.03236	100.0
162.03227	18.7
165.05576	88.5
165.06860	4.8
177.05579	27.2
177.09181	2.5
180.04320	10.7
195.06622	52.4
221.08167	15.6
257.49045	2.7
266.01352	2.5
392.70877	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	489.2131
Annotation	Crocetin glucosyl ester
Peak:m/z	Relative Intensity
59.01387	1.5
62.52377	1.0
81.44355	1.0
85.02918	1.4
99.25977	1.3
104.35821	1.1
121.02971	5.6
122.03738	8.1
133.51013	1.3
136.05324	5.0
151.65674	1.1
153.01836	1.2
164.04807	12.4
168.04218	1.5
174.06859	2.1
175.07639	19.4
176.08420	10.7
188.64069	1.4
190.06346	13.0
191.07071	4.8
193.05168	2.4
208.07491	2.3
257.34326	1.6
282.09061	1.3
297.11377	1.6
327.16046	100.0
328.16324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2266
Annotation	Moralbanone
Peak:m/z	Relative Intensity
51.38322	6.9
57.03455	20.3
59.01387	51.5
61.98837	15.3
67.30475	7.7
71.01394	12.9
76.48035	7.2
85.85669	9.1
125.02439	9.7
137.78236	8.6
151.42464	8.8
179.72118	8.3
197.21426	9.7
225.73309	8.1
243.87419	8.6
489.22720	100.0
495.84018	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	489.1618
Annotation	6'-O-beta-Apiofuranosylsweroside
Peak:m/z	Relative Intensity
51.90059	1.0
54.82780	1.1
55.01897	1.1
59.01383	44.0
61.80515	1.2
71.01385	16.9
71.05015	2.1
72.99308	2.7
73.02950	7.9
83.01430	1.6
84.95160	1.1
85.02958	7.6
87.00867	12.3
88.98798	1.6
89.02439	16.0
92.10120	1.8
96.96012	3.0
99.00867	13.1
101.02444	9.0
108.02208	1.5
108.44116	1.5
113.02451	7.5
115.04034	12.1
116.92847	1.5
119.05045	8.7
120.05405	1.4
121.02993	5.6
123.04509	5.4
125.80176	1.3
134.03746	52.9
135.04509	10.3
136.05284	11.3
137.02487	10.0
149.04698	2.6
149.06085	21.1
151.04018	3.1
151.07629	5.8
159.42744	1.4
161.16393	1.3
162.03229	8.6
163.04002	2.2
177.05544	6.7
178.02742	37.5
193.05086	100.0
195.06645	86.4
223.49831	1.3
237.07718	1.9
243.20488	1.5
285.14383	1.5
297.57687	1.3
371.14883	1.3
383.94827	1.9
388.53799	1.8
405.84070	1.6
429.14090	9.6
489.16290	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1768
Annotation	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
Peak:m/z	Relative Intensity
58.11419	0.6
67.88610	0.6
73.17303	0.6
73.74376	0.5
83.96433	0.6
93.03477	1.3
97.88909	0.6
102.72473	0.7
104.96872	0.6
109.76227	0.7
119.05028	4.6
121.02950	2.7
122.03783	0.6
135.04526	3.8
161.06104	4.1
162.06868	40.0
163.07634	2.8
164.04808	2.5
173.06075	0.8
174.06870	6.5
175.07680	4.3
176.04832	2.9
177.05542	0.7
187.07674	0.8
190.06305	1.0
191.07214	1.0
256.07529	1.4
266.09534	1.5
279.10333	1.3
281.11804	1.5
295.09753	0.9
296.98871	0.7
297.11371	48.8
309.11346	22.3
325.10706	0.9
327.12421	100.0
465.82147	0.8
489.17822	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	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01381	20.7
71.01736	1.3
73.02946	28.2
83.01410	1.3
83.36993	1.0
85.02946	9.3
87.00881	9.8
87.04520	3.8
89.02430	20.6
99.34042	1.0
101.02443	36.7
101.03099	1.6
103.04013	17.0
113.02502	2.1
115.04023	8.2
119.03511	8.7
124.56689	1.0
131.03500	10.8
143.03484	10.6
145.05086	4.4
163.06126	44.9
175.28801	0.9
205.07219	19.3
236.13963	0.9
254.68665	1.0
265.09329	5.2
311.18372	1.0
390.20682	1.0
429.17682	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	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
55.60516	1.3
56.55544	1.2
57.03451	6.0
59.01378	100.0
61.64978	1.2
65.11950	1.2
69.03462	1.8
71.01369	60.9
71.31607	1.5
72.99310	2.1
73.02933	23.6
83.01369	17.3
85.02928	29.1
87.00855	2.3
88.76340	1.6
89.02431	13.0
95.01382	2.9
99.00849	11.2
101.02422	58.9
108.69447	1.3
113.02435	24.4
113.03041	1.5
119.03481	3.1
125.02436	3.4
143.03447	1.9
145.04947	1.5
159.03012	2.8
161.04553	26.6
283.11880	47.1
429.17636	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99094	0.7
59.01390	7.2
59.31556	0.8
61.98845	0.7
64.47591	0.7
71.01395	5.2
73.02975	1.3
82.95422	6.1
83.77431	0.7
85.02946	1.9
85.82404	0.6
89.02454	3.4
96.96008	26.5
96.96942	1.0
99.00912	3.2
101.02436	2.9
119.05059	0.8
121.02953	1.6
125.02449	4.4
133.02968	1.2
134.03740	100.0
135.04454	1.0
137.02478	10.9
139.03993	1.9
145.02927	1.2
149.04895	1.4
149.06093	38.0
159.34924	0.8
163.03993	0.9
175.03917	1.1
176.43166	0.7
178.02724	44.5
192.19572	0.9
193.05078	57.3
203.11147	1.0
259.06177	5.8
287.05573	4.7
288.66931	0.7
291.94122	0.8
361.89474	0.9
382.03879	0.9
487.14655	64.0
488.14932	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	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.2
62.50505	0.8
86.65537	1.1
89.31533	1.0
93.03429	1.1
96.96011	10.7
114.65421	1.1
119.05018	100.0
120.05340	1.1
121.11966	1.3
145.02956	6.8
158.37912	1.0
159.04330	1.1
160.84186	1.2
161.06099	2.1
163.04008	76.9
200.02014	1.0
205.05067	2.5
236.00136	1.1
259.33563	1.3
273.45352	1.0
289.80890	1.1
325.09238	10.4
483.26007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09912	1.0
59.01390	10.4
62.04590	1.2
71.01393	2.0
89.02467	2.4
92.10209	2.4
101.02463	2.7
113.02470	1.3
113.46604	1.4
123.12801	1.5
196.21164	1.4
198.75943	1.4
251.20180	100.0
253.09282	9.3
264.66617	1.6
324.75668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3065
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
51.22366	0.6
74.13771	0.8
78.87700	0.9
79.44935	0.8
134.54697	1.0
164.86781	0.8
194.60103	0.8
451.32986	1.7
487.30667	100.0
488.30594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09241	1.0
56.62621	1.1
57.03453	8.0
59.01383	22.0
67.53979	1.0
68.61582	0.9
71.01379	100.0
72.99306	38.7
72.99687	1.8
85.02942	11.9
87.00870	44.2
89.02468	7.2
96.99356	2.3
101.02443	5.9
102.05610	1.1
103.04050	1.6
103.19273	1.1
108.49188	1.0
113.02438	1.8
115.00375	17.5
119.03493	4.5
129.01936	79.5
132.93167	1.0
133.01440	2.2
146.04677	1.5
147.03003	97.6
147.06665	4.0
179.05609	5.3
191.05615	21.8
266.87762	1.2
317.54318	1.1
341.10953	17.5
412.85834	1.3
499.01981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	22.0
59.55463	2.8
71.01402	3.1
76.43231	3.2
79.96135	3.0
81.16492	3.1
85.84604	3.4
89.02438	7.1
96.95994	20.2
101.02436	4.1
122.03719	8.2
147.04608	3.6
160.05258	6.5
161.06102	17.9
162.06783	4.8
172.05313	7.6
189.05582	76.7
190.06372	100.0
205.08725	81.6
219.06522	3.7
231.06610	6.1
249.07637	28.7
413.28506	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	485.2525
Annotation	Withametelin J
Peak:m/z	Relative Intensity
52.41361	1.2
53.64274	1.2
55.90994	1.3
55.92983	1.1
59.01375	2.8
68.00877	1.3
73.53158	1.3
88.98812	1.5
89.74176	1.3
93.03455	2.7
121.02953	9.8
122.86250	1.5
140.83231	1.9
148.01689	2.1
149.02449	27.0
150.00569	1.5
150.03233	7.4
153.01982	2.1
156.23535	1.6
163.04097	1.6
164.04723	2.1
175.00305	2.7
176.01135	25.2
177.01929	1.9
177.05482	2.2
186.98564	1.5
189.63528	1.6
191.03510	11.0
193.01422	2.2
194.02182	2.1
216.00470	2.9
229.98328	1.6
230.99097	2.5
249.18832	1.4
291.19418	7.5
403.24838	7.8
439.42029	1.6
470.22900	59.7
482.79675	1.7
485.25284	100.0
486.26123	2.1
499.56952	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45370	0.9
59.01403	4.5
61.53449	1.1
63.02705	0.9
71.01382	1.1
76.63349	0.9
85.02959	23.0
87.00893	6.8
92.10172	2.3
93.03472	1.7
109.02985	1.7
111.00887	5.1
111.04561	1.5
127.04012	9.6
151.77705	1.0
153.27769	1.0
167.14415	1.6
171.03003	1.1
173.04556	1.7
191.05626	100.0
195.13968	7.3
211.13589	1.1
293.21194	9.8
311.22314	77.5
421.73221	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	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73730	2.1
61.98816	3.3
62.46370	2.1
64.34129	2.4
65.52655	2.2
67.16039	2.6
108.94219	2.5
147.83781	2.3
165.12827	21.5
247.20642	15.5
273.18561	6.2
285.82104	2.5
291.19681	100.0
354.12137	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82112	0.6
58.29408	0.5
59.01391	11.2
69.66808	0.5
71.01367	5.1
73.02943	1.2
83.01402	0.6
85.02946	0.7
89.02456	4.8
101.02444	7.2
103.51527	0.6
103.97914	0.6
109.72690	0.6
113.02480	1.3
123.45238	0.6
161.04570	1.0
168.71835	0.5
169.82321	0.6
235.08266	1.1
249.18631	100.0
250.18860	0.8
253.09335	10.0
286.89548	0.6
305.62863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40112	0.5
54.82397	0.5
57.03455	9.8
59.01391	1.4
64.06001	0.6
71.01382	1.3
73.02937	4.2
82.03017	1.1
83.01395	1.1
84.04548	0.7
88.30743	0.5
89.02472	2.8
99.00897	2.5
101.02444	81.1
101.07199	0.7
102.44125	0.5
109.04102	1.0
126.01979	1.1
127.02320	0.8
127.05139	4.1
128.03531	2.6
144.03020	0.8
145.01433	100.0
145.06195	18.5
145.07265	1.1
146.04601	0.7
181.05713	0.6
191.05666	1.3
239.91463	0.6
302.05106	0.6
341.10892	0.9
345.84613	0.6
422.24289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
58.02979	20.7
59.01379	4.3
61.98856	1.0
66.03497	1.1
67.11708	0.8
68.67573	0.8
70.02972	1.3
71.01382	1.9
72.00904	2.2
74.02469	32.3
74.02857	1.9
74.17804	0.8
78.95924	1.7
80.36156	0.9
80.36617	1.0
81.04585	1.1
82.02989	5.2
83.05044	1.0
84.04549	1.0
85.02939	1.2
86.02482	15.5
86.06133	2.2
87.05637	7.2
88.04022	1.1
89.02446	1.3
92.05091	0.9
92.89285	1.0
94.06617	1.8
96.00926	1.7
96.96003	85.3
96.96967	3.0
96.99904	8.4
97.04064	5.5
99.05630	36.0
101.07170	5.2
102.05602	6.9
102.61913	0.9
107.06133	1.7
109.04060	6.0
109.07726	2.2
111.05653	2.1
112.04029	4.2
113.03557	2.1
114.01939	1.6
123.05622	4.4
124.04053	1.6
124.07645	1.2
125.02886	1.5
125.03629	2.1
126.03825	51.9
127.05106	4.9
128.03532	83.4
131.04594	5.6
135.05620	14.7
137.07207	4.0
138.92761	0.9
141.06699	6.0
143.04626	100.0
145.06187	5.5
146.04640	8.1
153.06694	4.7
155.08223	1.1
166.09816	5.1
167.04585	4.3
167.08257	4.6
179.03180	1.7
179.04604	26.4
181.06187	2.1
185.05679	1.3
192.07799	3.9
197.05652	4.1
207.51846	1.1
210.08846	19.7
212.07491	9.7
254.07843	31.2
272.08896	45.0
356.12885	8.4
467.16104	12.5
485.17050	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48056	0.5
55.01883	7.1
57.03453	0.8
58.00602	0.9
59.01384	39.5
59.84719	0.6
65.24921	0.6
71.01376	19.7
72.34724	0.7
72.99306	1.2
73.02948	1.6
73.78042	0.7
75.00873	0.8
76.76962	0.8
83.01389	6.7
85.02936	5.1
87.00864	1.3
89.02441	21.9
95.01382	0.9
96.96008	5.0
97.31732	0.8
98.95597	4.9
101.02438	24.5
113.02432	6.1
116.03757	0.8
116.60363	0.6
119.03484	6.0
145.07727	4.5
146.04832	1.6
159.09291	0.9
160.06435	20.6
161.07205	100.0
173.10760	0.9
175.08763	40.1
185.10870	1.3
187.08777	4.4
189.06702	93.9
201.10374	5.2
203.08286	25.3
203.11932	6.6
218.58797	0.8
227.31784	0.9
229.09845	17.1
241.09917	3.2
277.12158	0.9
305.11469	24.8
323.12381	4.1
485.17850	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.8
58.74031	0.6
59.11993	0.6
61.37672	0.6
65.81270	0.7
67.01888	2.9
74.98806	0.7
85.02973	0.9
87.00871	9.4
90.93362	1.0
98.23846	0.8
100.16234	0.7
111.00880	100.0
148.57286	0.7
173.00894	7.0
235.28780	0.8
275.70929	0.8
301.93301	0.8
311.22272	3.1
365.12790	1.1
381.22052	0.8
418.14804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05887	0.5
55.76217	0.6
56.51178	0.6
57.03454	1.6
59.01394	0.8
62.16138	0.6
67.01905	2.8
72.30080	0.7
87.00871	8.0
92.10075	1.2
109.21979	0.7
111.00883	100.0
114.66701	0.6
152.58211	0.7
173.00911	5.2
192.51282	0.7
217.68909	0.6
311.22534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18944	0.7
54.44636	0.8
54.82313	0.9
54.85679	0.7
55.24500	0.8
55.84191	0.7
58.00605	1.2
66.14887	0.8
71.01385	19.9
71.01721	1.1
71.82898	0.7
72.99318	1.6
75.40472	0.8
77.85220	0.9
84.02174	3.8
86.00114	2.1
87.92532	39.1
87.93063	1.4
88.98849	1.3
90.94901	3.5
96.96964	1.9
97.03020	1.2
99.00919	1.2
103.92036	39.9
104.92106	1.5
104.92816	33.0
105.93592	7.2
106.94399	1.9
111.00918	1.3
114.94888	6.1
123.94638	14.1
130.94366	15.1
133.10370	1.0
147.94666	1.8
156.95938	3.9
158.93893	6.3
159.89391	1.0
168.95972	1.4
171.94655	100.0
172.95398	5.8
184.95483	4.3
185.96103	1.5
197.96227	1.2
198.97003	0.9
201.92038	1.6
201.95721	34.0
214.96530	5.3
216.98123	4.0
231.96770	3.8
234.99055	1.0
249.97646	2.0
255.96666	2.0
257.98328	19.0
258.99142	1.4
262.21982	0.9
271.10123	0.8
271.96198	1.2
273.97729	6.9
274.98587	2.1
275.99326	1.5
287.99466	5.1
306.00360	3.4
321.99966	4.5
372.49292	1.0
373.99533	1.8
396.03592	29.6
410.01685	1.6
412.02881	8.0
484.01575	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	483.2732
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
54.82876	0.4
57.21375	0.3
57.26392	0.3
75.31339	0.3
78.95908	19.1
87.44966	0.3
92.10201	0.4
96.96954	2.6
98.73113	0.3
113.27625	0.4
152.99600	32.6
171.00656	2.0
196.12573	0.4
227.03204	3.8
230.57019	0.4
245.04344	1.4
255.23317	100.0
256.23807	0.5
274.29938	0.4
353.23874	0.4
413.73532	0.4
436.86407	0.4
439.34616	0.4
459.72739	0.4
483.27344	50.2
484.27893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2734
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.61049	0.3
56.85031	0.3
60.39573	0.3
74.80177	0.3
78.95898	9.0
78.96313	0.4
96.96960	0.5
112.56541	0.4
123.06409	0.3
152.99602	13.4
171.00659	1.2
227.03276	1.4
245.04312	0.6
255.23323	100.0
256.23676	0.7
367.86627	0.3
377.73703	0.3
483.27344	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	483.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.1
71.01382	1.0
78.95869	0.6
79.19330	0.6
80.05235	0.6
83.04991	0.6
83.27849	0.6
85.02946	20.9
85.03762	0.6
87.00880	6.2
92.10210	0.7
92.66132	0.7
93.03460	6.2
97.24384	0.7
109.02940	1.1
109.97836	0.7
111.04507	1.1
113.39036	0.7
127.03999	8.7
128.12286	0.6
137.02510	0.8
173.04570	3.1
181.12337	1.1
183.10271	0.8
191.05634	100.0
199.63623	0.7
211.13412	2.4
221.15327	1.0
247.20749	1.0
273.18777	0.8
281.21109	1.1
291.19672	11.4
309.20761	64.2
325.09793	2.7
483.26242	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	483.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.8
59.01385	5.1
69.90347	1.2
73.02964	1.2
78.95906	3.1
85.02948	12.1
87.00900	2.7
88.69990	1.2
89.07145	1.2
93.03468	2.0
125.09747	6.0
127.04053	1.7
152.99602	5.2
163.11287	5.3
165.12906	4.8
173.04549	1.7
181.12360	2.9
191.05644	45.4
192.01164	1.2
193.16083	2.7
207.10156	1.6
209.11903	4.7
223.13531	1.7
230.13774	1.2
247.20804	10.5
268.09204	1.2
273.18628	1.9
277.13452	1.2
291.19690	81.8
293.62039	1.2
309.10538	1.7
309.20767	100.0
317.14426	1.8
363.14883	5.0
423.16898	2.9
483.25134	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	483.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56807	0.5
56.24327	0.5
57.03461	0.9
59.01402	2.8
71.01405	1.1
85.02956	12.5
87.00866	5.0
92.10183	0.8
93.03466	2.9
111.00928	0.7
111.04525	0.7
111.08193	2.4
125.09695	0.7
127.04009	4.7
127.11226	1.1
138.80609	0.6
141.09213	0.7
151.11328	1.0
152.99603	0.6
153.12833	4.2
155.10822	1.2
167.10767	0.9
169.12325	0.9
173.04549	2.5
179.10796	0.8
179.14426	1.3
181.08687	0.9
181.12320	3.1
183.13887	2.9
191.05626	51.2
193.16016	0.8
197.11821	2.2
199.13383	1.4
202.17177	0.6
207.13876	2.4
215.12888	1.2
227.13004	0.9
247.20683	4.7
272.97241	0.7
273.18677	2.6
281.21344	2.1
291.16522	1.2
291.19675	26.4
297.06815	0.8
297.10126	0.6
309.20740	100.0
325.09735	3.1
405.84344	0.6
483.25928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	20.2
60.07943	9.1
61.98846	55.2
71.01398	11.3
72.99316	40.5
74.55582	8.2
75.00864	100.0
76.85096	9.6
78.95924	35.7
80.45393	9.0
82.95441	19.5
83.05008	10.7
87.00901	15.5
105.16585	9.8
114.45244	9.6
115.00393	20.4
117.01960	15.8
121.03046	10.7
125.09743	21.4
135.03003	72.4
142.99910	57.8
145.81789	9.7
151.11169	11.5
152.99580	51.5
165.12885	11.6
171.10306	16.0
175.02431	15.9
185.11819	15.7
189.09073	11.9
194.23009	10.1
225.11459	11.6
256.31866	10.2
259.20773	14.4
290.71613	10.9
291.19711	55.5
293.21371	14.6
303.19763	52.5
309.20700	62.8
321.20697	82.9
329.37451	10.1
347.18646	19.1
361.20215	11.5
365.19916	55.9
385.96738	10.7
423.20480	11.2
431.82327	10.4
465.21243	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	483.2371
Annotation	Segetalin B
Peak:m/z	Relative Intensity
59.01382	1.0
61.98832	0.6
78.95898	63.5
92.10718	0.5
94.29627	0.4
96.96947	8.3
119.05039	0.8
137.02431	0.4
150.98042	2.4
151.00433	0.9
152.99591	100.0
171.00630	4.2
211.13319	0.9
231.75238	0.5
271.05969	0.6
420.15009	0.5
483.23715	28.6
483.30688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.4
59.01383	3.6
59.01604	0.2
59.56530	0.3
65.72736	0.4
68.17773	0.3
71.01387	1.4
81.03465	0.4
83.05054	0.3
84.24549	0.3
85.02953	21.0
87.00870	7.5
93.03448	3.6
97.06599	0.3
99.04547	0.5
109.02985	1.7
111.04526	0.7
113.09731	0.4
115.07704	0.3
115.20142	0.3
125.06107	1.3
126.06852	0.3
127.04012	8.2
141.09177	0.4
143.07159	0.4
145.05084	0.6
147.16629	0.3
152.99541	0.3
154.13805	0.3
154.29895	0.3
155.03523	0.6
162.42261	0.4
165.12883	1.7
167.14424	0.7
171.03011	0.7
173.04549	3.4
181.12317	1.7
191.05638	100.0
193.12354	0.6
193.16223	0.3
195.13864	0.6
207.57510	0.4
211.13411	2.1
221.15427	0.4
221.89204	0.3
229.14362	0.3
240.13817	0.7
247.20633	1.7
265.21683	0.4
273.18588	1.6
281.21301	0.3
291.19684	16.7
309.20758	67.2
352.11392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13913	0.1
57.03456	3.0
61.12441	0.2
61.98849	0.2
67.01884	4.5
78.95905	0.2
85.02934	0.3
86.25521	0.2
87.00867	4.1
111.00878	100.0
112.01156	0.2
154.99765	0.2
159.00960	0.2
173.00926	4.3
211.46660	0.2
217.39937	0.2
257.17969	0.2
309.20511	0.3
318.90677	0.2
483.22733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
61.98843	0.2
67.01889	4.3
67.80386	0.2
69.90427	0.2
72.67841	0.2
82.95377	0.3
85.02955	0.5
87.00872	7.9
89.44175	0.2
92.10813	0.4
96.96013	3.1
97.50182	0.2
111.00886	100.0
149.12233	0.2
154.99889	0.4
173.00928	5.9
183.10226	0.2
291.19727	0.3
309.20792	1.2
349.13095	0.2
388.85019	0.2
405.77353	0.2
477.34024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18482	0.2
56.35863	0.2
57.03453	2.8
63.21488	0.2
67.01899	4.5
67.41382	0.2
85.02969	0.3
87.00863	1.9
101.88863	0.2
103.53241	0.2
111.00885	100.0
112.01213	0.3
146.88889	0.2
154.09639	0.2
163.32889	0.2
173.00902	4.4
268.76230	0.2
483.22321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82837	0.3
59.01389	1.5
61.98832	100.0
65.71644	0.2
71.01375	0.3
74.92433	0.3
75.24350	0.2
85.02956	0.4
98.42487	0.3
120.99706	1.0
183.10248	1.1
184.10603	0.5
202.27814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18406	0.1
56.70090	0.1
57.94373	0.1
59.01388	0.3
59.31084	0.1
71.01385	0.1
78.95908	3.8
79.95746	1.5
89.28746	0.2
94.98141	0.2
96.96014	100.0
96.96908	6.5
100.05309	0.1
211.77498	0.2
291.13208	0.2
392.51904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
59.48834	0.2
61.98827	0.4
71.01388	0.6
78.95917	2.5
79.95734	1.7
89.02428	0.4
94.98125	0.3
96.96013	100.0
96.96895	3.9
99.13171	0.2
130.74245	0.3
411.13617	0.3
483.20712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24811	0.3
60.99310	20.9
69.34492	0.4
75.87400	0.4
82.95441	0.4
87.00874	0.7
88.98801	100.0
89.02435	4.6
92.10172	0.8
93.93961	0.5
96.96006	3.5
102.97798	0.4
109.75515	0.4
142.18248	0.4
159.49635	0.4
201.22659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26639	7.5
55.27092	6.9
57.03469	10.9
58.10819	7.9
59.01385	15.0
68.92293	7.3
78.95900	72.0
87.17896	10.7
92.10772	17.1
115.37858	8.1
124.58758	8.1
152.99620	100.0
189.60414	8.2
192.67400	9.1
192.93033	8.2
211.13420	46.8
322.63037	8.9
483.20358	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	483.201
Annotation	Unknow
Peak:m/z	Relative Intensity
72.62762	14.6
78.95908	61.1
93.26674	18.1
106.77641	17.3
145.67949	14.9
151.04012	20.2
152.99605	94.0
183.25687	15.9
211.13423	100.0
445.48007	16.8
466.40445	18.6
483.19644	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	483.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
59.01371	0.2
60.59442	0.1
67.01892	4.1
83.01365	0.2
85.02953	1.2
87.00871	7.7
91.27456	0.2
92.10823	0.3
96.41848	0.2
111.00883	100.0
129.01955	0.2
145.55452	0.2
154.99837	0.3
173.00908	5.5
208.29964	0.2
224.68823	0.2
291.19653	0.6
309.20688	1.1
326.11935	0.3
446.19601	0.2
483.22482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2212
Annotation	Dulciol C
Peak:m/z	Relative Intensity
57.03460	1.3
57.77726	0.6
59.01393	0.8
61.98826	1.2
62.38428	0.6
64.62829	0.6
64.92757	0.6
71.01378	0.9
75.34814	0.6
78.95901	72.0
85.02962	9.7
96.96960	8.4
111.00886	1.5
128.77278	0.7
129.01947	2.8
133.02858	0.9
134.03702	0.7
150.98053	1.3
152.99593	100.0
171.00652	4.4
189.05605	1.1
205.03448	0.9
299.10809	0.7
475.96826	0.7
481.22165	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	481.2212
Annotation	Dulciol C
Peak:m/z	Relative Intensity
50.45589	0.4
57.03447	3.9
59.01391	2.4
61.98843	2.0
65.80447	0.4
71.01395	1.2
73.02960	0.5
78.95904	64.0
83.01389	1.9
85.02953	13.7
96.96960	9.8
111.00893	3.4
111.89252	0.5
125.02482	2.0
129.01968	5.5
133.02942	0.7
134.03743	0.8
140.87961	0.5
150.98077	2.3
152.99591	100.0
161.02350	0.6
171.00713	2.5
205.03564	3.1
223.04620	0.8
234.61568	0.6
373.62393	0.6
481.22162	24.8
507.29065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40931	0.9
78.95901	58.9
91.80705	1.0
96.96973	4.7
119.14327	0.9
152.99591	80.7
171.00648	26.2
207.79301	1.2
215.86122	1.2
227.03217	2.5
245.04318	100.0
253.21741	52.8
256.77686	1.2
260.75662	1.1
309.66568	1.1
415.05917	1.2
481.25769	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48642	1.4
56.99044	1.5
57.03454	2.2
58.00627	2.4
59.01385	100.0
61.98846	4.2
69.84689	1.6
71.01382	43.3
72.99324	2.5
73.02934	2.1
75.00894	2.5
79.25768	1.6
83.01403	2.4
85.02987	8.5
87.00875	3.1
89.02443	45.0
96.96043	11.6
101.02443	19.3
111.66073	1.8
113.02453	14.7
113.25863	1.8
119.03502	14.2
119.05030	3.3
121.02977	2.4
134.03728	15.8
136.01669	37.6
141.99170	1.8
149.06084	8.6
151.04010	24.2
161.04570	2.5
163.03923	3.5
175.00510	1.8
179.05624	6.8
197.06131	2.4
209.06111	12.0
217.51871	2.1
225.05637	11.2
236.04771	2.5
237.05557	35.9
238.06310	8.0
251.07050	3.7
252.07927	27.2
253.05066	23.6
253.08665	2.4
256.81360	1.8
259.15518	2.7
268.07416	27.1
283.09793	46.7
285.43735	2.0
293.04550	7.3
294.04865	3.4
298.07504	2.0
311.05536	3.0
369.60379	7.2
421.20966	7.6
460.42499	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	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.2
59.33429	0.3
69.74937	0.4
71.01384	0.7
89.02438	0.9
125.02452	0.6
134.03735	0.6
136.01634	3.5
141.66095	0.4
151.04005	2.2
160.64915	0.4
185.06058	2.1
195.04523	1.6
197.06090	0.7
212.04756	2.0
213.05605	16.9
223.03990	2.9
224.04741	0.7
240.04295	0.5
241.05074	87.4
242.05270	0.8
256.07425	56.2
257.07782	0.8
271.09775	100.0
272.10153	2.7
293.08731	0.4
319.11877	17.7
347.03168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36949	0.3
55.41793	0.3
57.03460	0.9
59.01377	5.6
61.72847	0.5
61.98842	0.4
62.66678	0.3
71.01398	2.7
72.99335	0.3
85.02946	5.2
89.02461	1.8
99.92603	0.4
101.02442	0.8
103.04281	2.4
106.05924	0.8
106.06635	19.6
106.07343	0.8
110.02509	3.3
111.00907	0.6
111.03320	0.6
113.02444	1.6
118.06618	10.8
118.07373	0.6
119.05060	0.4
120.04571	0.8
120.08210	0.5
122.06136	1.8
129.01961	0.8
132.89622	0.4
134.06126	100.0
136.04033	0.7
136.07684	16.3
140.07188	6.7
145.02991	0.4
146.06171	0.4
148.07701	0.5
162.05627	1.9
164.07140	1.6
174.05545	0.8
178.05103	39.9
180.05130	0.8
180.06674	16.2
192.06693	15.7
194.08215	1.7
205.03487	0.9
220.06190	12.4
222.07724	2.4
250.07233	0.8
253.95255	0.4
280.08255	4.6
340.10403	14.2
444.45761	0.4
481.18985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60546	0.9
56.60255	1.0
58.86524	1.0
59.01389	6.0
67.14157	1.2
71.01379	4.8
75.00866	1.7
92.10816	2.6
95.09146	1.1
96.96007	2.9
116.92755	1.2
121.02972	1.4
121.04890	1.2
134.03719	6.4
136.01668	15.0
148.88577	1.4
151.04001	8.9
184.68637	1.1
185.06018	1.4
213.05609	16.3
223.03969	1.8
224.04688	1.3
240.04353	4.7
241.05081	84.9
255.06569	1.5
256.07443	60.6
271.09787	100.0
292.89148	1.3
306.35364	1.5
307.32129	1.2
319.11917	20.8
464.49243	1.3
479.95529	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	480.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13457	0.1
54.82678	0.2
60.51924	0.2
61.98835	100.0
65.22876	0.1
70.22649	0.2
76.47147	0.1
117.03480	1.4
119.04987	0.7
145.02959	10.8
163.03951	0.3
240.03287	0.2
243.36870	0.2
270.45749	0.2
271.22815	1.1
283.26492	0.9
303.44592	0.1
417.26471	6.0
480.29843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39929	1.5
53.82459	1.6
55.01889	8.4
55.25322	1.5
56.60073	1.7
57.03449	33.8
57.48146	1.5
59.01379	6.5
61.98825	11.9
67.01859	1.6
71.01380	10.7
72.76389	1.4
72.99306	9.7
73.02930	2.1
78.95901	28.8
83.01389	14.8
84.25257	1.7
85.02947	100.0
96.96993	2.1
99.00879	1.7
101.02457	2.6
111.00889	25.9
116.92815	2.6
119.04993	2.4
121.02932	3.1
129.01938	39.8
133.02945	10.1
134.03740	20.4
135.04536	3.3
137.02449	11.4
139.04037	1.6
146.74783	1.6
148.05280	1.8
150.03253	2.4
152.99576	39.3
159.68710	2.2
161.02417	10.5
161.06087	2.5
177.01918	2.4
178.02747	17.7
179.03419	3.0
182.27136	1.8
189.05579	21.4
203.03555	2.2
205.03580	22.0
223.04614	7.0
223.85622	1.9
256.17822	1.6
275.09113	2.1
340.07968	10.8
384.07309	5.4
403.11823	2.4
433.16660	4.1
451.17340	2.4
481.22018	12.8
483.74167	1.8
501.26657	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40916	0.2
53.47887	0.2
55.80072	0.2
59.01386	3.5
60.01709	0.3
60.56218	0.2
61.01811	0.3
61.98832	100.0
71.01374	0.4
73.02915	0.2
82.74844	0.2
83.86452	0.2
89.02473	0.2
92.10166	0.4
96.95969	0.2
101.17313	0.2
107.43038	0.2
108.86146	0.2
110.18871	0.2
112.67665	0.3
121.02937	0.3
128.77875	0.2
166.06380	1.9
167.06654	1.4
168.06862	0.5
181.08780	1.9
182.09010	1.2
183.09000	0.2
271.41785	0.3
420.18854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16440	0.1
50.99261	0.1
61.98833	100.0
87.36347	0.2
117.03469	0.8
119.05034	0.2
128.21906	0.2
130.84189	0.2
145.02954	4.7
153.07954	0.2
241.01154	0.2
259.81750	0.2
271.22668	0.3
417.26559	2.9
456.17221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93808	0.6
54.12337	0.7
55.69833	0.7
59.01382	5.8
61.98835	15.2
62.87402	0.6
65.64960	0.7
65.83126	0.6
67.05203	0.6
70.50512	0.7
71.01392	1.6
71.66006	0.7
72.99321	1.3
79.21028	0.7
87.41776	0.7
88.98840	1.0
94.23815	0.7
101.02460	0.8
106.28818	0.7
107.66956	0.8
108.70836	0.8
120.01248	100.0
126.66402	0.7
133.16147	0.7
137.94942	0.9
152.99576	0.7
162.94757	0.9
166.06474	0.9
171.10237	1.2
172.10587	1.0
341.95013	0.7
359.51529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.6
57.03454	100.0
59.01386	93.8
61.98832	51.9
71.01388	30.4
72.99287	3.3
73.02961	11.6
75.00877	2.3
75.36297	2.5
83.01363	3.3
83.36514	2.4
85.02962	15.7
88.98802	3.8
89.02461	13.5
92.10164	3.6
96.95998	5.7
99.00836	3.5
99.04520	56.7
101.02449	43.4
111.00901	2.4
113.02448	14.1
114.38826	3.0
125.02488	24.0
161.04573	13.0
165.05618	4.7
179.05490	4.8
269.08276	4.1
313.10913	3.3
335.17172	29.1
377.18103	11.1
479.21637	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	479.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18219	0.6
54.50977	0.6
55.01880	1.4
57.03464	2.9
59.01383	14.6
59.01657	1.1
61.98836	1.6
71.01374	7.9
71.05017	4.6
71.05360	0.6
73.02961	1.2
82.58726	0.7
83.01385	0.9
85.02959	3.1
89.02428	9.3
92.10811	1.7
93.03484	0.9
95.01363	0.9
95.05020	0.9
97.02948	5.2
97.06594	1.7
99.00878	19.5
101.02442	9.9
109.06595	2.9
110.03741	1.3
113.02447	3.3
119.03493	1.7
119.04999	0.9
125.09708	10.6
135.08170	0.7
137.02495	1.7
142.02687	1.4
155.14500	1.2
161.04520	1.3
161.09738	1.0
163.11288	14.1
171.10275	21.1
179.10826	1.1
181.12367	22.3
197.11911	1.0
199.13420	20.0
207.10281	48.6
217.10809	0.8
225.11343	69.6
243.12381	35.7
243.14917	1.3
253.09286	5.9
281.07034	0.8
349.68802	0.7
395.12781	0.7
461.20505	0.9
479.21426	100.0
480.21466	1.6
498.81454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82742	0.2
55.01879	0.4
57.03464	0.3
58.83091	0.2
59.01382	15.6
61.33157	0.2
61.98840	0.4
69.03462	0.3
71.01376	3.3
73.02958	1.5
82.73212	0.2
83.01408	0.9
83.05036	0.2
85.02962	1.2
87.00859	0.2
89.02441	3.6
95.01352	0.3
99.00869	1.9
101.02442	4.1
109.06586	1.0
113.02437	2.2
113.15933	0.2
119.03487	1.0
127.07674	0.3
135.04532	0.2
136.01682	0.5
137.02397	0.4
137.09741	0.9
139.07585	0.3
139.11296	3.9
143.03479	0.2
148.05353	1.4
151.03990	0.8
153.29626	0.2
155.10806	7.3
161.04594	1.2
165.09245	0.4
179.05547	0.3
180.04248	0.5
181.12315	0.9
183.10275	100.0
184.10593	0.9
192.87642	0.3
199.13414	1.3
207.10321	1.1
216.95647	0.2
225.11314	1.8
235.08331	0.3
243.12343	1.1
253.09343	10.1
253.12035	0.4
299.12863	3.4
317.13879	1.5
317.83737	0.3
419.19235	3.7
479.21405	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	479.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27310	0.6
51.97010	0.7
52.32766	0.7
53.53527	0.7
55.01882	3.7
55.14725	0.7
57.03455	1.5
59.01382	30.8
71.01376	11.1
71.05026	2.3
73.02936	3.8
73.67057	0.8
78.08787	0.9
83.01395	1.5
85.02956	3.9
87.00893	1.6
89.02426	13.5
97.02940	3.7
97.06565	2.2
99.00871	18.0
101.02436	12.2
102.07676	1.0
106.15517	1.0
109.06553	1.1
113.02440	3.9
119.03512	3.6
119.95742	0.8
122.38331	0.9
123.08102	1.0
125.09750	8.6
135.08044	0.9
143.03532	1.2
161.04564	1.3
161.09731	1.2
163.06119	4.4
163.11295	11.4
171.10275	11.5
181.12352	26.3
186.09230	1.0
190.49672	0.8
194.91780	0.9
199.13412	20.4
205.07138	2.2
207.10300	47.5
225.11345	66.7
243.12372	31.5
253.09369	3.7
275.69910	1.1
419.19302	8.8
423.80038	1.0
479.21423	100.0
480.21762	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	479.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13126	0.4
55.56051	0.4
57.03433	0.4
59.01382	2.3
61.98848	1.0
63.58533	0.3
71.01383	2.8
85.02936	0.5
86.02494	0.4
92.10733	0.6
108.02164	0.7
109.06554	0.5
116.92859	2.4
119.05034	2.3
120.01241	0.6
121.02963	2.8
122.03741	1.8
125.02415	0.6
127.08758	0.7
128.03529	7.5
130.21251	0.4
134.06104	0.4
136.01646	7.3
136.05217	0.7
137.02432	3.0
147.04489	1.0
151.03989	5.5
152.04781	0.5
153.01936	6.5
154.02721	4.8
155.03426	0.6
160.74132	0.4
162.03246	0.6
162.62294	0.4
164.04799	2.4
164.15569	0.4
165.01950	2.6
165.05563	11.7
166.06339	4.9
168.04236	0.9
171.07736	1.8
179.03499	11.7
180.04295	8.6
181.05078	2.8
181.08743	0.7
183.02975	0.7
183.10246	0.7
193.05000	1.0
198.05356	4.6
207.10246	0.5
225.11403	0.7
229.08694	0.6
249.05499	4.5
271.09756	0.9
287.09192	2.3
295.25592	0.5
302.11615	7.8
317.13959	100.0
441.09134	0.5
479.19086	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59064	0.5
55.01878	1.0
57.03456	0.9
59.01388	11.4
59.97618	0.4
60.01717	0.5
61.98841	0.6
71.01385	6.2
71.05023	3.1
73.02964	0.8
77.63612	0.5
78.55704	0.5
83.05038	0.7
85.02943	1.3
87.00893	1.0
88.18894	0.5
88.90049	0.5
88.98809	1.3
89.02467	4.2
96.19893	0.6
97.02938	5.4
97.06595	3.5
99.00875	27.3
101.02438	5.5
109.06596	0.6
110.03781	0.9
113.02433	3.9
114.38825	0.5
123.08142	0.9
125.09727	10.5
135.08151	0.6
161.04556	1.1
163.11322	7.3
171.10315	3.5
181.12343	21.3
183.10292	1.3
197.11839	2.1
199.13431	6.6
207.10297	37.2
218.33096	0.6
224.70679	0.6
225.11348	60.8
230.96429	0.6
243.12389	41.6
253.09386	3.9
307.24942	0.5
317.10361	0.6
479.21378	100.0
480.21628	1.3
497.92908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1559
Annotation	Paeoniflorin
Peak:m/z	Relative Intensity
52.81047	0.9
53.95499	1.0
57.03467	1.6
59.01393	12.1
60.12247	0.8
60.99318	0.9
61.98841	1.5
62.89938	0.9
67.01909	2.3
71.01391	6.2
73.02943	1.1
79.59539	0.9
83.01365	1.6
85.02916	1.2
88.98797	7.0
89.02432	2.1
95.01378	3.8
95.19803	1.0
101.02423	4.3
108.02173	38.9
109.02966	6.1
111.00883	6.5
113.02485	1.1
121.02951	5.3
123.00884	51.5
123.04516	28.9
124.01660	26.6
125.02447	2.1
135.00845	1.5
137.06053	10.6
139.00317	1.8
147.00894	10.3
148.01610	9.0
149.02373	1.1
153.05569	4.2
162.03258	6.6
163.03975	11.1
256.03659	1.7
257.04562	4.8
271.06168	5.1
272.06903	29.7
286.08646	3.5
287.09259	100.0
317.10303	81.0
435.70328	1.1
449.14624	1.8
479.15753	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	479.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.2
61.98829	2.4
65.65851	1.3
67.74103	1.5
71.01391	5.4
72.54633	1.3
73.02901	1.5
75.00887	1.3
78.95911	5.8
89.02434	3.1
101.02447	2.6
106.06628	100.0
113.02463	2.1
116.05050	8.3
118.06639	2.8
134.06148	2.4
138.05630	9.5
140.07214	2.4
144.08217	8.3
150.05630	36.7
152.99582	10.4
157.09000	1.6
158.09753	7.0
164.07179	9.2
167.05869	2.8
170.09755	10.1
184.11353	7.3
186.12892	40.9
192.06593	2.2
200.07198	2.6
201.07986	7.6
215.09543	6.9
225.06712	6.1
226.07544	16.8
228.10298	9.3
229.11057	3.4
230.11855	33.2
237.10419	2.7
239.08307	16.6
240.09039	7.7
244.13513	2.7
254.10611	20.1
255.11409	49.9
256.09741	9.9
267.70547	1.6
269.36877	1.6
273.12473	11.7
274.10876	51.0
299.10336	19.8
304.54453	1.8
313.11905	2.2
316.11984	13.0
317.11478	39.8
327.87003	1.5
341.11511	7.7
356.10074	3.1
359.12543	3.0
411.18710	1.6
436.16101	2.4
461.15707	10.6
479.11148	1.5
479.16791	41.5
479.23895	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	478.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95893	5.4
89.92337	0.4
96.32098	0.4
109.26299	0.5
112.23336	0.4
116.68267	0.4
139.02376	0.4
140.01234	2.3
162.22302	0.5
179.91794	0.4
196.03813	0.6
214.04840	2.2
281.24869	100.0
282.25204	2.1
302.43622	0.4
451.03195	0.6
478.29449	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	478.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82415	0.4
56.28135	0.3
62.14897	0.3
63.89615	0.4
77.99995	0.4
78.95897	19.0
79.83348	0.3
87.75911	0.3
133.40781	0.4
140.01175	5.8
150.70164	0.4
152.99599	1.8
153.05623	0.4
174.80753	0.5
196.03824	7.8
198.91116	0.4
201.14011	0.4
214.04868	1.0
231.37164	0.4
242.84186	0.4
260.11478	0.4
281.24878	100.0
282.25229	1.8
362.45554	0.4
384.80228	0.5
398.57535	0.5
462.00369	0.4
478.29456	23.7
479.30222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	98.3
63.30346	2.7
67.56158	2.5
69.03468	6.6
71.01381	96.3
73.02945	7.2
73.67843	2.4
75.00887	2.4
78.03046	2.8
78.95905	4.3
79.44386	2.5
79.56188	3.1
79.83095	2.8
81.03446	3.4
83.01385	4.0
85.02949	6.4
89.02441	100.0
92.10740	3.2
96.96005	89.6
96.96971	12.1
97.02959	24.5
98.95578	3.2
99.00882	19.5
101.02434	14.9
113.02451	13.3
115.04031	7.0
125.02438	55.8
131.03487	6.0
140.76845	3.1
143.03470	3.1
147.73483	3.5
149.04556	12.9
161.04559	3.9
191.05656	4.0
212.56889	3.2
233.06630	31.0
281.22928	2.9
293.08878	88.7
357.74207	3.2
381.16013	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	478.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21743	0.2
59.01374	0.6
61.25966	0.2
61.57127	0.2
61.98845	2.0
62.32261	0.2
71.01384	1.4
79.95734	1.3
90.31799	0.3
96.96011	100.0
97.94611	0.3
101.02447	0.4
116.92860	0.4
128.07281	0.3
146.08250	3.4
160.71799	0.3
174.16235	0.3
380.15698	5.0
403.66748	0.3
452.14453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43857	0.4
51.67136	0.4
59.01390	8.5
61.98839	100.0
62.86306	0.5
67.58582	0.4
71.01379	2.6
87.00906	0.7
88.68753	0.5
88.98813	1.0
89.02446	2.2
89.50578	0.5
101.02423	1.0
103.71163	0.5
113.02486	1.0
120.01285	0.6
121.02853	0.5
128.84900	0.6
140.80034	0.5
181.12302	0.5
189.87238	0.5
240.05551	0.5
328.85327	0.5
363.26248	0.6
404.32953	0.6
418.21594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82578	0.3
55.14215	0.2
59.01384	5.7
60.01727	0.3
61.98835	100.0
63.02571	0.2
63.33168	0.2
65.86356	0.2
71.01390	0.5
75.00871	2.3
85.02927	0.2
89.02427	0.3
92.10183	0.8
101.02431	0.4
139.49548	0.2
145.02968	0.2
146.03726	0.9
147.04066	0.5
162.06448	0.5
164.04846	0.6
165.05104	0.5
170.47784	0.2
175.09724	0.5
179.07162	1.9
180.07533	2.1
181.07532	0.3
343.13910	0.3
344.14352	1.1
418.18277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
57.03434	0.2
59.01385	2.3
60.01686	0.2
61.98833	100.0
71.01400	1.3
72.01743	0.2
72.67709	0.2
73.02935	0.2
75.74171	0.2
85.02927	0.3
101.02450	0.8
102.02826	0.2
113.02448	0.4
123.82677	0.2
136.55316	0.2
161.04546	0.2
194.65709	0.2
269.10223	0.3
270.10742	0.3
271.10846	0.2
272.11212	0.2
417.16629	0.4
418.17209	1.3
429.51541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32087	1.5
52.94921	1.7
54.01925	1.4
59.01385	28.4
65.73975	1.7
68.35152	1.9
71.01379	14.8
73.02969	2.5
84.93732	2.0
89.02478	2.5
92.10118	8.0
93.52626	1.8
101.02470	3.1
108.18953	1.9
110.13712	2.0
116.92905	1.7
216.23659	2.0
225.35098	1.9
239.23819	2.2
255.23328	75.9
267.23395	2.2
269.24899	100.0
277.37894	1.9
279.23358	7.5
297.24371	12.8
313.23840	3.4
327.25818	2.7
367.27414	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	477.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89449	1.9
59.01377	21.5
71.01395	13.7
73.02959	2.6
80.53248	2.0
94.04595	2.1
100.20254	2.0
101.02465	2.3
113.02465	3.7
156.64664	2.6
239.23781	4.5
255.23325	83.3
267.23297	3.1
269.24902	100.0
269.54688	2.4
279.23257	4.6
297.24231	15.4
465.49554	2.3
485.43298	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	477.263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80226	72.4
61.98845	93.8
72.64998	86.9
78.16712	94.2
114.91702	83.2
154.37750	88.4
485.50311	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	477.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34561	0.5
65.00330	5.1
66.31813	0.5
67.01928	0.6
71.07655	0.5
77.45105	0.5
90.01572	0.6
91.01909	3.2
92.27149	0.5
93.03455	18.1
105.03486	0.7
113.25539	0.5
119.01373	9.0
121.02956	27.8
131.01396	4.6
134.03752	11.0
135.04514	2.9
137.02441	3.0
147.00891	20.2
148.01587	0.8
149.02449	40.4
150.03246	6.0
151.00327	0.7
151.03987	1.1
152.01132	3.5
153.01938	2.7
163.04028	6.2
164.04825	8.2
164.40150	0.6
165.01932	7.0
169.04982	1.0
175.00352	8.4
176.01096	0.8
177.01949	3.8
177.05579	1.2
178.06329	3.0
190.02698	5.7
191.07175	1.1
193.01485	4.8
194.02155	2.4
205.05058	8.9
208.03734	1.2
220.11081	0.8
223.06110	8.7
224.06255	0.7
249.07666	1.2
255.23286	6.0
256.61322	0.7
263.09180	2.3
271.22833	5.5
277.10828	2.4
291.12512	2.6
295.22787	1.3
305.13745	2.1
319.15485	1.0
333.17117	2.9
342.12390	0.6
347.18576	2.7
360.19376	2.9
361.20264	3.3
366.10779	0.7
375.21625	4.6
385.23807	1.1
389.23526	2.5
403.24753	1.1
445.26251	4.1
447.23923	10.3
461.25159	0.6
462.26279	41.7
477.28619	100.0
478.28946	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	477.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33670	0.6
54.82524	0.6
59.01402	0.6
62.90978	0.7
65.00336	3.7
67.61975	0.7
71.01372	0.7
77.58538	0.7
82.98452	0.7
85.83077	0.6
91.01896	3.7
93.03453	14.2
111.41850	0.7
111.90435	0.8
119.01389	12.9
121.02958	26.8
130.92708	0.8
131.01375	3.0
134.03748	1.3
135.04535	1.8
137.02463	1.4
147.00906	26.4
148.01649	1.2
149.02449	30.3
149.03604	1.3
150.03215	1.6
151.00360	0.7
151.04059	0.8
152.01138	1.8
153.01930	1.1
161.02458	1.2
163.04070	7.1
164.04799	7.9
165.01929	10.5
175.00363	26.8
176.04839	0.7
177.01990	1.3
178.06380	2.8
190.02737	57.2
191.03464	1.4
191.07159	3.4
192.00650	0.7
193.01395	5.4
194.02238	1.0
205.05083	78.9
208.03810	1.3
221.92317	0.8
223.06181	4.1
225.22269	0.9
249.07903	0.8
255.23369	3.5
263.09222	1.7
269.24927	3.6
271.22812	18.9
277.10901	2.9
291.12579	1.1
295.22748	1.7
305.13977	1.3
319.15558	3.1
333.17072	1.5
346.18060	1.1
347.18713	1.1
360.19211	1.1
361.20288	3.5
372.76529	0.9
375.21887	3.7
389.23224	2.9
403.25140	1.7
445.25851	1.7
447.23932	16.0
462.26346	26.0
477.28665	100.0
478.29001	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	477.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38732	1.5
57.03453	3.7
59.01384	51.6
59.01646	2.2
60.99302	16.5
61.98850	11.9
71.01399	4.3
72.99323	4.4
73.02935	1.9
88.89079	2.0
88.98813	100.0
88.99343	3.5
89.02469	10.8
101.02458	4.4
105.58968	2.0
106.19456	2.1
110.69155	2.0
113.02490	3.3
128.03542	8.6
139.76826	1.9
140.14366	1.6
161.04599	2.5
161.06010	2.3
164.81519	2.1
249.05469	3.6
416.61951	2.3
417.25229	2.8
477.19940	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	477.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42475	0.7
57.03440	0.9
59.01386	7.4
71.01401	1.4
71.05059	1.1
79.37873	0.8
80.02689	4.4
81.03452	1.3
83.05024	8.2
84.02164	10.8
97.06593	1.3
101.02418	1.0
102.22124	0.9
102.29610	0.9
106.06647	4.8
107.06967	1.0
116.92870	1.0
119.05033	1.2
141.09276	1.4
147.04596	1.8
150.05609	1.6
153.12848	2.1
163.11301	9.6
165.12907	3.0
181.12352	1.4
191.05583	1.8
191.10759	1.8
193.12192	1.3
203.10515	1.9
209.11874	100.0
219.10022	3.8
220.07469	4.6
221.11751	6.4
223.12004	1.1
227.12918	20.2
231.10019	18.5
241.31201	0.8
247.09457	1.4
249.11238	73.0
281.37430	1.0
289.07947	1.0
477.24731	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	477.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
59.01381	31.5
60.99319	13.4
61.98837	6.0
67.07745	0.9
71.01364	10.0
72.99329	1.1
73.02949	2.6
81.93352	1.0
82.03000	1.4
84.02190	2.1
85.02962	4.5
86.02467	14.7
87.00882	2.3
88.98797	63.3
89.02435	10.9
92.02248	1.0
92.10160	2.2
96.96004	1.2
101.02464	6.5
102.98602	1.1
109.17088	1.3
113.02467	4.7
120.01222	12.6
123.04524	1.8
124.59587	1.2
127.05161	4.6
127.08779	12.7
128.03531	100.0
153.06721	4.9
161.04504	2.4
171.07756	38.4
201.47856	1.4
209.11842	29.4
215.06773	2.0
227.12843	1.5
231.04430	7.5
249.05534	56.3
294.38058	1.2
405.21521	1.2
413.71030	1.3
417.21036	14.5
449.47433	1.2
461.24109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67540	0.4
59.01382	53.8
71.01386	3.2
73.02978	0.6
85.02957	0.8
89.02441	4.0
92.10777	0.7
95.01419	0.5
96.95986	3.3
101.02431	2.5
113.02448	1.8
116.92869	0.6
119.03467	1.0
121.17425	0.5
123.33229	0.5
135.04504	1.1
139.09860	0.5
147.04521	1.8
161.04526	0.5
161.06033	0.8
163.40314	0.5
179.05598	0.6
180.06340	0.6
180.07935	18.0
192.07948	31.9
193.08665	3.1
194.09511	12.2
195.10265	7.2
203.85649	0.6
207.10286	21.0
209.11859	2.5
210.08994	8.9
219.10214	0.8
220.13298	0.5
222.09021	10.9
225.11330	13.8
227.03549	0.6
235.09801	0.7
237.11331	28.9
238.11699	0.7
240.10048	3.3
243.03006	3.0
255.12399	100.0
256.12592	1.1
271.02567	1.8
299.02063	7.2
300.02808	0.9
314.04300	3.6
417.21725	0.8
473.61432	0.6
477.10260	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	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
55.45953	0.4
57.03456	2.8
57.30982	0.4
59.01381	18.4
60.99314	2.6
61.98833	1.1
64.25509	0.4
69.03452	4.8
71.01387	8.9
71.05023	2.0
72.26847	0.5
72.99301	0.7
73.02925	1.2
75.00876	0.8
78.87489	0.5
79.82584	0.5
83.01391	0.7
85.02963	3.4
87.00894	2.5
88.98802	14.6
89.02444	6.6
95.01417	0.8
97.06569	0.5
99.00913	0.6
99.04545	1.2
101.02444	8.9
108.02167	0.7
113.02443	4.0
115.00381	1.3
119.03486	1.3
123.08189	0.7
125.02416	0.6
125.09703	3.2
128.57494	0.5
135.03024	0.9
151.11252	2.5
153.12845	2.3
158.49490	0.6
161.04509	2.0
161.09744	3.7
162.03239	0.6
175.02452	1.2
179.10753	6.8
197.11841	100.0
223.09775	1.2
231.11134	0.5
241.10834	8.0
253.09297	3.3
257.09271	0.7
258.09732	0.7
271.02502	3.1
299.01917	2.3
315.05283	0.9
315.08762	1.0
359.11285	0.9
359.17068	0.7
365.62994	0.6
391.35828	0.6
441.18689	0.6
455.24863	0.6
477.19818	93.8
478.20001	1.2
485.00659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77483	0.8
53.99052	0.6
60.36776	0.6
70.74817	0.8
78.34097	0.6
78.95901	100.0
96.96951	10.5
108.14661	0.7
116.56300	0.8
139.92032	0.7
152.99597	13.2
164.83591	3.7
171.00655	17.7
184.54391	0.7
242.30377	0.7
307.55875	0.8
378.80417	0.7
402.24261	1.2
458.11771	0.9
476.27914	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.38481	0.1
54.46433	0.1
54.60497	0.2
59.01385	0.2
59.15481	0.1
61.98854	0.1
65.83475	0.2
69.85248	0.2
73.27566	0.1
78.95901	6.2
121.58971	0.2
140.01190	2.4
152.99596	0.7
154.22679	0.2
196.03801	0.8
214.04890	2.3
261.22266	0.6
279.23312	100.0
280.23547	1.7
347.12344	0.2
396.69846	0.2
476.27878	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	476.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98858	0.4
70.36614	0.3
71.83759	0.3
78.95900	23.4
92.49727	0.3
116.75774	0.3
122.00166	1.6
123.23135	0.3
140.01180	6.6
152.99635	1.7
163.92888	0.3
194.85925	0.3
196.03810	8.7
214.04903	2.0
261.22345	0.4
279.23315	100.0
280.23630	0.6
324.92294	0.3
366.53760	0.4
476.21536	5.3
476.27798	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	477.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88711	0.5
55.37166	0.5
57.19773	0.6
59.01376	9.0
59.01599	0.5
71.01388	2.5
76.23228	0.5
87.00876	1.0
89.02451	1.2
96.96031	2.6
99.92579	9.2
101.02433	0.8
108.02158	6.9
109.02950	1.4
116.92841	100.0
116.97231	5.0
121.02994	0.9
129.01871	0.6
149.02451	1.3
152.01125	7.2
153.01939	3.4
163.75087	0.8
167.03433	0.7
195.03024	1.3
237.09250	3.7
315.07275	8.6
357.08383	1.4
417.09598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56701	0.2
57.03468	0.2
59.01381	2.8
61.98833	0.5
65.99854	0.3
71.01373	0.5
81.02222	0.2
81.03461	1.3
89.02435	0.6
101.02490	0.3
105.20123	0.2
108.04552	7.2
108.08191	1.9
113.02493	0.3
116.05039	0.5
120.08170	0.9
122.06110	2.6
122.09751	1.6
132.04553	0.3
132.12677	0.2
135.03241	2.4
137.02455	0.3
146.91826	0.2
148.04053	9.4
149.04834	20.7
150.05615	100.0
151.05954	0.5
160.01671	1.1
164.07181	5.5
166.08781	0.5
170.19075	0.2
175.03989	0.9
177.02039	0.2
186.22394	0.2
225.13980	1.1
234.40620	0.3
253.13432	2.6
271.14539	12.6
293.19199	0.2
297.07504	0.2
299.72006	0.3
300.02762	2.8
315.05640	2.2
315.13556	39.0
316.13846	0.4
346.74786	0.3
357.14551	0.3
449.76465	0.3
477.12271	0.6
477.18839	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	475.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02422	63.0
51.23529	69.6
54.02632	76.8
54.82169	73.5
58.41937	77.8
62.46948	77.4
67.23265	75.8
72.00426	78.2
72.75610	80.5
78.14806	80.7
96.74815	82.1
146.71550	80.2
152.99536	94.8
160.31285	84.6
201.24593	88.9
238.47362	100.0
498.94354	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
62.23960	0.2
71.01384	20.9
72.99308	5.0
87.00885	0.9
89.02437	3.1
92.10806	0.5
115.00368	63.1
128.68298	0.2
133.01425	100.0
134.01767	0.4
182.10307	0.2
184.12308	0.2
474.05243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01383	53.2
59.40897	0.4
66.15932	0.4
71.01376	2.7
73.02979	0.8
83.01370	0.5
85.02953	1.8
89.02454	2.3
101.02432	1.7
106.48698	0.4
113.02459	0.9
116.92865	1.0
135.04524	1.8
139.59149	0.4
145.02940	2.7
146.03749	57.4
147.04509	0.9
161.04721	0.8
161.06099	15.7
162.03227	0.5
163.04010	2.2
163.07635	0.6
164.04802	43.6
179.07150	100.0
180.07523	1.7
415.15796	1.0
457.16953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	54.3
68.04963	0.4
71.01399	2.1
75.78866	0.4
89.02434	0.6
113.02502	0.5
119.03498	0.4
123.05756	0.5
135.04550	1.9
145.03061	0.7
146.03755	50.4
146.44601	0.5
147.04501	0.8
161.04778	0.9
161.06087	17.1
163.04027	1.1
164.04803	35.3
179.07150	100.0
180.07458	1.0
190.48180	0.5
218.79909	0.5
256.50070	0.5
387.43695	0.6
415.15942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2474
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
58.20764	14.2
59.01384	16.4
64.00812	13.9
78.95911	67.6
85.28374	16.9
96.96071	19.7
108.54924	17.4
113.13612	17.3
122.24007	19.3
123.70117	17.2
152.99518	24.0
277.21753	100.0
340.65579	21.4
416.22784	16.8
475.24078	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0887
Annotation	Isoscutellarein 4'-methyl ether 8-glucuronide
Peak:m/z	Relative Intensity
57.03463	0.7
59.01384	10.9
61.98854	2.3
62.96349	0.4
63.02423	0.6
65.00330	0.5
67.95817	0.4
71.01418	2.1
73.30730	0.4
82.95472	0.5
83.01395	0.9
85.02992	0.9
88.98855	0.6
88.99440	0.4
89.02460	1.6
89.36915	0.4
91.94804	0.4
92.10154	0.8
96.96041	0.7
99.04524	0.5
101.02468	1.7
107.01434	1.9
113.02483	0.5
117.03510	2.6
121.03014	0.4
125.02473	0.9
140.81442	0.4
147.92317	0.4
149.02414	1.6
149.99651	0.5
151.00357	4.7
159.04562	0.7
169.01407	0.6
171.04585	0.7
179.05634	0.5
187.07628	0.8
196.05249	0.5
199.04149	0.4
201.05701	0.4
211.04051	1.0
212.04861	0.7
225.05551	0.5
239.03485	3.3
240.04268	4.9
267.02927	2.1
268.03809	100.0
269.04578	32.0
283.06027	0.6
311.05469	0.8
313.03644	2.0
313.31375	0.5
341.09482	0.6
356.75226	0.5
415.23734	1.5
431.09875	9.6
447.35385	0.6
475.08844	48.4
490.75641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55166	0.8
58.02975	6.6
58.07055	1.0
59.01384	7.0
59.48154	1.0
70.02959	1.2
71.01373	1.8
72.04548	1.0
82.03016	0.9
83.01396	2.1
84.04551	10.4
87.05635	9.2
88.04037	23.5
89.02406	3.4
92.10151	1.5
96.04536	2.3
97.04084	2.1
98.02473	2.3
98.06122	5.6
99.00851	1.9
100.04029	11.4
101.02422	1.1
102.05597	33.8
109.01699	1.4
112.04027	4.1
112.07707	1.4
113.07217	4.5
114.05567	1.7
116.07182	8.4
124.04031	22.2
128.03532	100.0
129.10341	28.6
135.97954	1.0
136.04047	4.2
140.03535	2.4
141.06715	5.2
142.05101	13.7
146.04585	19.1
154.05028	1.2
155.08276	1.5
160.06134	8.9
173.09343	2.4
190.81551	1.1
202.07254	9.7
245.11488	4.1
267.95029	1.1
274.09409	4.5
281.11853	1.0
304.71051	1.3
345.13037	72.9
430.18018	2.3
474.17361	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
61.98836	1.2
64.26089	0.4
71.01398	0.6
75.84731	0.5
78.13409	0.5
78.95910	28.0
81.93153	0.4
92.10166	1.2
94.24396	0.5
100.60667	0.5
103.42670	0.5
122.00139	2.2
127.87020	0.9
140.01205	6.7
152.99594	2.3
159.86040	0.9
162.83917	19.2
196.03821	10.4
214.04878	3.3
272.02298	0.6
274.74881	0.5
277.21741	100.0
278.21851	0.7
400.10971	1.2
438.08398	1.0
474.26328	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29505	0.2
54.22911	0.2
59.01383	1.4
61.98829	0.3
64.36996	0.2
78.95898	7.6
78.96324	0.4
89.19067	0.3
89.70502	0.3
122.00149	0.4
125.53548	0.3
128.57652	0.3
140.01151	3.1
143.09100	0.3
151.94189	0.3
152.99617	0.3
157.21233	0.2
162.83925	1.9
190.71179	0.3
196.03867	1.2
207.79887	0.2
214.04843	3.2
262.36087	0.3
275.20096	0.3
277.21735	100.0
278.22137	1.3
333.54294	0.3
421.15894	0.3
438.08447	0.5
474.26266	9.3
474.32520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22950	0.4
52.85328	0.4
53.78607	0.4
54.94407	0.4
59.01390	3.0
66.75002	0.4
68.20412	0.4
71.05067	0.4
82.48228	0.4
85.94886	0.4
108.02145	0.8
109.02997	0.7
116.92862	4.1
121.02941	5.5
122.03770	0.5
127.77986	0.4
134.03734	6.6
135.04530	3.4
145.36688	0.4
148.05275	0.5
149.06102	4.7
159.04506	0.7
160.05357	1.6
161.06119	1.0
162.06856	0.6
174.06845	6.3
175.07632	2.3
187.07654	0.6
188.08430	2.7
201.72282	0.5
209.97810	0.4
251.10867	0.5
251.16652	0.5
253.08844	0.9
274.55099	0.5
277.08752	1.7
278.09286	3.2
279.10284	7.3
280.10977	0.8
281.08246	9.0
294.09253	0.5
295.09781	11.9
296.10574	28.1
299.85757	0.5
311.12936	100.0
312.13272	1.1
473.18423	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	473.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95589	0.5
57.03452	0.7
59.01393	1.0
61.06777	0.5
79.88441	0.5
92.10151	0.7
109.02985	1.3
112.18958	0.6
116.92855	5.3
121.02921	5.2
123.04462	0.7
130.32123	0.6
134.03734	7.9
135.04530	3.5
148.05318	0.7
149.06090	5.7
149.09808	0.5
159.04535	2.2
161.06049	1.0
167.10815	1.0
173.06056	0.6
173.16019	0.5
174.06856	6.0
175.07692	4.2
178.68877	0.5
201.05524	1.0
255.44438	0.5
270.08771	0.6
277.08664	0.8
278.09552	2.8
279.10294	7.0
281.08185	7.1
295.09753	9.7
296.10574	24.0
311.12930	100.0
312.13120	1.2
473.18301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.26
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	2.1
59.01389	100.0
61.98849	1.8
71.01392	89.3
71.01779	3.9
72.99315	2.3
83.01409	2.3
85.02959	8.2
86.42271	1.6
87.00885	3.5
88.49713	1.6
89.02451	92.5
95.01417	4.3
101.02456	23.0
106.22686	1.6
109.26221	1.8
113.02449	18.5
119.03503	11.0
121.32182	1.8
143.03528	2.5
145.78337	1.8
149.04559	2.5
158.35437	1.6
161.04588	7.1
165.12871	14.2
179.05600	16.8
247.20628	4.2
273.18542	3.3
291.19669	48.0
393.26752	2.0
460.25482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63000	0.9
78.14824	1.2
82.10318	1.1
95.28502	1.0
100.67093	1.2
236.14331	1.1
243.45612	0.9
247.61305	1.2
277.21747	100.0
328.60986	1.1
387.13284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17188	0.1
59.01377	0.3
71.01388	0.2
78.95900	5.5
79.95728	1.8
85.02962	0.2
96.96004	100.0
96.96904	7.5
123.40885	0.2
123.94907	0.2
138.19196	0.2
148.02882	0.2
165.04030	0.3
191.19492	0.2
212.57530	0.2
374.01227	0.2
399.73499	0.2
467.06390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07163	1.6
57.03444	19.6
59.01383	26.6
61.57666	1.9
71.01366	15.2
80.71824	2.0
83.05035	2.7
85.02935	2.1
89.02454	10.6
96.96002	34.7
101.02408	3.0
119.03513	2.6
121.02921	3.7
123.08179	3.5
149.09703	2.4
151.07649	3.0
161.04497	2.7
171.08124	4.0
173.09673	2.5
175.07706	2.5
177.09230	3.4
179.05609	9.1
187.11275	4.5
188.08443	3.6
201.12796	4.4
203.10770	20.7
211.11177	2.7
212.12206	2.4
216.19487	1.9
227.14458	24.4
229.12273	3.2
245.15460	23.2
253.15900	3.4
256.14688	2.7
271.17056	9.0
289.18118	100.0
307.19299	2.7
439.11536	2.2
469.24594	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	471.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53590	0.4
59.01385	0.8
64.34266	0.5
65.00352	0.5
92.73360	0.5
93.03453	11.8
101.65687	0.5
117.03459	48.9
117.60660	0.5
119.67765	0.5
127.05523	3.4
135.04495	3.8
149.50853	0.5
155.05013	1.0
157.06578	7.1
159.04515	21.6
160.50133	0.6
161.02437	8.3
179.05080	1.0
180.05786	1.9
181.06589	57.7
183.04520	12.7
193.06630	2.2
195.08260	0.7
197.06158	0.7
199.07716	1.1
199.09541	0.6
201.05571	0.9
203.03477	6.3
205.06607	2.6
207.04506	6.9
223.04016	3.6
223.07642	7.2
224.04762	1.2
225.05583	100.0
226.05846	2.0
227.03633	0.9
232.68851	0.5
247.04024	1.0
249.05571	27.4
250.06146	0.8
251.03532	9.1
252.04199	0.9
265.04837	0.6
265.08746	3.6
267.06641	39.8
269.04541	0.7
291.06708	1.0
293.04620	13.1
301.08685	1.9
309.07697	23.2
319.09583	0.7
333.07684	6.4
335.05460	1.1
343.09848	0.8
351.08725	7.8
377.06644	3.0
387.08786	94.7
388.09039	2.6
471.10880	39.2
472.11002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48865	1.2
51.08451	1.3
55.01869	1.7
57.03454	7.5
59.01382	60.8
69.35075	1.4
71.01377	55.5
72.99330	3.5
73.02964	8.4
73.68459	1.5
75.00877	2.3
83.01426	6.1
83.04996	1.3
85.02946	17.0
87.00896	8.1
89.02435	36.4
91.60625	1.3
99.00868	28.7
101.02428	27.0
111.00887	19.1
112.98812	100.0
112.99604	3.6
113.02438	12.5
115.00373	7.0
115.03355	1.9
119.03502	12.9
121.50888	1.4
129.01942	3.5
135.06644	12.2
142.99838	11.9
144.06592	1.6
145.01393	6.6
147.02957	1.8
161.04585	6.4
173.00923	23.1
179.05605	7.6
265.09296	3.2
297.11935	78.4
342.68976	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	469.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69012	2.9
51.30296	3.5
51.46896	3.1
52.00077	3.0
59.01385	9.2
71.01399	14.5
72.99282	6.0
75.00861	59.8
87.00876	6.3
89.02444	4.3
92.10739	7.4
99.00887	26.9
111.08182	6.2
112.98827	9.0
115.00414	4.5
115.93311	3.6
117.01960	4.9
121.02977	17.2
135.02989	52.9
135.04543	8.3
141.01598	3.5
142.99850	18.8
149.06081	4.2
151.04019	22.2
156.00571	4.7
163.11295	6.0
165.09187	5.2
165.12845	19.0
173.00932	7.0
174.01685	91.7
175.02394	4.5
175.07732	8.1
178.09970	18.0
191.10692	4.7
193.12422	7.4
231.17664	4.3
242.17609	27.4
279.23340	35.6
285.22287	6.8
289.21747	5.1
291.23413	4.2
295.22821	26.0
303.23465	4.6
307.22992	38.0
309.24481	8.4
315.19647	6.2
317.21362	27.1
319.19464	4.8
319.22775	27.8
329.21240	39.9
333.20807	94.1
335.22406	21.0
347.22324	100.0
351.21793	53.2
363.21884	5.2
371.22141	7.1
373.15900	5.1
373.20273	69.6
385.20264	6.4
389.23297	19.5
391.21243	34.0
403.21381	47.7
409.22293	4.8
415.21173	32.0
433.22464	42.3
451.23364	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34068	3.1
53.64647	2.7
59.01394	5.9
60.73794	3.3
92.06176	3.1
127.07668	4.7
131.29417	3.2
170.94916	3.3
174.99268	16.3
236.30780	3.4
241.00493	4.2
284.05637	3.4
297.10333	7.7
299.11716	7.3
329.82935	4.0
338.10477	25.0
340.32230	3.8
367.18616	4.6
409.13824	5.0
409.19125	100.0
431.35394	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	469.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44484	2.0
59.01393	21.8
59.90918	2.6
78.60990	2.3
80.38637	2.5
82.35052	2.4
85.39487	2.6
92.10159	4.7
119.05054	3.6
145.02962	6.5
156.21747	2.9
181.74672	2.5
255.30527	2.6
262.30981	2.8
263.06064	5.7
265.07593	19.5
267.09064	18.4
269.07050	6.5
282.21310	3.2
286.04532	3.2
295.08548	4.7
309.10245	100.0
309.74762	2.9
353.09238	2.6
409.19333	30.1
433.26236	3.7
458.85809	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	469.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82096	1.6
59.01400	5.9
71.01384	3.0
72.99324	3.0
73.02956	1.4
75.00887	2.2
79.04194	1.3
83.01402	2.2
84.00895	1.3
84.95128	2.2
87.00877	1.9
93.60461	1.4
99.00867	5.9
106.92873	1.6
111.00891	3.0
112.98809	11.4
113.99567	5.7
115.00384	5.8
132.73257	1.6
135.03047	2.5
142.99858	18.8
156.00644	10.5
161.68307	1.7
173.00954	11.8
174.01700	100.0
175.02460	8.7
175.21780	1.5
181.98230	1.8
188.96983	2.9
295.22821	14.8
307.22980	4.8
309.24451	2.1
321.24332	2.5
336.81503	1.7
347.22345	7.0
351.21777	9.6
365.23260	1.5
409.22656	2.7
451.23712	5.9
469.24054	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	469.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11191	0.2
57.03453	42.6
59.01387	5.0
71.01383	2.7
71.41051	0.2
72.54162	0.2
73.02950	0.5
79.43386	0.2
80.09430	0.2
81.03467	0.2
82.03519	0.2
83.01387	1.1
85.02967	0.9
99.00886	0.3
99.04514	16.3
101.02444	6.0
113.02467	1.2
121.03015	0.3
122.03735	0.4
125.02444	8.5
143.03481	0.4
147.04530	0.4
148.05315	100.0
149.05682	0.3
161.04556	2.1
163.07657	55.5
164.01265	0.2
164.08012	0.3
168.11588	0.3
169.38919	0.2
175.33664	0.2
183.59587	0.2
217.52136	0.2
260.69290	0.2
341.10629	0.2
349.06070	0.3
400.53894	0.2
469.17331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98604	2.3
54.99811	2.3
57.03450	46.3
59.01389	15.5
61.98833	4.8
65.41000	2.6
65.68340	2.3
70.10847	2.2
75.37109	2.7
80.09371	2.8
99.04485	20.2
100.83817	2.9
101.02458	6.0
125.02427	7.0
148.05313	100.0
163.07678	66.9
218.83881	2.7
232.26134	3.3
304.55112	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	469.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61312	0.5
51.77926	0.5
54.82400	0.8
57.64497	0.6
59.01380	20.7
59.96209	0.6
61.98831	7.4
71.01380	17.5
72.99317	0.8
73.02961	4.4
79.95748	3.0
83.01386	1.2
85.02944	5.9
86.86633	0.6
87.00874	1.3
87.83087	0.7
89.02426	13.0
92.65154	0.8
93.03487	1.3
95.01398	0.9
96.95999	100.0
96.96983	2.7
99.00871	1.2
100.39769	0.7
101.02421	14.4
113.02450	7.2
119.03516	4.5
119.05038	3.5
121.02901	1.0
135.04500	9.0
136.04869	4.3
143.03473	1.1
160.89301	0.8
161.04546	1.7
163.03975	1.1
165.05592	5.0
165.98207	0.7
166.05905	1.2
179.05597	5.9
199.53757	0.7
208.26836	0.7
221.06686	1.3
294.15054	0.8
299.85156	0.8
358.15384	0.7
366.55386	0.9
409.17117	16.0
409.22064	1.1
455.32422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
61.98836	1.0
83.01392	2.4
93.03449	7.6
116.85210	0.5
117.03463	32.1
125.03951	0.8
135.04550	2.4
153.03415	0.6
155.05032	7.2
159.04514	14.5
161.02449	3.0
161.50067	0.6
175.02502	0.5
179.05029	36.9
181.02924	2.6
195.04555	0.7
203.03528	3.2
203.05162	0.9
205.02972	2.6
207.10327	1.1
219.04617	0.7
220.05357	2.0
221.06117	4.0
223.04033	41.2
225.11238	1.0
237.05595	5.6
239.07161	6.1
247.04013	7.8
249.01898	1.0
263.07138	36.3
264.07480	0.9
265.05066	12.6
269.25113	0.6
275.07150	0.6
289.04990	4.5
305.08295	1.0
307.06155	100.0
308.06525	0.8
319.01837	0.5
330.05585	0.7
331.06158	22.5
333.04071	6.8
335.87833	0.5
349.07208	29.7
364.16815	0.5
367.07211	0.6
375.05194	9.0
383.09363	1.1
385.07227	0.7
469.09354	92.9
470.09821	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	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
60.01710	0.3
61.01818	0.3
61.98830	100.0
63.05505	0.3
71.01376	0.4
89.02434	0.7
90.93171	0.4
93.95758	0.3
96.96004	0.7
101.02420	1.3
111.57484	0.3
112.25984	0.4
114.05618	4.8
121.02906	0.3
138.01949	0.8
144.88414	0.3
156.06598	0.4
163.06139	0.7
167.10811	0.3
212.73999	0.4
468.18610	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	467.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14810	0.9
56.37754	0.8
59.01383	20.5
78.32364	0.9
84.95109	1.4
90.97157	1.1
132.98196	1.6
162.83920	5.0
173.01299	1.1
174.99208	1.8
185.01369	1.2
185.11543	1.1
198.61862	1.0
205.05434	1.5
225.04401	1.5
245.05019	2.1
247.06673	4.6
249.08081	1.2
251.05823	3.6
253.07533	5.5
261.04413	1.2
263.06064	5.2
265.07632	19.3
267.09177	16.4
279.05289	1.5
295.08658	8.4
309.10236	100.0
311.08167	1.2
407.17581	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	467.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.4
57.03464	4.4
58.00575	0.8
59.01383	88.5
61.98832	15.6
69.03458	1.0
71.01378	39.2
72.99322	3.4
73.02946	18.6
75.00901	1.2
78.91903	3.3
82.95422	2.0
83.01389	12.7
85.02955	23.4
87.00900	1.5
89.02441	6.1
95.01379	3.5
97.02949	1.8
99.00903	6.4
101.02438	48.9
101.03091	1.8
103.04020	1.2
105.49058	0.8
113.02448	18.2
116.92910	0.9
119.03497	1.7
125.02449	2.0
132.07950	0.9
135.49168	0.9
143.03546	1.2
159.03012	3.9
161.04549	19.6
178.27138	0.9
261.13449	60.0
262.13959	0.9
265.81097	0.8
328.23706	0.8
407.19250	100.0
467.21292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.1
59.01393	2.2
71.01395	5.9
71.55280	0.8
72.99323	4.2
75.00893	4.7
82.95409	1.1
83.01386	3.7
87.00898	1.9
91.89851	1.1
99.00860	6.9
111.00929	1.4
111.04544	1.0
112.98820	15.7
113.99597	4.2
115.00397	6.7
122.59390	0.9
124.98795	1.4
129.02092	1.0
135.03033	6.9
135.29480	1.0
142.99864	25.5
155.06375	0.9
155.99529	1.0
156.00607	7.4
160.69548	0.9
173.00870	10.6
174.01697	100.0
175.02444	7.1
207.13808	1.5
235.16714	1.1
237.11464	1.4
293.21289	20.0
305.21304	7.5
307.22968	1.3
319.22714	1.6
345.20676	8.0
349.20319	7.7
363.21933	1.6
379.21716	1.0
407.20816	4.0
446.04459	1.2
449.21790	7.2
467.23172	1.3
469.66052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41171	3.1
54.83865	3.0
59.01404	17.7
66.79271	2.9
71.01402	4.7
72.99323	12.7
75.00871	72.6
87.00887	7.6
89.02477	3.9
99.00879	21.5
109.34562	3.2
111.08181	5.4
112.98841	6.8
115.00301	5.3
117.01963	13.7
117.38742	4.1
121.02975	7.8
135.03008	80.3
135.04544	6.3
142.99881	26.4
145.02994	7.9
147.04518	15.4
149.06059	3.8
149.09657	3.9
158.07399	3.9
161.06116	19.9
163.04021	4.8
165.12856	14.0
173.00941	4.7
174.01718	47.6
175.02463	7.5
175.07614	5.8
176.08453	5.3
178.06396	13.1
187.07735	4.6
191.03546	6.3
203.03407	5.5
209.11757	3.5
217.05045	5.8
277.21655	30.8
283.20605	8.0
287.20255	5.6
293.21255	20.9
305.21136	33.9
313.18384	3.9
315.19611	7.7
317.21304	14.2
325.17966	4.3
327.19781	26.0
329.21722	4.0
331.19162	85.5
332.12732	7.2
333.20682	18.4
345.20737	73.8
349.20163	15.6
361.20370	7.2
369.20688	14.4
371.18698	100.0
374.36072	4.1
383.18805	5.7
387.21823	7.8
389.19800	24.3
391.54749	3.6
395.18604	6.3
401.19824	20.9
413.19656	32.2
431.20715	20.1
449.21927	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	467.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.1
61.98838	1.1
62.90991	1.0
74.36823	1.2
75.78067	1.0
82.95434	4.6
91.43597	0.9
107.59750	1.0
111.00954	1.2
123.08135	2.3
167.00262	1.2
181.08719	1.4
181.99039	8.0
182.14510	1.1
211.13475	1.5
221.01320	2.1
221.98099	1.2
252.14435	1.0
254.04488	1.2
279.09180	9.0
291.09100	1.4
296.09222	1.2
297.10089	1.6
310.07440	2.6
311.22339	1.7
347.15451	100.0
348.15909	2.1
382.73175	1.3
407.17603	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64487	1.8
59.01384	25.4
62.02467	1.6
62.53881	1.8
72.83092	2.0
92.66055	2.0
100.92963	2.1
126.71104	2.0
132.98260	2.3
151.15530	2.4
174.99266	2.9
191.04015	2.6
247.06483	2.1
251.05928	10.6
253.07469	8.4
260.99054	2.4
263.06094	14.1
265.07648	25.6
267.09216	23.4
279.05566	2.2
295.08643	31.6
309.10245	100.0
311.08054	2.9
311.22116	2.5
347.72556	2.1
407.17593	69.2
473.42645	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	466.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37634	0.4
59.01379	0.7
61.98833	100.0
62.16287	0.4
63.61950	0.4
63.83509	0.4
78.01849	0.5
97.38018	0.4
107.48796	0.5
114.32566	0.4
123.68939	0.4
159.10524	0.4
166.59019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13649	0.4
59.01381	3.0
61.98838	2.6
71.01411	0.5
75.00866	0.8
75.27065	0.4
77.51301	0.4
83.01373	0.8
86.28095	0.4
102.59524	0.5
107.01395	0.7
117.03461	1.9
121.02958	0.5
130.00655	0.4
149.02437	0.8
149.30130	0.5
151.00397	2.0
159.04527	0.5
163.82680	0.4
172.05228	0.4
183.04533	0.4
200.04788	0.7
211.04056	0.9
212.04851	0.6
239.03508	2.5
240.04355	3.7
244.48582	0.4
252.86633	0.5
267.02979	1.8
268.03793	100.0
269.04568	26.3
311.05609	1.0
431.09857	71.6
432.10251	2.0
467.14279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1353
Annotation	104-1
Peak:m/z	Relative Intensity
50.45998	1.8
51.50411	1.7
57.23633	1.7
59.01391	9.1
61.00125	1.5
61.98840	3.6
63.02408	1.7
65.00356	4.1
70.61040	1.5
83.01409	3.8
93.03471	4.7
107.01431	9.8
108.02162	3.9
110.19265	2.0
111.04437	2.2
115.97444	2.0
119.05022	100.0
123.04509	3.9
126.33776	2.1
133.02959	8.2
135.00897	3.9
135.04552	2.6
137.02463	3.1
145.03000	4.1
151.00362	25.9
161.02463	9.1
163.00363	51.0
177.01958	10.3
185.06117	2.7
187.03961	3.3
199.04068	2.2
205.01477	3.7
219.03236	2.3
245.11757	2.1
255.06242	2.3
256.03815	2.2
266.80176	2.1
271.03134	4.6
271.06168	23.7
283.06125	24.1
284.03149	3.1
285.04086	7.8
299.05630	9.8
311.05759	8.3
313.07327	4.4
325.07269	9.7
333.12268	2.4
343.08325	10.1
362.57169	2.4
391.08203	3.7
407.11633	2.5
419.11380	15.7
431.11490	11.8
449.12460	27.3
467.13531	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03757	0.8
57.29385	0.9
59.01386	14.8
61.98835	100.0
64.05579	0.8
71.01395	2.5
85.02971	1.6
89.02449	2.2
101.02434	1.7
101.56220	1.0
119.03513	1.5
119.04980	1.2
466.14606	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	466.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.9
60.01722	0.3
61.98840	100.0
67.44532	0.2
71.01400	0.3
79.98997	0.2
87.76993	0.2
89.02445	0.6
96.95997	0.3
119.03527	0.3
331.09198	0.3
365.84711	0.3
406.21664	0.2
466.69122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.7
57.03455	1.1
58.00597	1.4
59.01383	100.0
60.86500	0.7
61.98841	1.4
71.01378	47.2
72.99322	4.2
73.02960	4.7
74.01651	0.6
83.01392	4.8
85.02952	12.1
87.00886	1.0
89.02441	55.7
91.07912	0.7
95.01389	4.1
99.00883	1.3
101.02444	37.5
103.83636	0.7
113.02460	19.6
119.03504	20.2
124.97887	0.7
143.03505	3.6
149.04547	1.3
161.04576	8.6
165.12848	6.7
179.05612	16.6
207.13925	3.1
219.83319	0.7
224.72885	0.8
225.15051	0.8
229.14435	3.7
243.16039	8.9
273.02917	0.7
302.03391	3.5
387.20215	1.0
405.21338	83.0
465.09433	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.6
58.00602	0.7
59.01382	100.0
61.98836	9.3
71.01376	25.5
71.01770	0.7
72.99306	1.0
73.02941	1.4
83.01388	1.2
85.02944	6.6
89.02434	30.4
95.01400	2.8
99.04503	0.8
101.02430	15.3
101.06054	0.9
112.05364	1.0
113.02441	11.5
116.92883	1.0
119.03473	13.7
123.08164	1.0
123.13136	0.6
125.02476	2.8
126.69228	0.6
126.70161	0.7
131.03513	1.3
134.07362	0.7
135.04510	6.7
137.02440	0.9
137.09746	0.8
141.09267	4.8
143.03534	1.4
149.04601	1.2
149.09724	17.1
151.04016	0.8
153.01962	1.2
153.69423	0.6
161.04567	3.1
167.10764	23.6
167.12085	1.2
178.99896	0.7
179.05627	9.7
181.12312	0.9
196.31720	0.7
205.06969	0.7
225.14970	5.9
243.15990	7.1
303.05090	0.7
405.21384	37.7
429.14090	1.3
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
52.75064	0.5
53.04230	0.6
54.50578	0.5
57.03450	3.8
59.01382	100.0
59.83632	0.6
61.98837	4.0
63.25210	0.6
63.94080	0.6
66.71371	0.6
69.50407	0.6
70.64997	0.6
71.01377	19.4
72.99310	1.1
73.02940	0.9
75.00854	1.4
75.07972	0.6
81.03484	0.8
83.01396	0.9
85.02931	5.2
87.00884	1.0
89.02439	21.9
95.01390	2.5
96.96009	0.8
99.04546	1.0
101.02433	9.9
105.01890	0.8
112.05299	0.7
113.02428	8.5
119.03477	10.6
134.07440	1.1
139.07686	0.9
149.04507	0.8
149.08658	1.0
149.09734	15.7
152.33891	0.7
153.09248	8.5
161.03366	0.6
161.04536	5.8
165.30421	0.7
167.09343	0.9
167.10767	25.9
179.05553	5.6
209.11873	1.1
225.14948	4.2
225.62416	0.6
243.16023	5.1
400.19043	0.8
405.21362	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46289	0.2
57.03456	5.9
58.00600	0.3
59.01385	100.0
61.98834	3.2
65.78854	0.3
71.01381	14.9
72.99319	1.0
73.02945	1.3
83.01416	1.0
83.05054	0.3
85.02938	4.2
85.41378	0.2
87.00873	1.0
89.02443	23.2
93.03426	0.4
95.01402	1.1
99.00842	0.3
99.04536	0.3
99.54460	0.2
101.02446	9.2
112.05317	1.5
113.02450	7.4
119.03504	8.7
121.02929	0.5
125.02425	0.5
127.16669	0.2
128.03552	0.5
131.03465	1.1
134.07381	2.4
135.08104	0.4
137.09718	1.3
139.07648	1.0
143.03488	2.1
143.04539	0.5
149.04535	0.4
149.09727	23.7
150.10013	0.3
153.09210	3.6
161.04572	3.0
165.05611	1.3
167.10789	29.3
179.05632	8.6
182.51860	0.3
190.63742	0.3
207.13809	1.1
209.11813	1.2
225.15005	5.3
243.16148	2.3
405.16418	0.6
405.21378	12.8
449.20117	0.4
465.23135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1534
Annotation	Lehmbachol D
Peak:m/z	Relative Intensity
59.01390	51.9
60.03923	9.3
68.05830	10.2
71.01377	12.5
71.31468	9.7
101.02484	15.6
136.35757	12.5
148.56581	12.1
272.03348	12.5
309.85706	11.2
465.15204	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	465.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
61.98821	1.5
71.01362	1.1
80.05009	1.1
86.96461	0.8
88.98814	5.4
92.10653	1.0
96.08189	1.3
97.01709	1.1
98.25464	0.9
106.06616	17.9
109.05346	2.1
116.92840	2.2
118.06636	1.0
120.08166	4.7
124.07668	15.0
134.06114	100.0
137.21642	0.8
164.07123	3.5
178.05099	54.6
181.28719	0.9
190.02405	0.9
192.06679	20.9
193.01503	0.9
220.06117	13.0
241.05064	1.8
241.13423	0.9
250.07307	1.4
280.08243	4.9
305.48627	0.9
340.10455	13.7
417.13388	4.4
445.98325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21980	4.1
55.01885	4.2
59.01382	100.0
59.01662	7.1
59.29661	4.7
60.99353	3.7
71.01384	48.8
73.02949	12.0
83.01400	8.0
85.02978	26.1
88.07728	4.6
88.98824	9.7
89.02449	26.3
92.10149	6.6
92.65863	4.4
96.95999	42.3
101.02451	27.6
106.67693	4.5
107.99165	4.9
113.02469	27.8
116.92824	7.0
161.04553	30.0
183.55380	4.6
199.90422	4.9
243.12355	23.1
350.97028	4.6
405.17731	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	1.7
59.01382	26.8
60.99311	16.0
61.98840	1.9
71.01384	13.5
73.02962	5.0
78.95937	1.5
83.01388	1.7
85.02971	7.9
88.98801	100.0
89.02487	7.1
96.95996	16.1
101.02467	10.8
113.02470	7.5
116.92831	1.6
120.60575	1.4
134.06105	1.3
135.76242	1.3
161.04553	6.5
196.23865	1.1
202.43732	1.1
205.03731	1.3
243.12460	4.8
405.17743	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	464.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10206	0.8
59.09243	0.7
61.98844	1.4
67.23255	0.8
72.01974	0.8
74.53611	0.7
75.37477	0.8
78.95908	5.9
82.24623	0.7
119.68919	0.9
140.01208	1.1
150.48376	0.9
151.91182	0.8
152.99602	1.1
219.84111	1.0
267.23306	100.0
268.23654	1.3
464.27991	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	465.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23970	1.6
53.95177	1.9
55.35137	2.0
59.01381	100.0
61.98861	2.1
71.01384	9.2
75.57770	1.9
85.02961	2.2
89.02467	11.6
99.60859	1.9
101.02453	9.4
113.02441	3.2
119.03513	5.1
120.89881	1.9
127.24482	2.2
179.05597	4.3
189.05589	5.4
190.06342	12.5
205.08711	4.8
220.12180	2.1
220.26106	2.4
249.07780	3.5
291.80576	2.4
405.21295	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51338	0.3
55.07584	0.3
59.01392	1.8
60.99004	0.7
60.99311	17.8
87.00880	1.7
88.98810	100.0
89.02444	1.0
96.96001	2.9
104.02139	0.5
111.00885	0.5
155.94641	0.4
165.05513	0.7
201.82129	0.4
213.00183	0.8
261.02835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69318	0.1
52.90684	0.1
56.12373	0.2
59.01382	1.2
60.69979	0.2
61.98835	100.0
66.75149	0.2
67.63319	0.1
68.25075	0.1
71.68655	0.1
73.60315	0.2
75.96339	0.2
81.12656	0.2
89.02448	0.2
97.28824	0.2
108.04191	0.2
167.00359	0.2
171.39482	0.2
203.10674	0.2
319.33066	0.2
360.63031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82902	0.2
57.03451	0.3
59.01385	18.6
60.01721	1.8
61.98834	100.0
70.53622	0.2
71.01383	1.6
73.02956	0.3
78.27134	0.2
84.39268	0.3
89.02436	2.0
101.02413	1.0
103.43251	0.2
108.89436	0.2
112.14567	0.3
113.02437	0.6
119.03510	0.3
123.44752	0.2
140.07204	0.3
161.04573	0.3
249.52437	0.3
403.19485	0.3
404.20282	0.4
438.90634	0.3
440.57693	0.3
464.21347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35149	0.3
61.98832	100.0
63.30682	0.4
72.11790	0.4
78.15714	0.4
78.95900	9.9
96.96963	0.9
109.30123	0.4
116.92810	0.4
150.45985	0.4
152.99594	14.7
153.99942	2.4
171.00578	0.5
172.71567	0.4
204.59578	0.4
218.39586	0.5
293.76825	0.5
298.77289	0.4
316.68719	0.5
451.39401	0.5
464.21750	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	464.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11732	0.2
59.01389	0.5
61.98836	100.0
63.03644	0.2
72.54376	0.2
78.95901	12.4
96.96992	1.7
100.36322	0.2
126.71748	0.3
152.99594	17.4
153.99911	2.7
171.00601	0.5
419.21408	0.2
464.21426	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	464.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11270	0.3
59.01382	0.7
61.98832	100.0
68.84544	0.3
71.46037	0.3
103.09418	0.4
150.03198	2.7
165.05515	2.2
217.94449	0.4
228.90398	0.4
240.16057	0.5
295.82910	0.5
297.16876	0.4
403.27466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	99.5
61.98833	19.7
78.95887	6.1
83.20132	0.7
87.89648	0.8
89.02458	3.0
91.04000	9.2
95.36575	0.7
99.08186	3.8
116.92889	1.6
125.09682	1.2
127.11340	1.8
139.11325	4.2
152.99635	8.1
171.10281	8.6
183.13924	4.1
193.12338	1.5
202.24886	0.8
211.13425	25.3
229.14474	16.3
261.67285	0.8
293.21133	3.4
311.22272	18.0
329.23386	100.0
330.23654	1.6
374.82880	0.9
457.07278	0.9
463.21228	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	463.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51007	3.1
59.01371	4.1
69.09919	2.6
70.16371	3.5
70.16790	3.1
111.08200	3.7
133.95575	3.1
153.12885	2.9
153.55997	3.3
153.74702	3.1
171.10295	60.1
173.76221	3.2
217.00327	3.7
247.20949	3.4
291.19754	41.7
309.20795	100.0
445.29596	6.8
457.60999	3.2
463.27139	12.7
468.94635	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	463.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28629	0.4
63.19850	0.3
65.00336	4.4
66.73093	0.4
68.21190	0.4
75.02389	0.4
88.10912	0.4
88.14128	0.4
93.03458	12.1
93.04014	0.6
103.01929	0.7
121.02954	16.4
128.44783	0.4
131.01405	5.7
133.02963	0.9
137.02475	1.9
138.03247	0.6
147.00853	0.9
148.01704	4.6
149.02454	32.1
150.03236	20.2
151.04012	7.0
153.01958	6.7
155.03520	1.7
160.01624	0.5
161.02483	0.5
163.04030	0.9
164.04803	9.5
165.01888	0.5
175.00252	0.4
176.01160	63.6
177.01970	9.6
177.05579	8.6
178.02745	3.7
191.03523	100.0
193.01482	1.9
194.02220	6.9
195.03017	4.5
209.04523	1.6
210.01753	2.2
220.11090	2.3
221.04483	0.7
225.22151	0.8
249.07655	3.6
263.09302	4.7
271.22833	16.1
276.17258	0.9
277.10825	4.4
291.12341	3.2
305.13956	4.4
319.15704	3.2
333.17184	5.4
347.18750	4.7
361.20270	10.1
375.22031	2.9
389.23361	0.9
403.24945	0.7
404.25699	4.3
431.24371	1.7
432.00308	0.5
445.26212	1.0
448.24683	5.5
463.27109	94.3
464.27515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32491	0.3
55.79919	0.4
57.03478	0.4
59.01385	6.4
61.19756	0.4
61.98857	0.7
71.01369	4.1
73.02940	2.0
78.92816	0.4
82.38503	0.4
83.01388	0.6
85.02970	1.0
87.00862	0.4
89.02455	2.5
93.03473	0.7
99.00933	0.8
99.92599	3.0
101.02410	3.5
109.02955	0.5
113.02465	2.5
116.92860	19.9
116.93694	0.8
117.02020	0.6
137.02435	0.5
161.04561	0.9
162.43016	0.5
165.12822	9.4
183.13907	100.0
184.14252	0.6
209.11848	1.0
227.12903	7.9
235.08298	0.6
253.09352	3.2
301.10971	0.7
388.89697	0.5
463.21936	49.4
464.06406	0.5
464.22214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82661	0.2
55.01877	0.5
57.03456	0.4
59.01381	8.9
67.84417	0.2
70.91299	0.2
71.01375	5.7
73.02959	1.3
83.01392	0.5
83.05020	0.2
85.02965	1.7
87.00889	0.5
89.02445	5.6
92.10124	0.3
92.89252	0.2
95.01373	0.3
101.02443	5.7
104.26538	0.2
111.08188	0.5
113.02460	3.0
119.03474	1.5
143.03438	0.3
161.04532	1.8
165.12843	6.9
178.05037	0.3
179.05647	0.3
183.13905	100.0
184.14244	0.2
209.11885	1.7
227.12914	6.6
235.08134	0.3
253.09300	5.0
327.80157	0.2
381.42361	0.2
391.38589	0.2
463.21918	51.0
464.22351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22283	0.4
51.72337	0.5
52.18427	0.4
55.01894	0.7
58.00602	2.8
59.01384	100.0
61.98872	0.6
67.67861	0.5
67.90350	0.7
71.01387	15.3
72.99318	1.3
73.02944	2.9
75.00869	2.3
83.01376	0.7
85.02948	4.0
89.02439	13.9
95.01346	0.6
98.59550	0.5
101.02441	9.6
113.02419	6.4
119.03481	7.1
130.81760	0.6
136.01617	1.0
139.11304	0.8
143.03511	0.7
146.06143	1.2
148.05431	0.5
148.07755	0.7
149.09715	1.1
150.03178	0.8
153.09209	0.7
161.04536	3.8
167.10782	4.0
178.06384	0.8
179.05641	3.1
204.06769	0.7
205.12363	2.7
209.11787	0.9
237.06364	0.7
241.14328	0.7
329.14981	3.3
373.14014	7.4
385.13922	0.6
385.18549	2.0
403.19772	32.9
463.16611	5.7
463.22601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
57.03453	0.3
59.01386	7.0
61.98830	0.7
61.99127	0.2
63.15244	0.3
63.31023	0.2
64.85018	0.3
71.01395	4.0
71.05033	0.3
73.02956	0.6
80.02693	1.7
81.03484	0.7
83.01419	0.5
83.05040	4.7
84.02176	1.7
85.02960	0.8
85.11459	0.3
87.00909	0.5
89.02452	3.6
95.05049	0.6
96.41798	0.3
101.02441	3.7
113.02467	1.7
119.03493	0.5
125.06082	0.4
130.97778	0.3
161.04543	0.5
163.11285	4.7
165.12857	3.0
181.12367	1.2
191.10773	1.6
200.97627	0.3
209.11859	100.0
210.12152	0.6
227.12930	11.9
253.09285	9.9
253.11768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2107
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
53.09969	0.2
57.03465	0.3
59.01384	2.1
59.02661	0.2
61.98831	6.4
66.69009	0.2
78.95899	65.7
79.64703	0.2
88.50358	0.3
96.96011	0.4
96.96959	8.2
136.98369	0.3
139.48973	0.3
148.41562	0.3
150.98015	2.4
152.99593	100.0
155.87842	0.3
162.43008	0.3
171.00664	3.1
185.11630	0.3
197.11816	0.4
309.20642	0.4
329.22818	0.6
463.21091	15.7
463.27585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83500	0.3
61.98840	2.5
74.82757	0.3
78.95904	63.8
96.96040	0.5
96.96964	9.5
99.81544	0.3
137.02458	0.5
150.98053	1.5
152.99599	100.0
163.68059	0.4
171.00671	3.5
204.68434	0.4
211.96359	0.4
228.18004	0.4
332.74435	0.4
397.98050	0.3
407.82767	0.4
463.21109	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	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25348	0.5
57.03456	1.6
58.00591	0.7
59.01384	100.0
63.16961	0.5
71.01381	28.5
72.99316	1.2
73.02999	0.7
74.10715	0.5
76.41763	0.5
79.80468	0.8
83.01407	0.8
84.21777	0.6
85.02947	5.0
87.00880	2.6
89.02441	41.2
95.01402	1.1
98.70990	0.6
101.02438	11.2
113.02450	11.6
119.03493	13.7
126.54885	0.6
131.03448	1.3
143.03487	3.1
149.04602	1.0
156.84555	0.7
161.04550	3.3
165.09190	10.3
179.05608	13.7
192.68962	0.7
223.13319	1.1
250.08360	0.7
265.20691	0.8
266.24750	0.7
361.79965	0.7
403.19766	1.2
463.21976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
59.01384	6.8
63.65686	0.3
64.82819	0.3
71.01383	2.7
73.02931	0.4
75.04456	0.2
80.02681	1.4
81.03466	1.4
83.01385	0.5
83.05018	5.6
84.02156	2.3
85.02982	0.6
87.00885	0.3
89.02433	3.4
91.07047	0.2
95.05048	0.4
98.89030	0.3
101.02431	4.0
109.04823	0.3
113.02454	1.5
119.03484	1.0
135.08174	1.1
147.11858	0.3
161.04539	1.6
163.11302	5.1
165.12831	2.8
178.73851	0.3
181.12358	0.6
189.94798	0.4
191.10803	0.5
199.13524	0.3
209.11855	100.0
210.12248	1.0
227.12927	14.1
253.09273	10.5
253.11740	0.5
463.23105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
59.15782	0.2
61.98827	1.0
78.95907	61.9
96.96961	7.5
135.18657	0.2
150.98003	1.9
152.99596	100.0
159.01395	0.2
165.12769	0.3
171.00606	3.6
337.95621	0.2
463.21051	10.5
463.27411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62709	0.4
59.01389	1.2
61.98848	6.2
62.50129	0.4
70.03951	0.5
70.37425	0.5
78.91869	1.1
78.95898	66.3
83.26558	0.5
96.96950	6.7
108.35033	0.5
112.03539	0.5
150.98039	2.6
152.99591	100.0
171.00603	4.0
180.05132	0.6
197.63206	0.5
210.88968	0.7
217.00256	1.1
217.56082	0.6
463.21176	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	463.1616
Annotation	Icariside A5
Peak:m/z	Relative Intensity
52.16632	0.6
59.01375	3.9
61.98830	0.8
71.01393	0.6
75.00896	1.5
87.00893	0.8
89.02457	1.2
90.57372	0.7
91.39030	0.7
97.17522	0.8
116.92819	1.2
122.03667	1.1
135.04485	1.1
136.01602	0.9
137.02411	4.2
150.03200	1.0
162.48639	0.8
163.04012	35.8
164.04791	24.5
165.05539	1.3
172.94868	0.7
179.03607	0.9
196.03795	97.8
209.12024	1.0
270.05411	1.2
285.07721	1.2
301.10852	95.5
302.11017	1.7
337.09949	0.9
463.16165	100.0
464.16443	1.8
465.46155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91064	0.3
53.82809	0.3
59.01379	2.1
59.34741	0.4
61.98833	100.0
62.08770	0.3
75.81571	0.3
78.95875	1.4
89.13798	0.4
100.02683	0.4
134.90627	0.4
152.99643	1.0
329.23294	0.8
441.91199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07745	0.3
59.01386	0.9
59.81907	0.3
61.98833	100.0
78.95901	0.6
90.99159	0.3
114.38380	0.4
127.09687	0.4
152.99593	2.2
217.73361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25984	0.1
56.63933	0.1
57.22057	0.1
57.43548	0.1
59.01394	0.2
61.98838	100.0
69.86035	0.1
78.95908	0.7
95.35657	0.1
96.47095	0.1
101.32370	0.2
101.91238	0.1
116.92805	0.2
127.81923	0.2
152.99551	0.9
154.45929	0.1
219.08145	0.1
411.83057	0.2
438.64035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1102
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
57.03454	16.1
59.01391	15.0
61.66987	1.8
62.15160	2.0
64.28010	1.8
64.94193	1.6
65.00334	7.8
71.01383	13.0
75.32767	1.9
82.32072	1.9
83.01385	15.1
85.02969	2.2
87.00867	3.1
88.98807	14.0
89.02438	8.2
96.95995	19.6
96.96931	2.4
101.02451	4.3
107.01400	18.9
111.00901	2.3
113.02464	2.0
124.01646	9.0
125.02444	97.5
125.03433	4.3
137.02451	7.5
143.68585	1.9
151.00388	79.5
168.00623	8.4
169.01402	20.9
196.03804	1.8
211.06081	3.2
241.07272	2.5
274.76895	1.9
463.11017	100.0
472.12311	2.0
483.26132	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	463.1253
Annotation	Okanin 4-methyl ether 4'-glucoside
Peak:m/z	Relative Intensity
57.03453	2.9
59.01387	18.3
60.68842	0.5
61.98854	1.1
63.02412	3.8
65.00331	8.4
66.87365	0.5
71.01398	3.5
73.02938	1.0
76.58067	0.6
83.01381	6.1
85.02937	2.4
88.98789	2.2
89.02448	0.8
93.03483	0.7
97.28915	0.5
99.08112	0.8
101.02447	2.9
103.70647	0.5
107.01388	18.2
108.02194	6.4
113.02426	1.0
118.00224	0.6
119.05006	2.3
121.03014	0.6
123.04514	3.9
125.02393	1.3
125.09727	0.7
127.08720	0.9
128.03554	3.6
134.03741	34.2
135.04529	0.9
136.01672	2.8
137.02478	0.7
145.02992	0.7
149.04889	0.7
149.06082	22.0
151.00375	48.1
164.01166	6.3
165.01917	3.3
169.01414	3.5
174.03226	0.7
175.00409	1.2
175.71584	0.6
177.01950	5.8
187.07626	0.9
193.01425	0.9
196.00163	2.9
199.04062	0.9
201.02002	0.9
209.11797	1.2
217.00282	0.7
249.05428	0.7
285.04236	1.0
286.04831	3.9
301.07196	100.0
301.20276	1.1
302.07581	1.2
343.08185	1.2
463.12503	4.1
463.25476	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	462.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72145	0.4
56.40764	0.3
59.01379	4.1
61.38987	0.3
61.98832	100.0
71.01376	0.7
71.50034	0.4
75.00862	3.0
76.52740	0.4
89.26781	0.5
101.02428	0.5
113.02442	0.5
151.07565	0.5
203.10793	0.5
204.11041	0.5
208.03540	0.5
216.40329	0.4
222.11983	0.5
247.08186	0.7
402.18311	0.5
466.57925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82408	4.3
59.01390	29.2
61.98845	28.6
62.86254	4.2
71.01383	37.2
71.05038	10.4
78.80589	3.7
83.54445	4.0
83.91483	4.2
88.04085	6.2
88.98842	6.1
89.02483	9.7
96.87161	5.1
96.96001	7.9
101.02465	7.5
119.03455	4.1
123.76280	4.3
138.01723	57.5
146.08244	78.9
166.01154	5.0
174.05768	4.1
182.07974	9.5
192.06320	7.5
209.03975	4.7
240.08542	68.8
251.60043	5.1
280.29718	5.4
308.13684	6.8
365.40378	4.2
380.15738	100.0
402.13843	72.7
446.13254	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	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38786	0.7
57.03466	0.8
59.01385	100.0
61.98828	0.9
67.81751	0.8
71.62061	0.9
85.02961	4.2
87.00885	1.0
89.02447	0.7
91.03992	12.9
97.06575	4.3
106.22611	0.7
109.82330	0.8
125.09674	1.2
127.11365	0.9
131.21463	0.7
140.76062	0.8
171.10245	9.5
183.13898	1.6
193.12360	0.9
209.11824	1.2
211.13412	21.7
221.11864	4.0
225.34572	0.9
227.12898	1.0
229.14482	14.4
239.12787	0.9
246.84805	0.7
291.19736	8.8
309.20752	23.5
327.21799	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11111	1.6
59.01402	4.9
61.98843	2.8
63.18574	1.9
71.01411	3.9
74.99103	34.0
86.02474	10.0
89.02422	2.3
92.65188	2.1
96.96000	3.8
97.51733	1.9
122.03728	57.0
123.04469	2.4
124.01631	2.8
126.88330	2.1
137.02455	9.8
154.02731	9.7
155.33549	1.9
176.29416	2.1
179.07179	4.4
195.04865	12.1
213.05940	100.0
300.09128	18.3
338.83838	2.6
462.14471	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15028	0.9
54.37823	0.8
57.03464	1.0
59.01385	100.0
69.16669	0.9
69.68771	1.2
71.01378	25.3
71.01720	1.2
72.99303	1.3
79.05540	1.5
83.05027	31.7
85.02972	6.0
87.00902	1.1
89.02444	36.5
96.96002	9.7
101.02431	14.9
107.78358	1.1
109.80768	1.0
113.02448	9.4
116.92881	4.2
119.03509	14.6
129.84149	1.1
137.06119	10.9
143.03452	1.7
161.04460	2.0
174.19366	1.2
177.28445	1.2
179.05614	14.2
179.10800	1.3
203.10774	6.7
221.11931	8.9
231.10217	1.1
239.09396	1.3
419.11200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.4
59.01381	30.3
61.98827	1.6
70.24724	1.0
71.01376	10.3
80.02669	1.4
81.03458	2.4
82.95430	1.9
83.05036	2.1
84.02192	1.3
85.02958	4.3
87.00883	2.1
88.98824	2.8
89.02462	5.6
93.03450	1.3
97.02926	10.6
99.00859	1.3
101.02453	8.5
107.01408	1.3
107.93466	1.0
109.06590	41.9
110.03765	1.7
113.02442	2.8
120.01235	1.1
121.06606	1.9
128.03542	16.7
135.08179	8.1
136.05260	1.4
140.21100	1.2
142.02678	1.6
151.00357	2.2
161.04532	1.7
161.09747	1.4
163.11285	27.7
171.07764	2.8
181.12358	7.8
207.10284	100.0
225.11345	58.7
249.05482	7.8
253.09312	17.8
284.03217	12.1
298.04926	1.3
299.05661	11.8
461.10907	15.5
461.20352	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01279	1.4
54.90493	1.5
59.01389	3.5
63.05494	1.8
70.54467	1.6
105.03468	3.2
105.89236	1.8
117.03491	2.6
119.05039	2.2
120.18608	1.9
132.02190	7.9
133.02948	25.4
134.03731	18.0
135.04539	4.3
137.02554	2.8
141.39967	1.7
143.53595	1.8
145.02950	14.1
160.01672	60.4
161.02449	9.2
172.00792	1.7
175.04013	100.0
179.03561	1.9
193.05078	7.4
201.24562	1.9
210.10240	1.8
247.09891	2.6
261.11148	2.2
285.20721	21.8
429.22952	3.9
461.25504	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60045	1.1
59.01382	25.4
59.01652	1.3
61.98845	5.6
63.51527	1.0
78.95882	2.1
83.05045	2.2
97.57499	1.3
99.00885	1.5
99.92543	1.2
106.71023	1.2
116.92850	7.9
132.81383	1.1
152.99564	1.4
163.11275	2.1
165.12856	1.4
196.35863	1.2
197.11771	1.6
209.11850	100.0
211.02646	1.1
309.20621	1.7
327.21732	9.9
339.61707	1.2
395.95816	1.2
431.96820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96416	0.6
54.38023	0.8
55.01884	1.1
57.03453	22.9
58.00606	1.3
58.45779	0.7
59.01385	100.0
69.03461	1.8
71.01382	44.0
72.99316	1.6
73.02953	16.0
75.00874	1.5
83.01410	3.5
83.05038	1.4
85.02966	20.3
86.52005	0.8
87.00899	3.6
87.04535	1.1
89.02455	32.4
89.03008	1.5
89.32661	0.8
95.01366	1.8
95.05007	1.5
96.96008	7.2
97.02979	2.0
99.00903	1.7
101.02452	28.9
103.04020	8.2
108.02185	1.0
109.06617	0.9
113.02440	13.4
115.04001	3.4
119.03515	11.2
119.04970	1.0
120.05795	1.1
122.03716	3.7
123.04524	3.7
123.08156	7.4
125.63112	0.9
131.03500	3.7
135.04573	7.8
135.08191	2.0
139.07652	1.3
141.09392	0.9
143.03506	4.6
145.05093	1.2
146.08260	3.7
147.04510	1.0
148.05333	3.4
149.06114	1.2
149.09726	1.2
151.07657	34.2
159.03000	1.6
160.08954	1.7
161.04599	14.8
161.09735	14.7
163.06120	18.2
163.07639	20.2
165.09236	17.2
167.03458	1.5
168.07855	1.0
169.05670	0.9
173.09750	6.3
175.11278	1.0
177.09254	8.4
179.05617	4.5
179.09305	1.4
179.10802	22.4
182.99329	1.1
187.00795	1.0
187.07637	2.0
188.08432	12.5
191.10829	6.1
193.12325	1.0
195.10307	1.1
203.10812	77.6
205.07222	4.0
209.11876	1.1
217.11945	1.4
221.11867	87.3
243.03275	4.1
256.07712	1.0
383.17093	5.4
401.18021	5.0
425.00931	1.2
461.16003	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	461.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08424	0.6
51.81739	0.5
59.01397	4.5
61.98835	1.5
70.72981	0.6
78.95899	73.7
89.61545	0.6
96.96960	7.8
114.60101	0.8
123.73099	0.7
135.57266	0.8
136.83881	0.8
150.98036	3.2
152.99594	100.0
171.00632	4.1
235.32520	0.8
331.74237	0.8
461.19669	6.6
487.71274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15697	0.8
57.03459	2.4
59.01392	8.7
59.09777	0.9
60.99331	4.0
61.98834	1.2
63.22112	0.9
71.01416	1.5
74.02476	1.6
76.57668	0.9
77.27140	1.0
82.02998	1.9
84.04547	1.9
86.02489	10.7
88.04037	1.2
88.98795	14.4
89.02428	1.9
93.03453	1.7
101.02453	1.2
109.06584	1.4
116.92870	2.1
117.03477	5.3
120.01249	12.5
125.02413	9.2
127.05127	3.7
127.08762	16.4
128.03540	100.0
128.12811	1.3
136.01680	2.0
151.00406	1.9
151.03993	1.6
153.06699	8.2
158.21288	1.0
171.07755	29.4
186.50673	1.0
207.10274	2.5
215.06767	4.0
225.11407	1.6
226.04561	3.9
231.04485	4.7
241.07364	1.9
247.04976	7.2
247.55202	1.0
249.05534	38.9
251.03590	1.5
251.09766	1.1
269.04572	14.0
269.54840	5.0
275.03625	1.3
284.03241	2.3
293.04465	1.6
299.05579	1.1
350.07217	9.3
350.57465	1.3
356.39874	1.2
461.19901	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	461.1305
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
54.72059	0.4
56.24027	0.4
59.01381	7.7
60.83791	0.4
66.17297	0.4
70.18708	0.4
70.87401	0.4
71.01365	5.1
73.02938	0.7
85.02974	1.9
89.02428	5.0
95.01391	0.4
96.96030	0.6
99.00900	1.7
101.02428	3.8
108.02178	38.3
109.02946	0.5
113.02421	3.0
116.92844	1.0
119.03518	1.7
119.05030	1.8
123.04517	17.6
137.06015	0.5
152.01155	86.1
153.01831	0.6
161.04599	0.8
167.03494	100.0
168.03864	0.5
299.11469	2.5
329.08920	2.3
371.13309	0.5
461.06552	1.0
461.13092	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80651	1.6
55.01903	3.4
57.03464	8.2
58.00620	1.9
59.01384	100.0
61.98867	3.6
69.03466	10.9
71.01388	68.2
72.99309	3.5
73.02940	16.9
75.00902	2.1
81.03473	2.1
83.01413	3.5
85.02965	8.8
87.00890	2.1
89.02446	87.9
92.52268	1.8
95.01382	1.9
97.02943	15.2
99.00891	10.6
99.04522	2.2
101.02443	20.4
103.97308	2.0
106.85378	1.8
107.05042	45.0
111.00930	2.3
113.02458	11.9
115.04055	3.8
123.00887	3.3
125.02432	32.6
131.03476	8.2
137.02524	2.5
143.03493	1.7
149.04584	10.8
160.49614	1.8
161.04582	4.0
191.05721	3.7
233.06718	25.8
293.08810	77.9
401.14120	20.3
461.20313	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36874	0.3
59.01384	0.6
61.89916	0.4
61.98831	1.1
65.54052	0.4
78.19267	0.4
78.95898	68.8
96.96967	7.6
116.92857	1.9
150.98000	2.3
152.99593	100.0
171.00690	4.6
211.13553	0.7
263.99689	0.4
334.16010	0.5
404.04288	0.5
461.19620	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	459.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03297	3.1
59.01385	100.0
61.73602	3.5
71.01383	62.7
79.79552	3.8
83.24751	3.7
84.99321	3.6
87.00915	3.5
89.02444	88.6
92.10084	17.2
95.01346	4.8
101.02449	9.1
113.02444	7.0
116.92819	8.0
119.03478	7.2
130.73407	3.8
142.89767	4.2
143.03503	3.7
149.75543	3.8
160.60016	4.0
179.05573	6.7
237.80724	3.7
274.37292	4.2
279.23175	29.1
302.37476	4.6
454.51471	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	460.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15295	1.0
53.29914	0.8
59.01380	1.7
60.93985	0.8
61.98833	100.0
63.51666	0.7
67.62645	0.8
77.89524	0.9
182.56786	1.0
411.17310	1.0
435.83163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82574	0.5
57.03453	0.7
58.00610	0.4
59.01384	100.0
71.01399	2.0
78.95942	0.7
80.02666	0.5
81.03455	0.5
83.05022	2.2
84.77796	0.5
85.02948	0.6
95.05005	0.6
97.06591	0.5
99.08157	0.8
121.03024	0.5
125.09740	2.3
127.07626	6.7
137.09723	0.8
139.07729	0.6
152.99612	1.0
153.09227	5.2
155.10725	0.7
163.11278	2.3
165.12743	0.7
171.10196	2.3
178.09987	0.9
185.11819	7.2
191.14418	0.8
197.11850	6.5
209.09845	1.1
209.11852	35.6
211.13437	0.7
238.12175	2.2
239.16417	0.7
245.19086	1.1
265.18082	0.7
279.19623	0.6
289.18109	9.3
307.19180	43.7
312.15860	11.0
325.20245	26.9
381.22797	7.0
399.23975	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	459.2911
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
53.97396	0.8
60.75811	0.8
69.72205	0.8
76.24741	0.8
77.17890	0.8
81.90614	0.9
107.05023	29.0
116.92862	5.3
123.81951	0.9
130.40680	0.9
163.11284	100.0
191.10648	1.0
283.17059	23.6
295.17035	13.9
459.29095	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08480	1.5
56.10721	1.7
56.13550	1.5
58.11357	1.6
59.01384	100.0
60.35102	1.6
60.53756	1.8
61.98853	3.1
71.01399	2.1
72.99294	6.3
77.41399	1.6
82.08069	1.9
84.61998	1.7
86.02576	1.8
122.84426	1.8
126.80214	1.7
196.62465	1.9
209.11868	10.6
237.86320	1.8
245.19011	3.7
248.10728	2.7
289.18106	8.0
307.19312	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	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01385	100.0
63.31594	0.4
64.34418	0.4
70.45917	0.5
71.01389	2.0
82.06762	0.4
83.05028	1.0
84.02144	0.6
89.02461	0.5
91.04023	0.8
95.12376	0.5
97.02985	0.5
97.06534	0.8
99.08147	0.6
116.92872	0.7
123.04476	0.5
125.09714	1.8
127.07674	7.0
135.08260	0.6
137.09698	0.6
139.07668	2.2
153.09229	4.6
155.10799	0.4
163.11238	1.8
165.12767	0.6
166.81027	0.4
167.78926	0.5
171.10292	2.0
178.10042	0.8
185.11847	8.7
191.10858	0.8
191.14482	1.1
197.11819	5.7
209.11868	27.0
211.13475	0.8
237.11313	0.5
238.12033	2.0
245.19160	1.8
251.16631	0.6
256.13159	0.7
263.20258	0.6
289.18109	12.5
307.19202	47.1
312.15851	12.2
325.20242	30.4
381.22864	8.3
397.01108	0.5
399.24042	3.1
410.60843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60154	0.4
59.01382	0.8
59.64473	0.5
64.68958	0.5
70.76312	0.5
73.75722	0.6
76.58903	0.8
78.95902	63.0
92.10804	1.3
96.96956	6.7
150.98050	2.3
152.99597	100.0
153.53146	0.6
171.00653	3.9
459.25262	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	457.2364
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
53.46877	0.6
56.19677	0.8
59.01384	0.9
60.46836	0.8
61.98834	0.8
63.41647	0.6
63.66048	0.6
65.40284	0.9
69.63180	0.7
76.50574	0.6
78.95902	73.1
81.89220	0.6
90.00843	0.7
95.80500	0.7
96.96956	9.8
97.46049	0.7
108.63558	0.7
111.54008	0.9
114.89081	0.7
150.98019	1.6
152.99596	100.0
171.00647	3.2
207.60338	0.8
457.23648	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	457.281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.9
59.01384	100.0
71.01379	79.3
85.02968	8.9
89.02441	90.5
92.72976	2.1
95.01414	2.2
101.02452	19.8
113.02479	14.4
113.84148	2.1
119.03494	3.9
130.45518	2.5
140.14040	2.2
148.17941	2.9
165.10448	2.3
179.05646	14.8
218.42871	2.6
227.79829	2.4
277.21777	21.3
352.44525	2.3
423.57104	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	459.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58416	0.2
53.52263	0.2
55.01883	0.2
59.01376	0.9
62.37817	0.2
62.44917	0.2
71.01379	0.5
73.02943	57.9
74.79005	0.2
81.44994	0.2
83.54005	0.2
89.02454	0.3
99.00877	7.7
99.92584	2.4
101.02428	0.3
115.00345	1.0
116.92860	34.1
117.01939	100.0
117.92873	1.0
119.03449	0.4
120.36872	0.2
133.01471	0.3
139.06261	0.2
175.85094	0.2
191.05687	0.3
202.15332	0.2
239.13530	0.3
438.45422	0.2
459.68219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78110	0.2
58.87152	0.1
60.86790	0.2
62.94796	0.2
65.30467	0.1
65.92014	0.2
71.01380	0.2
75.46559	0.2
99.92579	6.8
100.93357	12.3
103.09624	0.2
113.92714	0.2
115.92072	100.0
116.92060	1.0
116.92841	7.6
117.92529	0.2
132.92342	1.2
148.31981	0.2
172.95470	4.3
283.26410	1.0
291.24197	0.2
380.82623	0.2
383.18979	0.4
399.18814	0.2
409.20624	1.5
439.21494	0.4
457.22696	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.154
Annotation	deoxytryptoquialanone
Peak:m/z	Relative Intensity
55.06404	0.6
59.01390	2.5
61.98857	0.5
67.14158	0.5
72.66847	0.6
72.99309	2.9
78.95910	17.2
82.42537	0.5
96.96945	1.3
97.28577	0.6
98.95742	0.5
98.96494	0.6
99.92585	22.4
100.93376	2.8
115.92085	22.7
116.92861	100.0
117.92780	0.7
120.64565	0.6
123.04520	1.1
127.18864	0.8
139.63680	0.6
140.79207	0.5
152.99594	25.5
158.93962	2.7
164.42343	0.6
213.54596	0.7
217.00198	0.6
321.36426	0.6
353.14218	3.2
371.15308	2.8
413.16379	16.6
414.16492	0.8
457.15393	10.6
464.85095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21510	0.8
57.03459	0.9
58.00596	1.3
59.01384	100.0
60.02502	0.8
67.63702	0.9
71.01380	32.9
72.99313	1.2
73.02942	17.3
73.21630	0.8
78.95894	2.1
83.01403	0.9
85.02950	9.6
89.02442	20.7
92.10149	1.4
93.03459	10.2
95.01407	1.2
96.96017	13.1
101.02446	34.7
103.04008	16.4
109.02937	1.0
111.00851	1.7
113.02420	1.7
119.03512	11.7
125.02428	1.3
127.04042	1.8
137.02475	4.2
138.98039	1.0
145.05069	3.8
150.03252	2.3
161.04541	1.5
163.06134	45.5
164.04855	1.1
164.28482	1.0
165.05533	1.9
177.09152	1.0
191.05537	1.6
205.07233	7.2
325.11365	2.0
337.02179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24187	0.2
52.66264	0.3
56.79099	0.2
57.05022	0.3
59.01383	6.7
71.01408	0.4
78.95897	6.5
79.95710	2.2
96.96003	100.0
96.96903	8.2
113.41306	0.3
138.97983	0.6
156.99078	0.4
162.82239	0.3
168.60669	0.3
172.16331	0.4
217.00188	1.3
224.40422	0.3
231.51462	0.4
293.39163	0.3
323.66083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.7
71.01399	1.3
73.02972	0.3
85.02986	0.4
89.02404	0.8
93.03452	0.4
99.00889	1.5
101.02444	0.3
119.05021	100.0
120.05373	0.4
145.02919	0.3
151.39508	0.2
161.06064	0.4
163.04010	39.9
171.96291	0.2
205.05098	0.5
297.42120	0.3
324.61966	0.3
391.53882	0.3
457.13553	33.9
458.13965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61458	0.6
52.82941	0.6
59.01389	7.9
61.41772	0.6
61.98845	1.7
64.31176	0.7
71.01398	3.5
72.96285	0.7
85.02946	1.1
96.96030	9.2
101.02500	0.9
103.88423	0.8
119.05023	100.0
127.33605	0.7
134.86633	0.8
143.07127	1.7
149.06059	0.9
161.06110	1.2
163.04019	68.4
201.15498	0.9
205.05045	4.2
217.00316	1.1
325.09378	1.4
457.13354	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3382
Annotation	oscr#35
Peak:m/z	Relative Intensity
57.03453	7.7
59.01380	2.0
61.50663	1.5
63.77084	1.6
64.45768	1.4
67.71487	1.5
73.04259	1.4
74.81779	1.5
85.42364	1.6
92.10086	3.6
111.08169	4.0
139.11296	84.7
183.10281	25.6
188.15933	1.7
196.85162	1.9
198.59996	1.6
201.11351	38.2
253.21707	2.1
271.22833	34.7
294.00790	1.6
455.33853	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	455.3538
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
57.51692	1.0
59.01377	1.7
67.40277	1.1
88.30946	1.4
88.87147	1.3
92.10860	3.5
107.26479	1.3
117.90639	1.2
185.22307	1.2
455.35388	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	456.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39140	0.1
59.01387	1.5
60.01715	0.2
60.03961	0.1
61.01810	0.4
61.98833	100.0
66.81672	0.1
71.01367	0.1
86.07934	0.1
89.02441	0.4
90.02795	0.1
101.02466	0.1
102.41251	0.1
103.02863	0.1
107.35193	0.1
109.46275	0.1
119.03510	0.1
156.06587	0.1
163.06145	0.2
196.29890	0.1
347.98410	0.1
396.18433	0.2
402.85229	0.1
465.51746	0.1
471.91409	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	455.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03268	0.4
57.03454	2.9
59.01387	2.5
59.63261	0.5
61.98824	0.8
67.01882	4.0
72.93311	0.4
76.00298	0.4
85.02945	0.7
87.00864	8.5
92.10094	1.2
96.96019	0.7
111.00876	100.0
112.01219	0.5
114.20079	0.5
127.88248	0.6
173.00943	5.1
211.13412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14769	5.5
58.46671	6.8
59.01380	44.8
61.98842	31.1
70.09727	5.8
71.01376	50.8
73.02965	7.8
91.33004	6.5
97.02972	7.5
108.33698	8.2
109.06597	66.2
131.37848	6.7
135.08153	11.5
142.02669	7.5
147.05978	7.8
163.11235	48.1
171.10268	10.2
181.12398	28.5
183.13942	12.5
199.09738	30.9
207.10289	100.0
209.11995	10.4
211.13448	69.6
225.11328	36.8
287.18210	7.6
296.50000	8.2
300.21841	7.0
359.29620	8.5
457.77353	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	455.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.1
63.94011	2.3
63.96252	5.4
68.99821	4.5
72.46067	2.1
81.03490	4.6
86.61305	2.5
91.05538	10.0
95.01393	11.5
95.05047	4.7
107.05032	12.7
109.02946	4.4
110.64688	2.6
119.05040	16.4
121.06569	11.2
122.03728	3.2
123.04541	4.3
133.06558	17.5
135.04521	83.8
135.05501	4.1
137.06036	24.4
143.08998	3.4
147.04552	16.3
150.03046	2.9
163.03908	2.7
179.01704	10.5
180.02533	4.2
182.05896	4.2
212.01485	18.2
261.18509	3.7
293.15936	9.8
294.16537	14.8
326.15634	100.0
455.26349	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	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.98832	100.0
75.99732	0.2
92.10666	0.4
134.25371	0.3
355.04489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98830	100.0
62.16283	0.4
67.16819	0.4
84.02999	0.4
87.67267	0.4
111.21853	0.5
120.25343	0.4
157.33763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	33.4
59.23517	16.7
69.03542	15.9
70.28757	16.5
71.01404	19.5
73.62543	18.2
78.95931	25.4
93.03451	21.8
96.96021	100.0
129.10237	18.7
150.03217	17.5
152.62027	21.2
233.04373	28.9
304.57111	20.2
343.10358	33.9
373.11697	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0975
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
57.72345	0.3
59.01379	1.8
69.85863	0.3
71.60834	0.4
72.66446	0.3
78.95902	89.2
96.96955	100.0
115.54555	0.4
119.18775	0.4
138.98004	4.8
143.14706	0.4
144.08139	0.4
165.57620	0.4
183.39877	0.3
184.08804	0.6
198.06682	3.5
199.00128	7.6
202.60582	0.4
211.90184	0.4
212.08313	6.0
213.01717	6.7
241.07307	6.1
241.98970	0.4
243.25859	0.4
255.08875	7.7
437.08530	0.5
450.93332	0.4
455.09778	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	452.2787
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.01718	0.1
51.59914	0.1
53.10847	0.1
59.01399	0.2
61.98843	0.7
78.95897	19.8
83.32687	0.2
103.76456	0.2
107.58162	0.2
116.89758	0.2
122.00150	0.9
122.98527	0.2
140.01196	6.1
152.99574	1.8
196.03799	8.2
196.05524	0.3
197.81721	0.2
199.07097	0.2
214.04906	1.9
237.22305	0.2
238.47266	0.2
242.27875	0.2
255.23309	100.0
256.23691	0.9
318.24152	0.2
351.15680	0.2
392.18570	0.4
416.72519	0.2
452.27866	27.2
453.28101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.263
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47113	87.6
69.41757	96.2
72.45298	77.9
72.65381	86.5
76.06187	93.0
82.27513	76.1
124.57330	84.7
193.28708	100.0
255.47466	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.6
65.76795	0.3
74.79188	0.2
103.06618	0.3
139.11298	1.8
155.14456	1.4
164.01396	0.3
177.67235	0.4
199.13417	100.0
200.13800	0.5
225.19897	0.3
225.22273	1.7
253.21736	1.2
271.22815	38.5
272.23221	0.5
431.72852	0.4
453.35876	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	452.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07213	0.6
56.11475	0.5
59.01389	4.0
61.98834	100.0
70.19577	0.6
78.95924	0.7
96.95998	0.7
130.30673	0.7
156.71428	0.7
252.16341	0.8
409.32413	0.7
458.05753	0.7
467.08606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07495	0.2
59.01395	1.8
59.36759	0.2
61.98843	100.0
71.01395	0.3
85.02961	0.2
121.02966	1.1
123.00909	0.3
200.07292	0.3
256.29089	0.2
422.97559	0.3
449.27835	0.2
452.18195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26435	0.1
52.94995	0.2
59.01388	2.1
61.01806	0.3
61.98833	100.0
68.36029	0.2
71.01382	0.3
103.34341	0.2
112.44176	0.2
128.37770	0.2
196.93883	0.2
240.86580	0.2
248.74953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28962	0.2
59.01380	2.6
60.87426	0.2
61.98832	100.0
63.99271	0.2
70.75510	0.2
84.71008	0.1
87.47826	0.2
88.59842	0.2
92.75079	0.2
98.56419	0.2
111.66646	0.2
150.44897	0.2
184.78157	0.2
283.88263	0.2
299.08932	0.3
326.11121	0.2
330.48679	0.2
401.97830	0.2
445.15311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08316	0.7
55.78881	0.5
57.08714	0.5
59.01387	13.7
60.01704	0.5
61.49518	0.6
61.98832	100.0
71.01360	1.1
71.28586	0.6
79.55221	0.5
85.02973	0.8
87.05673	0.6
89.02432	0.9
93.68873	0.5
101.02451	1.1
117.01529	0.6
168.47092	0.6
227.76361	0.7
324.48648	0.7
391.23611	1.2
392.24005	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	451.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00634	1.6
59.01393	65.5
61.98834	1.6
71.01386	53.3
72.99329	1.6
85.02979	3.5
87.00890	2.3
89.02448	54.8
95.01415	1.8
99.66822	1.5
101.02437	11.1
102.46937	1.6
113.02468	8.4
119.03526	7.3
133.09909	1.6
139.79865	1.7
179.05617	14.2
225.22125	2.8
232.00650	1.4
237.33881	1.8
271.22797	100.0
271.25699	3.4
286.32025	1.6
296.98438	1.6
353.23355	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	451.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40140	0.7
54.60371	0.9
55.87038	0.7
59.01384	100.0
61.98860	1.8
63.18771	0.8
80.39917	0.9
81.03468	4.8
83.05016	19.9
92.10158	2.0
95.05100	0.8
100.05227	0.8
105.24262	1.0
112.46599	0.8
327.14560	1.1
391.29712	48.2
403.41559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42677	0.7
59.01391	4.0
61.18003	0.6
71.01395	0.6
81.03468	11.1
83.05025	26.5
85.59525	0.7
108.04539	0.9
112.70775	0.7
125.07214	1.5
126.34937	0.7
155.52100	0.7
162.82104	0.7
207.15128	3.6
224.17691	4.3
225.16136	12.6
242.18910	1.7
260.81738	0.7
272.27243	0.7
273.61642	0.8
290.80115	0.8
324.26596	1.3
330.23608	0.8
333.23062	4.2
433.31775	7.2
451.22198	4.5
451.32953	100.0
452.33185	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	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03459	11.5
58.00604	0.5
59.01390	100.0
60.01709	0.5
61.98837	5.0
63.32886	0.4
69.98298	0.5
71.01388	22.4
73.02947	3.9
83.01411	1.9
83.10575	0.4
85.02966	4.9
85.06605	2.4
87.00893	0.7
88.98815	0.4
89.02444	7.0
94.64984	0.4
95.01356	0.6
96.34286	0.5
96.95989	0.4
99.00863	1.9
99.04533	6.2
100.66917	0.4
101.02437	11.2
113.02436	5.7
119.03504	2.1
119.05001	0.8
125.02426	3.2
131.07133	9.0
135.04524	0.5
141.49081	0.5
142.81467	0.4
147.91443	0.5
151.00429	1.1
161.04529	4.4
179.05658	0.7
185.08215	0.6
185.24744	0.5
229.18181	0.9
271.06079	0.6
275.11398	2.4
391.23459	39.8
453.76376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82718	3.5
71.56401	3.6
78.95920	22.9
83.05157	3.7
93.03453	7.9
107.40133	3.6
111.20384	3.6
113.61797	3.8
116.92783	4.2
121.02947	19.5
122.03730	17.2
123.04507	15.0
124.01660	6.2
135.04512	53.5
139.04016	39.8
149.02444	100.0
152.99615	30.9
167.03435	6.0
179.03477	17.4
271.22827	85.0
391.17874	8.5
403.24945	18.7
415.24942	20.2
421.26004	58.2
433.26160	51.3
451.27026	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	100.0
60.33249	11.9
61.98846	59.7
63.06212	11.0
71.01409	29.2
71.45937	12.3
85.02979	13.4
87.11508	13.7
89.02502	24.2
101.02464	16.3
103.14581	10.4
122.36658	13.0
136.51688	13.4
167.78694	13.0
177.46469	14.3
194.17430	15.7
249.87982	13.9
294.05042	13.3
405.95886	17.3
451.13116	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	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03440	0.7
58.00586	0.5
59.01386	100.0
61.98835	29.7
61.99162	0.7
62.03052	0.4
63.19962	0.4
63.99269	0.6
71.01380	12.8
71.70091	0.4
72.99299	0.6
73.02969	0.4
73.96636	0.4
75.45874	0.4
75.85110	0.4
76.18052	0.4
80.63703	0.4
85.02927	3.3
89.02443	15.6
91.79402	0.4
95.01410	0.5
101.02449	8.1
113.02446	6.3
119.03504	6.5
121.02949	0.5
132.67482	0.4
136.01686	0.7
136.36192	0.4
143.03523	0.7
149.04541	0.5
151.04044	0.5
157.06586	0.5
161.04573	3.1
165.38219	0.5
179.03465	0.4
179.05559	3.7
180.04263	0.7
238.71138	0.5
240.04356	0.7
295.06146	2.0
298.08536	2.2
313.10846	0.8
361.13132	0.6
373.12878	0.5
391.23453	26.4
451.16876	1.8
451.26025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.8
61.98824	24.1
68.02627	2.5
71.01388	28.7
74.65574	2.6
78.19973	2.6
88.04031	83.6
89.02423	4.9
92.10083	5.3
96.96014	11.8
101.02446	11.5
115.00327	22.3
116.92892	4.7
125.02415	3.6
126.82750	2.8
130.06610	20.2
132.03024	59.6
151.00354	10.5
156.04544	4.1
159.22130	3.1
168.67291	3.0
173.07199	100.0
175.00281	3.3
229.08693	6.8
292.11978	5.8
331.06671	11.5
335.12555	20.9
336.11078	12.9
347.27676	2.8
374.88986	3.6
380.62631	3.5
433.12683	3.4
451.13467	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00363	0.1
53.12014	0.1
58.22792	0.1
59.01384	3.0
60.01726	0.2
61.01815	0.2
61.98832	100.0
71.01387	0.3
85.02975	0.2
90.42928	0.2
90.78188	0.2
92.10908	0.3
101.02445	0.2
114.07087	0.2
128.63739	0.2
293.04419	0.3
369.10254	0.3
374.97025	0.2
377.47800	0.2
433.55310	0.2
438.79922	0.2
450.13129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47767	0.2
54.82777	0.2
56.64538	0.2
57.03459	0.2
59.01391	2.9
60.01711	0.2
61.02246	0.2
61.98838	100.0
71.01385	0.3
100.69580	0.2
108.15153	0.2
132.08311	0.2
135.90089	0.2
165.00932	0.2
224.08524	0.2
390.22253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.2
57.03491	0.2
59.01384	18.6
60.01717	1.4
61.98833	100.0
62.55783	0.2
66.02882	0.2
71.01376	1.4
73.02950	0.3
76.46316	0.2
77.40228	0.2
85.02956	0.9
89.02448	0.8
92.10780	0.6
96.95990	0.2
97.63411	0.2
101.02442	1.2
110.76328	0.2
113.02446	0.7
116.92838	0.3
127.11020	0.2
131.07051	0.2
155.10762	0.2
156.11121	0.3
161.04514	1.1
162.04817	0.2
190.63618	0.2
227.16470	0.7
228.16937	0.4
251.52312	0.2
283.05988	0.7
293.04584	0.5
294.00095	0.2
311.05692	0.8
324.11032	0.2
330.07028	0.2
344.22256	0.2
390.22104	2.0
414.18320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01379	2.7
60.01704	0.2
61.98833	100.0
65.00332	1.8
66.00644	0.2
71.01383	0.2
75.11924	0.2
83.01402	1.1
89.06546	0.2
92.10107	0.5
101.02419	0.2
107.01391	3.6
108.01727	1.0
125.02438	0.9
135.03470	0.4
135.04521	13.3
136.04851	6.5
151.00374	14.5
152.00719	6.6
166.02251	0.3
170.22501	0.2
175.00359	0.8
176.00681	0.4
205.25554	0.2
234.88931	0.3
287.05661	4.8
288.06015	10.0
390.21054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.9
59.01381	100.0
61.98851	3.8
71.01379	18.2
72.99281	1.0
74.28243	0.7
82.55645	0.8
85.02969	3.9
88.21703	0.9
89.02436	29.0
93.03443	12.5
101.02441	11.2
111.08134	0.9
113.02463	9.8
117.03459	33.0
117.04259	1.7
119.03486	11.8
125.02432	0.9
127.05535	3.1
135.04503	4.3
137.02483	0.7
143.03482	1.2
153.09201	7.9
155.05060	3.4
157.06589	7.2
159.04529	14.4
160.38620	0.9
161.02443	4.4
161.04521	4.1
175.22914	0.8
179.05678	8.0
180.05771	1.3
181.05011	1.8
181.06602	47.5
182.06908	1.5
183.04465	9.6
199.04021	1.0
203.03513	4.2
205.06593	1.1
207.04539	4.1
209.15503	3.0
223.07529	1.8
225.05592	64.2
226.05933	1.7
227.16603	1.5
249.05542	14.0
251.03569	7.2
267.06699	21.3
267.09467	1.6
268.06732	1.0
293.04578	11.1
301.08707	1.1
387.08795	67.0
388.09146	4.7
389.21857	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	449.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21867	0.4
69.06528	0.3
78.95908	6.4
81.75467	0.3
82.18629	0.3
87.63829	0.3
110.98537	4.2
129.95781	0.3
152.99631	3.5
167.01140	1.7
185.02200	2.6
281.24875	100.0
282.25159	1.8
340.51669	0.4
449.26764	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	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98836	8.5
71.01385	7.4
71.05042	0.6
73.02957	2.0
76.20593	0.4
81.52737	0.4
83.01414	0.7
85.02972	4.0
89.02451	3.2
92.10838	0.6
94.96758	0.4
95.01411	0.5
99.00885	0.7
101.02442	4.8
101.94257	0.4
113.02428	3.8
119.03484	0.8
139.07722	0.8
153.09215	1.0
155.10802	5.7
161.04549	6.9
187.00282	0.4
227.16537	8.4
389.21909	11.8
397.43854	0.5
410.26031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.8
58.00610	0.4
59.01389	100.0
61.98834	1.8
64.51670	0.3
71.01382	14.3
72.99311	0.7
73.02949	0.9
83.01385	0.6
85.02952	2.7
87.00891	1.0
89.02440	21.0
89.37862	0.4
95.01374	0.9
101.02423	8.4
111.08173	0.5
113.02453	6.2
119.03483	8.7
125.02476	0.5
131.03505	0.7
143.03470	1.6
148.62320	0.3
149.04602	0.5
153.09218	4.0
161.04546	3.5
179.05617	6.6
209.15517	2.2
268.72156	0.5
307.06723	0.4
359.20648	4.0
386.94678	0.4
389.21841	20.2
396.18839	0.4
455.05078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43844	0.3
55.01887	0.8
57.03452	2.9
58.00576	0.4
59.01381	100.0
61.98834	5.2
65.00306	1.2
67.06866	0.3
68.13178	0.3
71.01376	21.0
72.99312	2.1
73.02937	2.5
81.03447	0.7
83.01385	3.8
85.02945	6.5
87.00845	0.6
89.02438	21.5
90.98059	0.4
92.10170	0.4
93.03448	0.6
95.01389	1.9
96.95993	0.4
97.02964	0.4
99.00866	0.8
101.02440	14.9
107.01371	0.7
113.01703	0.6
113.02453	9.6
119.03488	9.5
121.02931	1.6
123.04519	0.5
124.01604	0.5
125.02433	11.7
130.01089	0.4
131.03503	0.7
131.05072	0.3
133.02948	0.5
142.70799	0.4
143.03468	1.4
145.35344	0.3
150.03214	0.5
151.00375	5.4
152.01112	0.8
153.01910	0.8
156.05742	0.4
159.02931	0.7
161.04559	5.8
173.06000	2.5
175.04051	0.4
177.05544	0.8
178.99834	3.1
179.05585	2.2
195.06444	0.4
201.05507	0.5
209.04440	0.4
209.15701	0.4
215.07147	4.1
227.07359	0.4
227.16467	0.3
243.06677	1.7
247.77785	0.3
259.06113	20.9
267.81625	0.4
270.25085	0.4
283.06152	3.9
287.05655	10.4
293.04526	1.7
301.07135	0.8
311.05530	0.8
321.15643	1.4
371.20847	4.0
379.91882	0.4
389.21875	60.7
390.22336	0.6
396.14203	0.4
421.11475	1.7
449.10361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21564	0.4
57.03467	0.4
59.01385	100.0
61.98838	2.6
71.01382	7.6
71.05016	0.7
73.02940	1.5
83.01428	0.5
85.02975	3.3
89.02439	2.7
93.43817	0.4
95.01360	0.5
99.00875	0.6
101.02444	5.7
113.02452	2.7
115.76624	0.4
135.04483	0.6
139.07654	0.8
155.10789	5.0
161.04581	6.3
175.14024	0.4
227.16551	9.5
329.06552	0.7
387.92819	0.4
389.21884	15.1
449.24176	0.7
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
56.88237	0.6
59.01382	100.0
60.99308	6.6
61.98864	0.9
63.73187	0.6
71.01375	19.2
71.01720	0.8
73.02961	3.8
83.01404	1.7
85.02945	8.4
88.98799	43.7
89.02443	18.9
89.02940	1.2
95.01389	1.5
96.96020	1.7
99.00871	1.0
101.02434	10.2
113.02465	8.3
119.03485	5.9
122.09917	0.8
143.03503	1.3
153.77747	0.8
161.04562	15.8
179.05600	4.9
236.96007	0.7
338.72311	0.8
389.18292	20.0
433.17145	1.2
449.20255	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	449.2317
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
57.52851	0.4
59.01387	0.8
59.01672	0.5
61.98835	11.9
61.99117	0.7
63.30543	0.5
63.99272	1.3
64.16871	0.5
78.95907	57.9
92.10789	1.1
96.96957	6.9
116.92895	0.5
140.04112	0.5
150.98045	2.7
152.99590	100.0
171.00641	3.1
187.55888	0.5
208.41635	0.6
295.23044	0.7
335.45331	0.6
449.23157	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	449.1463
Annotation	Auriculoside
Peak:m/z	Relative Intensity
53.30017	1.3
55.72697	1.4
59.01389	20.3
61.98836	3.6
71.01396	10.0
79.70538	1.8
85.02964	2.3
89.02451	9.8
91.01896	6.8
93.03458	7.2
95.01384	1.8
101.02444	3.3
107.94395	1.7
108.02153	2.4
109.02954	2.5
113.02439	2.4
117.03359	1.7
119.03509	3.3
119.05030	9.5
121.02957	42.6
122.03728	3.1
123.04526	40.5
137.02415	2.6
148.26668	1.7
151.00307	2.7
152.01143	7.7
153.01909	2.7
163.00447	3.4
167.03514	100.0
227.07159	3.9
228.07956	21.5
243.10245	41.2
283.06088	3.7
287.09256	42.6
377.10321	3.8
389.22006	13.5
413.58426	1.9
449.14630	61.5
449.20297	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	449.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83204	0.6
55.07119	0.6
57.89846	0.8
59.01385	37.5
65.29185	0.7
71.01389	3.0
85.02943	0.8
101.02409	0.8
107.05087	0.8
120.02146	3.5
123.04489	1.5
135.04478	0.6
138.03224	15.0
153.05582	100.0
158.37396	0.7
161.04530	1.2
182.78674	0.8
235.08270	1.0
236.06934	0.8
245.81668	0.8
266.30557	0.9
389.14481	3.1
408.60046	0.8
470.73141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Flavanomarein
Peak:m/z	Relative Intensity
52.90422	0.2
54.43229	0.2
57.03459	0.5
59.01385	20.4
60.01723	1.9
61.01810	1.1
61.98826	2.5
63.02418	0.6
65.00327	9.8
65.60422	0.3
69.85902	0.3
71.01003	0.2
71.01385	1.8
74.84161	0.3
83.01379	5.6
85.02979	0.4
89.02473	1.5
89.60714	0.3
93.03454	0.5
97.02964	0.5
98.23911	0.3
101.02450	1.3
107.01399	21.1
107.05077	0.3
108.99305	0.3
109.02962	3.5
113.02465	1.1
114.39303	0.3
119.03494	0.5
119.05009	0.3
121.02947	0.4
123.00864	0.3
125.02455	4.6
131.01379	2.2
134.03743	1.6
135.04529	100.0
136.01678	0.4
137.02470	0.6
138.47354	0.3
151.00381	98.0
161.02438	1.6
161.04500	0.4
165.01930	1.6
169.01430	1.8
175.00357	7.1
177.01907	0.6
193.01447	2.1
205.01585	0.6
286.04224	0.4
287.05649	70.5
311.05634	0.6
313.05630	0.6
329.06708	0.4
378.61652	0.3
388.20871	1.1
389.21222	1.5
449.10690	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	448.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95198	0.2
54.12627	0.2
57.90466	0.2
59.01386	7.1
60.01716	0.4
61.98835	100.0
62.89341	0.2
65.99422	0.2
67.12649	0.2
70.19352	0.2
71.01403	0.5
80.43977	0.2
87.08846	0.2
89.02419	0.3
141.60403	0.2
161.04578	0.4
385.00281	0.3
468.05963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86494	0.1
59.01407	0.3
61.98840	100.0
70.61795	0.2
78.95903	3.8
96.96954	0.7
128.68625	0.2
141.93648	0.2
152.99600	4.8
153.99910	0.8
171.00641	0.2
195.77516	0.2
356.11096	0.2
395.38800	0.2
448.21686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74032	0.2
59.01398	0.9
59.27573	0.2
61.98835	100.0
78.95898	2.7
80.87569	0.2
82.95417	0.4
83.15110	0.2
102.29082	0.2
116.18350	0.3
117.03531	0.2
152.99574	3.4
155.82118	0.2
166.24998	0.3
197.49022	0.2
313.82681	0.3
434.57513	0.3
448.22174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89880	0.1
59.01379	0.1
61.98833	100.0
78.95901	0.3
108.27874	0.1
111.45499	0.1
116.92806	0.2
147.25952	0.1
152.99638	0.3
297.00912	0.2
314.23312	0.1
316.81317	0.1
392.91183	0.2
446.45322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.41427	0.5
73.52748	0.4
78.95905	2.6
86.72429	0.4
92.10081	0.5
138.99510	0.5
148.44226	0.5
152.99577	3.1
153.99954	0.5
167.15852	0.5
311.71140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28131	0.1
57.49078	0.1
59.01382	3.1
60.01715	0.2
61.98832	100.0
68.12480	0.1
71.01373	0.3
85.02965	0.1
89.02458	0.5
92.10902	0.2
93.07686	0.1
103.77355	0.1
113.02458	0.1
151.23610	0.1
211.10182	0.1
232.48637	0.1
269.86597	0.1
301.20724	0.1
318.58170	0.1
414.00528	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	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35056	0.2
59.01385	18.3
60.01719	1.5
61.98835	100.0
71.01382	1.8
71.09685	0.2
75.17744	0.2
85.02973	0.4
85.49756	0.2
89.02443	1.6
90.48966	0.2
92.10103	0.4
101.02429	0.9
102.02795	0.3
113.02441	0.3
119.03501	0.5
135.16673	0.3
161.04643	0.4
179.05554	0.6
225.37326	0.3
339.56354	0.2
388.20978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74948	0.2
55.42360	0.2
57.03460	0.3
59.01381	8.1
60.01735	0.3
61.98830	100.0
65.00333	0.2
66.29988	0.2
67.78375	0.2
71.01392	1.3
76.73843	0.2
89.02445	1.0
101.02418	0.5
113.02419	0.5
113.39656	0.3
117.59020	0.2
124.01630	0.3
125.02457	1.7
152.01126	0.4
161.75467	0.2
179.10800	0.3
201.05417	0.2
205.12256	0.3
259.06253	1.7
287.05588	0.9
388.20810	0.3
448.22836	0.3
449.10938	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	449.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40808	0.5
59.01376	4.3
61.98837	0.9
65.00328	2.1
76.29228	0.5
84.08925	0.5
92.10804	1.2
93.03484	1.0
94.16248	0.6
110.00076	3.8
117.03467	9.6
119.01371	0.6
119.05038	5.5
121.02953	6.4
136.98793	4.6
143.05019	0.7
145.02988	0.6
153.65088	0.6
161.02452	2.3
163.00479	1.9
164.01169	0.7
165.99052	3.9
167.04980	0.8
171.04579	1.2
183.04503	2.4
195.04517	3.2
196.05266	1.2
199.03979	1.1
200.04848	3.4
211.04018	5.7
212.04781	2.1
217.59520	0.6
223.04031	0.9
224.04724	1.2
227.03470	3.1
228.04340	2.0
239.03529	6.3
240.04239	2.3
255.03104	4.2
256.03796	0.9
267.03012	1.3
268.03876	1.2
283.02527	4.3
284.03290	47.3
285.04126	7.9
387.08810	100.0
388.09409	1.2
389.06760	45.7
403.17847	1.0
449.02713	1.1
449.08862	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2755
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
50.73745	0.4
54.82354	0.4
75.33405	0.4
79.83554	0.4
95.05045	0.8
105.03455	7.9
117.03538	0.5
121.02954	1.1
132.02168	13.5
133.02954	40.1
134.03743	25.6
135.04524	7.8
137.02438	6.6
139.04007	0.6
144.43356	0.5
145.02995	0.7
147.04523	0.7
148.05333	5.3
149.06134	0.7
150.03217	0.8
160.01666	66.1
161.02449	16.4
161.06078	5.8
162.03233	0.8
175.04008	100.0
177.01880	0.6
178.02681	3.8
179.03488	5.1
189.32216	0.5
193.05067	8.2
194.02306	0.8
204.11597	0.7
211.48721	0.5
233.08234	2.4
247.09784	3.6
260.17789	0.6
261.11362	3.8
271.22809	17.6
275.12903	2.2
289.14499	2.3
303.16028	2.9
317.17651	2.7
331.19327	2.9
345.20782	7.8
347.25891	2.9
359.22360	1.9
371.25980	0.6
387.25571	0.6
388.26312	0.5
415.24927	10.6
429.26346	0.6
447.27594	84.1
448.27948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82482	0.7
57.13001	0.6
92.10243	1.3
97.16901	0.8
105.03473	8.2
117.03433	1.2
125.35638	0.7
125.43325	0.8
132.02174	14.5
133.02959	44.4
134.03749	20.1
135.04523	12.5
137.02423	7.4
139.04045	1.4
148.05281	5.2
150.03186	0.8
160.01660	76.1
161.02452	16.3
161.06090	7.7
175.04007	100.0
177.01947	1.2
178.02708	3.7
179.03455	4.3
193.05054	7.7
194.02229	1.1
200.04051	0.9
225.22313	0.8
233.08116	1.1
247.09729	3.0
260.17719	1.1
261.11340	3.0
271.22806	17.8
275.12817	1.7
289.14420	3.9
303.15948	1.2
317.17526	3.1
331.19171	1.8
345.20743	6.8
347.25873	1.1
359.22308	0.9
415.24957	9.1
447.27567	79.4
448.28214	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62149	0.1
59.01389	1.6
61.98837	100.0
64.77106	0.2
69.59146	0.2
71.01389	0.3
76.57596	0.2
92.10862	0.2
113.70097	0.2
127.10841	0.2
143.39505	0.2
147.96271	0.2
155.55925	0.2
180.67570	0.2
209.00366	0.2
388.19937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82761	0.3
59.01384	1.7
61.98810	0.3
78.95902	7.3
110.98540	3.8
152.99605	4.6
167.01152	1.8
185.02164	2.2
261.22290	0.5
279.23306	100.0
280.23679	1.4
298.23669	0.3
447.25256	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	447.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46323	0.4
56.91082	0.3
57.03453	0.7
59.01382	1.0
61.98849	0.6
66.30126	0.4
66.31655	0.4
78.95916	0.9
112.30804	0.4
116.66946	0.6
117.03468	22.1
119.05025	63.6
130.18282	0.4
145.02960	100.0
146.03311	0.6
152.96996	0.5
152.99579	3.5
156.85175	0.5
161.02438	1.9
163.04013	40.8
201.09181	0.4
221.19104	9.7
225.53078	0.5
234.52443	0.5
265.18076	6.7
283.19159	10.4
301.20227	18.5
328.20544	0.5
409.20306	0.7
447.23929	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30481	0.2
51.77599	0.2
54.82696	0.2
55.01888	0.4
56.87716	0.2
57.03456	0.3
59.01389	100.0
59.25931	0.2
61.98836	0.4
66.97230	0.2
71.01379	6.1
73.02949	0.9
83.01415	0.4
85.02517	0.2
85.02929	1.9
89.02434	5.0
95.01392	0.5
101.02439	4.2
112.49254	0.3
113.02459	2.8
119.03483	1.8
123.85471	0.2
130.94698	0.2
143.03429	0.3
159.02995	0.4
161.04558	2.7
179.05606	1.2
190.79831	0.2
299.05704	0.5
327.05154	1.0
364.92822	0.2
387.20300	5.5
447.09506	0.4
447.21979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01385	6.4
73.00111	0.5
83.01414	0.5
85.02949	2.8
89.02429	4.0
92.10780	0.9
95.75831	0.5
96.45297	0.3
101.02422	4.3
113.02444	2.6
116.92789	0.5
119.03474	1.0
131.23425	0.4
143.03522	0.4
150.82631	0.4
161.04579	3.0
179.05568	0.7
180.99341	0.5
234.13901	0.4
252.16022	0.5
263.92902	0.5
284.03128	1.8
285.04010	2.9
307.49991	0.5
375.32611	0.4
387.20288	12.2
447.22275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03063	0.5
56.91114	0.6
59.01376	3.4
61.98828	8.6
65.85881	0.6
66.41045	0.6
77.42958	0.6
77.47639	0.6
78.95900	10.7
83.51248	0.6
92.10838	1.3
96.96992	0.8
97.23264	0.8
117.03459	20.6
119.05018	59.7
119.58480	0.6
145.02956	100.0
152.99568	17.2
163.04008	40.7
163.05400	1.4
221.19141	9.8
261.55688	0.8
265.18155	8.2
283.19202	9.7
301.20178	15.6
304.69348	0.8
312.22681	1.0
314.49417	0.8
333.57330	0.7
447.23935	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08333	0.5
57.03471	2.8
59.01388	100.0
59.69431	0.5
61.98846	1.3
67.43179	0.5
71.01382	9.9
72.07906	0.5
73.02965	2.3
74.01164	0.5
80.99656	0.6
83.01404	1.0
85.02979	3.3
89.02441	4.4
99.00902	1.1
101.02450	7.7
113.02472	3.1
119.03504	3.9
124.01187	0.5
130.35324	0.5
140.07201	2.2
141.07539	0.9
149.09785	0.7
151.11317	0.9
159.43930	0.6
161.04536	7.4
163.11304	2.3
164.15358	0.6
173.09744	0.6
174.87518	0.6
179.05721	0.7
181.12344	6.9
185.00610	0.6
188.99028	0.6
189.12843	3.5
207.13982	5.0
210.69839	0.6
225.14984	5.4
249.14989	0.7
291.16101	7.2
309.17203	1.2
319.51584	0.6
343.17621	2.5
387.20248	6.5
431.99289	0.6
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
55.01893	0.4
56.87989	0.3
57.03449	1.7
59.01382	100.0
60.60018	0.3
62.05145	0.3
67.21465	0.3
69.03394	0.3
71.01381	9.7
73.02949	1.7
73.59241	0.3
76.57880	0.3
83.01379	1.6
85.02943	3.2
89.02439	5.2
95.01380	0.5
96.73856	0.3
99.00883	1.7
101.02444	7.1
113.02483	3.1
115.29873	0.3
119.03500	3.0
133.97810	0.3
144.67670	0.4
149.09697	0.6
151.11292	1.5
153.09198	1.7
153.12837	1.5
159.02982	0.3
161.04549	6.5
161.09727	0.4
161.24463	0.4
163.11281	4.4
171.08116	0.5
173.09694	0.7
173.18828	0.4
177.12669	0.4
179.05574	1.3
181.12352	6.8
187.11275	0.5
189.12848	4.1
202.06354	0.5
205.12315	0.4
207.13884	5.0
215.39252	0.4
225.14996	6.9
247.13318	0.4
249.15048	0.4
265.14444	0.8
291.16046	6.0
303.88251	0.4
309.17136	1.4
343.17590	2.5
387.20294	5.1
400.24432	0.3
411.16470	1.3
447.22192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01383	100.0
60.01710	2.0
61.01810	0.9
61.98832	26.7
65.27342	0.4
71.01379	9.3
72.01714	0.8
72.40276	0.4
73.02934	1.0
83.01410	0.7
85.02965	2.4
89.02451	12.3
90.02778	1.0
95.01361	0.5
99.00893	0.6
101.02447	5.1
113.02442	5.0
119.03475	4.6
121.02953	0.8
150.75098	0.5
161.04579	1.8
166.06453	0.6
179.05615	6.4
181.08817	0.6
205.12431	0.7
207.13899	0.7
209.04767	0.6
272.47797	0.5
293.96768	0.5
387.20026	3.2
403.51166	0.5
447.21997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29037	0.2
57.03465	0.3
58.00581	0.2
59.01384	100.0
61.98835	5.3
71.01381	6.9
73.02924	1.7
83.01385	1.0
85.02953	3.0
89.02440	4.6
92.10057	0.2
93.13751	0.2
95.01369	0.4
99.00890	1.0
101.02435	4.7
113.02451	3.6
119.03461	2.2
125.09689	0.2
133.02948	1.0
135.04417	0.3
137.09778	0.3
149.04570	0.2
151.11308	0.3
159.03035	0.3
161.04556	3.7
179.05649	2.0
207.13913	0.4
208.65158	0.2
265.94293	0.2
291.16016	0.4
297.04114	1.1
298.04645	0.5
299.05539	1.3
327.05157	3.8
339.04800	0.5
343.17563	0.3
357.06149	2.0
387.16522	0.3
387.20398	5.9
447.09375	2.0
447.22342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03465	0.4
58.00583	0.4
59.01383	100.0
61.98833	0.5
70.68591	0.3
71.01378	10.1
73.02948	0.5
81.98521	0.3
83.01385	0.6
85.02959	2.8
88.98804	0.8
89.02444	12.1
95.01421	0.6
101.02448	5.3
110.75574	0.4
113.02455	4.7
119.03501	4.4
123.08146	1.4
131.03539	0.5
137.09720	0.7
143.03491	0.8
161.04570	2.3
163.11278	1.3
179.05617	6.1
189.12840	1.4
207.13863	2.7
225.15065	0.5
359.13461	0.7
387.20117	2.9
401.41187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.7
59.01383	100.0
60.99320	1.7
61.98839	2.0
67.92992	0.3
71.01378	8.0
71.54879	0.3
73.02969	0.4
83.01390	0.5
85.02947	2.3
88.98801	11.0
89.02436	9.7
99.00871	0.5
99.04504	0.4
101.02441	4.6
113.02427	2.9
114.39528	0.3
119.03467	2.6
123.08143	1.8
143.03528	0.4
161.04549	2.5
163.11307	0.8
179.05637	4.1
189.12816	1.6
207.13925	2.4
210.09569	0.3
225.11293	0.5
265.12805	0.5
284.14774	0.4
293.38849	0.4
322.82303	0.3
365.15289	0.4
387.16156	0.4
387.20380	3.2
409.17288	0.5
410.65503	0.4
447.22403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
59.63316	0.2
64.59144	0.3
67.43367	0.2
70.74684	0.2
72.99303	6.8
72.99689	0.4
75.00869	5.0
87.00874	1.0
90.53504	0.3
104.03541	0.5
105.01933	100.0
106.91109	0.3
108.40498	0.2
115.00367	0.3
119.62570	0.3
126.49773	0.2
133.01419	1.1
205.91774	0.3
237.74400	0.3
286.52289	0.3
287.51453	0.3
356.76495	0.3
455.91727	0.3
459.22141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18568	0.2
59.01382	3.1
60.01723	0.2
61.98832	6.0
75.00870	0.5
78.95907	65.8
85.69517	0.2
86.87089	0.2
91.13410	0.2
96.96963	8.0
113.09750	0.3
115.00378	0.3
137.23654	0.2
150.98038	2.6
152.99597	100.0
153.99864	0.3
171.00627	2.9
259.85666	0.2
262.11877	0.4
293.21350	0.4
304.06216	0.3
305.17178	0.4
353.22614	0.2
447.21579	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	447.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74749	0.3
59.01385	2.2
61.98831	3.8
78.95896	59.7
80.40221	0.4
86.52493	0.4
92.10223	0.5
96.96944	7.3
97.72285	0.5
107.06438	0.5
114.16407	0.4
150.98033	2.2
152.99590	100.0
171.00685	3.1
208.34613	0.5
293.21167	0.7
353.51447	0.4
443.12097	0.5
447.21570	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06992	0.7
59.01392	3.3
61.98830	18.4
61.99117	1.0
67.38383	0.6
71.38481	0.7
78.95901	59.3
90.79116	0.7
96.96959	6.6
105.88557	0.7
118.30421	0.7
136.01006	0.7
149.00070	1.4
150.98007	1.5
152.99594	100.0
163.00449	0.9
171.00632	3.3
195.13809	1.0
223.13373	5.5
255.02965	0.8
275.40906	0.7
293.21146	0.9
311.22217	0.8
352.94351	0.8
369.44766	1.0
387.09018	1.4
447.14142	9.9
447.21570	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71785	0.5
55.01892	1.5
57.03453	11.4
59.01384	8.0
68.99841	0.6
69.59081	0.6
71.01377	6.2
72.99300	10.7
73.02948	1.1
75.00861	8.6
81.03474	2.9
83.01379	4.5
84.02206	0.9
85.02951	48.8
87.00867	4.4
89.02419	0.6
99.00911	3.8
101.02443	5.0
103.00421	0.9
105.01937	71.4
111.00885	20.8
111.01646	0.9
125.02430	9.1
129.01945	24.5
133.01428	0.7
143.03505	0.8
143.60469	0.6
147.03004	7.5
149.86835	0.7
155.89490	0.6
161.04604	1.5
176.81520	0.7
187.02559	1.1
194.62534	0.6
196.60963	0.7
205.03575	27.7
222.29030	0.7
223.04626	100.0
339.33896	0.7
397.92072	0.7
466.16623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82782	0.3
59.01379	3.8
61.98829	16.8
62.96410	0.6
71.47512	0.5
78.95900	50.3
96.96970	3.7
104.57827	0.4
114.08195	0.5
116.92880	0.6
122.93226	0.4
127.49212	0.5
149.00093	27.1
152.99585	5.3
158.92514	1.6
179.01198	3.5
190.51825	0.5
205.15973	2.8
208.33408	0.4
255.04152	0.4
255.07668	0.6
305.17358	0.6
348.39001	0.4
417.12076	0.5
431.10526	4.3
447.13480	100.0
448.13724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07872	0.4
51.51702	0.4
51.72777	0.4
55.90890	0.4
59.01375	0.8
60.01681	0.5
61.46255	0.4
61.98831	100.0
68.67226	0.5
80.73185	0.4
92.10160	0.8
138.14519	0.5
156.99879	0.5
169.95724	0.5
291.26288	0.5
423.97415	0.5
427.05566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38097	0.8
56.85616	0.8
59.01400	4.7
61.98835	100.0
64.86003	0.8
65.26621	0.8
78.95927	2.1
128.09552	0.9
131.80937	1.0
132.65448	0.9
152.99667	1.5
162.44017	0.9
171.62126	0.9
201.00453	1.1
295.51501	1.1
307.61737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
61.98832	100.0
62.48335	0.1
63.51761	0.1
68.84227	0.1
75.88395	0.2
78.95895	0.4
95.48313	0.2
104.58238	0.2
107.33597	0.2
139.34952	0.2
148.66585	0.2
152.99544	0.2
247.06046	0.2
252.62242	0.2
428.11707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07665	0.1
54.82779	0.1
56.11993	0.1
59.01379	1.7
61.98832	100.0
63.52721	0.1
77.93218	0.1
78.95887	0.5
92.10752	0.2
108.57339	0.1
152.99567	0.6
335.41980	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	446.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37785	0.2
59.01386	2.3
61.98838	100.0
69.38036	0.2
71.90344	0.2
75.81845	0.2
76.90784	0.2
78.95903	2.3
105.19621	0.2
113.78391	0.2
120.10630	0.2
120.52052	0.2
134.35783	0.2
152.99582	3.7
169.16827	0.2
181.06606	0.2
204.04688	0.2
216.42532	0.2
242.89026	0.2
252.21710	0.2
294.21469	0.5
300.66211	0.2
447.21878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42628	0.1
54.46709	0.2
59.01389	1.1
60.14917	0.1
61.98838	100.0
62.39971	0.1
63.18818	0.1
74.69530	0.2
75.29356	0.2
78.95909	0.3
92.65076	0.2
93.07278	0.1
98.12722	0.1
110.50836	0.1
152.99538	0.3
189.57005	0.1
217.40672	0.2
227.36893	0.1
311.22418	0.3
312.22708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13879	0.2
58.25617	0.2
59.01387	0.9
61.98832	100.0
67.40062	0.2
72.65480	0.2
78.95902	2.8
92.10115	0.3
149.00072	0.9
152.99622	1.6
217.69142	0.2
243.27235	0.2
370.37558	0.2
404.90158	0.3
446.20682	0.2
447.13519	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05808	0.5
51.77472	0.5
55.56635	0.5
59.01397	1.5
78.95901	8.6
110.98531	5.7
152.99588	3.3
167.01170	2.6
181.75389	0.6
185.02182	2.9
213.05595	0.6
233.22731	0.9
277.21756	100.0
278.22092	1.0
445.23520	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	445.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36684	0.2
54.83112	0.3
58.36291	0.3
59.01383	100.0
60.46529	0.3
60.58861	0.3
61.98836	1.8
72.68980	0.3
99.12577	0.3
116.92876	0.3
118.93186	0.3
125.09693	0.4
138.86200	0.3
152.09030	0.4
155.88022	0.3
163.11270	0.7
249.22334	1.1
252.03702	0.3
289.08832	0.3
293.17856	0.6
293.21249	26.1
311.22318	34.1
352.86670	0.3
353.38953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55540	0.3
59.01388	100.0
61.98848	1.4
66.69122	0.3
70.66539	0.4
71.01371	0.4
78.91891	2.1
89.02493	0.4
91.04002	3.3
110.27949	0.3
119.05027	0.4
121.02931	0.4
129.09175	0.5
181.12349	0.8
197.11754	0.4
211.13445	2.7
274.36331	0.3
293.21240	1.5
309.20462	0.3
311.22305	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	445.354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82905	0.9
56.46280	1.0
59.01384	100.0
60.45498	1.0
65.46918	1.0
68.07568	0.9
69.25457	1.0
76.58009	1.3
218.93161	1.2
261.51266	1.1
282.84818	1.2
365.37222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03463	12.4
58.94560	0.6
59.01394	100.0
61.87619	0.6
71.01385	13.6
73.02946	1.0
76.65247	0.6
83.01392	0.8
83.14171	0.6
85.02959	5.0
85.14194	0.6
89.02444	11.0
91.20237	0.6
95.01531	0.7
95.05035	3.0
97.06586	3.5
99.00883	0.9
101.02446	6.8
109.06590	3.7
113.02448	6.6
117.34685	0.8
119.03497	4.1
121.06583	1.4
123.04543	6.8
123.08134	3.3
135.08145	1.1
137.09744	0.8
138.06950	0.8
147.08176	5.7
149.09711	3.6
151.11255	6.6
153.09203	1.5
159.02997	0.8
161.04596	13.2
161.09737	3.4
163.07681	1.2
163.11302	10.4
164.08437	1.5
171.08168	1.4
175.11307	1.5
177.12889	4.2
179.05582	4.2
179.10785	94.6
180.11108	0.9
181.12404	0.8
187.11307	11.1
188.08559	0.8
189.09215	2.9
190.10049	2.6
203.10759	3.6
205.12363	87.1
223.13397	11.5
341.16037	4.7
367.17517	3.2
385.18835	1.5
389.99097	1.0
422.25989	0.8
445.20963	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82434	6.2
55.97979	6.4
57.03456	100.0
59.01380	93.2
61.98822	11.2
63.14555	6.1
65.11194	5.5
68.40610	7.0
71.01369	16.1
83.01409	8.9
85.02961	7.5
99.04524	71.0
101.02448	40.4
125.02444	26.5
155.57689	8.8
166.48744	7.8
193.05107	7.8
201.71721	6.5
301.16580	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	445.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88993	1.5
59.01396	2.5
69.66616	1.9
77.23552	1.8
78.95892	30.3
84.30415	1.8
85.78506	1.8
104.97475	2.4
106.52992	1.9
110.98531	22.0
119.27888	1.9
125.62616	2.0
152.99586	14.4
167.01146	13.9
185.02213	3.1
272.27612	2.5
277.21719	100.0
325.99893	2.1
445.23624	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	445.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13523	0.2
59.01385	0.3
60.08854	0.2
61.98832	0.4
77.92403	0.2
78.95899	62.9
88.98799	0.4
89.74976	0.2
96.96960	7.7
105.74467	0.2
150.98004	3.0
152.99596	100.0
153.99960	0.2
158.14001	0.2
168.10490	0.2
171.00659	4.1
187.60986	0.2
291.19720	1.3
445.20004	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13169	0.2
57.03444	0.2
58.00610	0.3
59.01387	100.0
71.01382	13.6
71.01775	0.5
72.99310	1.1
83.05033	3.2
83.13294	0.2
85.02951	2.3
87.00894	0.3
89.02440	20.6
95.01392	1.1
101.02438	7.3
113.02444	5.7
119.03493	8.6
131.03519	1.0
136.13046	0.3
137.06058	0.4
141.00166	0.2
143.03500	2.1
149.04539	1.0
161.04553	2.2
168.24774	0.3
179.05612	14.4
195.76257	0.3
205.12224	0.3
229.75156	0.3
235.73012	0.3
445.20749	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1872
Annotation	Maoesin D
Peak:m/z	Relative Intensity
54.72375	0.5
58.68530	0.5
59.01389	100.0
61.98841	16.0
62.15446	0.7
78.95897	5.8
88.36794	0.6
93.03454	0.6
98.76850	0.7
107.03802	0.6
109.02978	0.6
116.92850	1.5
117.21955	0.6
121.02957	9.1
123.04530	0.9
136.03250	0.6
136.25836	0.6
146.03848	0.7
152.99606	8.4
161.06081	0.7
173.06097	1.5
174.06879	2.9
325.14465	1.0
328.13174	3.4
343.15430	4.3
370.14352	0.9
385.16614	6.8
403.17477	3.0
430.16519	1.1
445.18671	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	445.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
57.03462	2.0
58.32457	1.3
58.48486	1.3
59.01387	100.0
59.19290	1.3
62.06644	1.4
64.34373	1.8
66.90012	1.3
69.03496	1.5
71.01383	42.7
72.99315	3.9
73.02942	36.7
76.35033	1.6
78.95938	2.5
85.02952	12.5
86.00142	1.9
87.00863	17.1
87.04523	4.0
89.02444	32.8
96.96010	9.5
96.96971	2.2
99.04523	1.8
101.02449	34.1
102.50014	1.5
103.04012	10.0
113.02461	7.9
114.54664	1.7
115.04004	7.3
119.03543	11.6
119.05013	36.7
125.02402	1.6
131.03523	12.3
137.06064	3.4
143.03513	14.2
163.06123	17.9
205.05330	2.8
205.07106	19.1
220.07484	2.0
237.68228	1.7
299.11328	6.7
309.35190	1.8
445.11890	2.9
445.17334	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83065	0.5
59.01383	100.0
61.98840	1.3
83.87572	0.6
96.96011	0.8
261.23196	0.6
266.61234	0.7
291.19727	2.9
309.20862	4.4
367.10663	0.6
370.87128	0.6
443.24225	1.0
443.99716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83117	0.8
59.01383	100.0
60.23150	0.6
61.98836	0.9
64.35174	0.7
111.86259	0.7
166.37589	0.8
170.68842	0.7
209.11841	1.1
264.60010	0.8
358.78534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41272	0.2
57.03461	32.4
59.01390	2.9
67.38924	0.2
71.01382	0.4
74.04727	0.3
74.67854	0.2
76.08917	0.2
81.03453	0.5
83.01395	0.3
84.55730	0.2
99.04514	9.7
99.05167	0.3
101.02444	4.6
111.03992	0.3
113.62605	0.2
123.03266	7.1
125.02447	5.2
126.14488	0.2
138.05609	100.0
139.06033	0.3
143.03499	0.3
161.04559	0.4
174.21947	0.2
192.06737	0.5
269.53720	0.2
282.09830	2.8
300.10837	3.7
335.28363	0.3
342.11975	1.1
382.15112	1.2
390.83591	0.3
444.15009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.8
58.09569	0.5
59.01386	6.5
61.98835	0.9
65.43591	0.4
71.01399	2.3
73.02934	0.6
78.95939	0.7
79.70757	0.5
85.02994	0.7
87.00929	0.5
89.02435	0.6
92.10040	0.9
93.03502	0.7
96.96007	19.2
96.96959	0.9
101.02418	1.2
101.92489	0.5
116.92875	3.0
119.05045	3.0
121.02950	8.6
134.03748	0.7
135.04517	3.6
146.92174	0.6
149.02452	88.4
152.01154	4.6
161.04608	0.6
163.04018	4.9
164.04803	82.9
165.01921	0.8
167.03542	0.6
169.05067	2.3
178.61894	0.6
179.07150	23.4
193.01414	10.0
198.66432	0.5
205.05127	1.0
208.03787	27.9
220.07431	1.3
223.06140	100.0
265.07220	1.0
283.08081	0.7
295.11835	1.1
361.54205	0.6
385.11624	4.5
445.20364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33567	3.9
59.01383	36.0
61.34708	3.4
61.98841	16.1
67.94156	3.6
71.01382	61.5
73.02943	21.4
83.01394	4.5
84.95123	44.1
85.02950	27.5
85.35328	3.2
89.02462	5.9
96.95999	9.0
97.03022	3.3
99.00896	19.2
101.02438	32.1
107.05034	100.0
113.02449	29.6
115.51259	4.6
151.03966	7.7
160.34425	3.5
161.04576	32.3
192.39659	4.0
285.69861	4.3
401.14615	41.2
445.13446	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56465	0.3
59.01383	100.0
80.10147	0.3
91.03990	0.6
92.10155	0.5
111.08163	0.5
135.69540	0.4
137.62488	0.4
149.72528	0.4
197.11829	4.3
211.13353	0.5
244.09158	0.4
291.19653	3.5
309.20737	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	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59632	0.2
59.01384	100.0
61.98838	0.3
62.56238	0.3
64.23107	0.2
85.91096	0.2
91.04016	1.7
92.08282	0.2
92.10165	0.5
111.08137	2.0
121.02991	0.3
126.00555	0.2
169.12405	0.4
193.08369	0.3
197.11874	6.2
199.13371	0.4
211.13484	1.1
263.20166	0.5
290.53604	0.3
291.19711	4.9
291.92380	0.2
293.01477	0.2
309.20764	9.6
356.71835	0.3
383.07034	0.3
443.24200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82962	1.5
58.94890	1.1
59.01388	100.0
59.46937	1.0
59.78574	1.0
61.02944	1.6
82.89217	1.0
83.02475	1.1
83.33044	1.2
92.10040	3.2
153.12752	2.1
181.12401	2.7
227.12956	1.7
291.19705	23.2
309.20761	69.5
320.72592	1.4
347.15460	5.6
383.13312	13.8
383.24561	10.1
415.97571	1.3
464.91614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1609
Annotation	Petromurin C
Peak:m/z	Relative Intensity
58.02985	20.1
59.01381	23.9
61.26691	2.0
61.98829	2.9
71.01386	13.7
73.02945	2.4
74.02459	32.2
76.62568	2.0
81.04581	3.1
85.02964	3.7
86.02483	16.2
87.05656	4.1
89.02460	10.9
93.80661	2.5
96.96014	4.1
99.05627	35.7
101.02406	4.4
101.07178	2.8
102.05567	9.5
109.04068	6.1
112.04049	4.4
113.02435	3.4
116.92854	5.7
125.02980	21.4
128.03535	84.2
135.05638	12.7
140.05379	13.4
141.06703	3.9
143.04620	100.0
146.04611	10.9
153.06737	9.4
159.93535	2.6
166.09807	3.6
167.04610	3.3
167.08244	3.4
170.06462	11.4
179.04590	25.8
192.07904	2.7
210.08823	17.1
246.49423	2.9
254.07832	33.3
272.08875	58.9
279.37357	2.8
359.52060	3.2
376.84872	2.9
425.15057	5.8
443.15970	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1925
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.86022	0.7
57.03455	25.8
59.01385	38.3
59.10125	0.7
63.22828	0.8
71.01380	17.9
73.02956	1.0
81.03516	0.9
83.01373	0.9
85.02963	6.2
89.02442	12.6
95.01372	1.2
99.04528	12.6
101.02436	13.1
106.04276	4.7
108.02227	0.9
109.02983	1.4
111.04506	6.3
113.02484	4.6
116.92904	1.5
119.03495	3.3
119.05025	1.7
121.41312	1.0
123.08138	0.9
125.02427	6.1
125.09734	1.9
136.05318	0.8
137.06090	100.0
141.09227	1.2
161.04527	0.8
169.08873	0.9
201.12885	2.0
219.13860	0.9
230.79182	0.8
263.12827	1.0
328.06207	0.9
405.21707	1.0
443.19373	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93161	0.6
54.54739	0.6
55.15704	0.6
57.03450	0.8
58.00596	3.0
58.40070	0.5
59.01383	100.0
67.99482	0.6
71.01379	42.4
71.56660	0.6
72.99332	1.1
83.01380	1.3
84.02240	0.7
84.80143	0.6
85.02965	7.3
89.02441	53.7
90.62625	0.6
95.01379	3.1
101.02439	16.4
113.02451	15.5
113.33996	0.7
119.03491	16.9
131.03525	1.4
143.03471	3.9
144.89732	0.7
149.04544	0.9
161.04536	3.1
179.05595	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	443.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85266	0.5
56.30749	0.6
57.61873	0.6
77.69772	0.6
81.71920	0.6
83.08714	0.6
86.37759	0.6
89.66129	0.6
104.49883	0.6
104.61443	0.6
122.60963	0.7
132.44994	0.6
143.24988	0.7
159.08487	7.6
161.06383	3.1
217.07137	1.0
243.62880	0.6
261.04449	0.8
277.07483	4.0
280.65829	0.7
293.15714	0.7
357.13736	3.5
359.15424	100.0
360.15512	1.0
377.16232	0.9
425.20129	1.5
427.21686	46.5
443.24814	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24152	0.2
54.41257	0.2
59.01381	100.0
63.44724	0.2
84.95125	0.3
89.54541	0.2
92.06378	0.2
109.06544	0.2
116.92855	1.4
125.09710	0.3
134.04462	0.2
163.11308	1.0
165.12891	1.8
193.15999	0.3
211.13431	1.9
223.13403	0.9
247.20641	2.3
291.19684	27.5
292.19986	0.4
309.20743	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90319	1.9
53.81831	1.9
59.01390	31.2
59.68748	2.1
61.98837	62.3
71.01383	31.3
71.05017	5.4
78.95950	2.4
85.02972	2.6
89.02465	11.2
91.76490	2.6
95.33381	2.5
96.96015	21.6
101.02444	5.1
113.02496	3.8
126.12204	2.1
146.08247	63.7
170.49632	2.9
237.21416	2.3
247.67000	2.4
308.13794	3.0
375.99478	2.5
380.15686	100.0
404.37280	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	443.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82509	0.7
57.03455	26.8
57.42530	0.7
59.01384	36.9
61.98867	1.1
71.01385	14.4
73.02985	1.2
75.82531	0.9
82.05725	0.8
83.01418	1.3
85.02985	4.2
89.02447	10.1
89.10152	0.8
91.21482	0.8
93.03471	1.1
99.04529	12.9
101.02455	10.7
106.04269	3.2
109.02989	1.7
111.04545	4.5
111.50744	0.9
113.02477	5.5
119.03505	3.5
119.05066	4.1
125.02454	9.3
128.09601	0.9
134.48901	0.9
136.05290	1.1
137.06081	100.0
137.09763	1.2
164.98311	1.3
186.75502	0.9
201.12836	1.9
219.13895	1.2
221.91023	0.9
299.11102	0.9
443.19418	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.55916	0.5
61.82232	0.5
64.34778	0.5
65.58575	0.4
68.21198	0.5
68.28754	0.5
147.16338	0.5
159.90591	0.5
289.18079	2.3
307.19107	2.6
363.85397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53253	0.4
56.36871	0.4
59.01384	100.0
60.26628	0.5
62.97065	0.5
65.40175	0.4
66.34579	0.4
67.51421	0.4
84.71947	0.5
90.06942	0.5
108.62675	0.5
133.56482	0.5
134.31552	0.5
151.11302	0.6
160.42725	0.5
239.07901	0.6
305.92706	0.5
307.19144	2.1
466.40472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3226
Annotation	oscr#33
Peak:m/z	Relative Intensity
54.50062	1.5
55.73156	1.5
57.03458	3.7
58.30381	1.6
59.01392	41.1
97.06599	17.8
99.86069	2.2
121.79328	1.7
123.08126	13.0
125.09715	100.0
178.39940	1.8
187.09770	21.1
266.99472	1.8
271.22845	33.7
276.18195	1.7
441.32269	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82636	0.3
59.01384	0.7
68.47311	0.3
73.02946	1.6
99.00887	1.7
99.92585	11.5
107.76355	0.3
114.55894	0.3
116.92856	100.0
117.01953	2.5
117.92875	0.5
129.09207	0.5
167.28325	0.3
192.23804	0.4
194.80707	0.3
295.22763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31173	5.9
59.01382	58.9
61.98844	9.2
73.86035	6.1
74.30584	7.2
74.99279	7.0
76.46244	7.6
82.95432	10.4
98.93791	7.2
108.52671	7.4
114.38785	8.4
121.02905	10.8
135.04520	12.7
178.10081	7.3
180.34879	8.0
193.12305	15.5
211.13464	15.5
257.19107	16.4
263.20630	7.9
273.18741	8.0
275.20004	13.2
279.64786	8.5
291.19626	11.2
301.18225	12.1
305.17706	13.5
307.19077	14.3
319.19113	100.0
335.18729	14.5
345.17184	62.5
359.01328	8.8
363.18106	31.0
375.18149	42.1
387.18204	16.5
405.19159	49.1
423.20142	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85709	0.5
53.96636	0.6
54.82780	0.5
57.14685	0.6
59.01388	100.0
61.72211	0.7
62.44274	0.6
84.58833	0.6
93.16302	0.6
108.54073	0.7
109.14706	0.7
116.44247	0.6
121.58866	0.6
174.99164	0.6
200.82935	0.7
209.11874	0.7
217.00331	1.1
289.18118	2.8
307.18964	4.5
353.82809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	11.0
61.98845	1.5
75.44612	1.8
82.95432	18.0
88.04361	1.3
97.06607	1.8
112.98759	2.2
135.04550	1.9
136.05283	6.7
149.06065	1.7
161.06021	2.9
168.04253	1.6
174.01773	10.7
181.08708	24.4
191.07187	2.2
209.08189	11.4
211.13719	2.1
227.77547	1.7
239.07129	1.8
253.08725	2.1
283.09824	2.5
284.10544	10.0
285.11349	11.3
297.11490	2.2
313.10883	54.7
325.10852	5.7
325.20258	2.0
326.11621	3.0
344.12714	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	441.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44355	7.1
59.01382	57.4
68.30359	8.9
71.01382	9.4
77.75558	10.1
78.47802	9.5
84.95145	51.0
87.00904	14.4
99.00864	19.7
105.56974	9.4
112.98827	16.4
115.00391	13.2
115.86179	9.6
131.33676	9.0
142.99849	41.7
174.01692	100.0
177.43918	10.0
213.19133	9.2
267.19864	12.5
275.20090	10.9
423.20288	16.0
441.19138	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	441.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33008	1.5
57.03454	1.5
59.01386	100.0
61.98833	2.2
71.01395	3.2
72.99310	6.1
75.00871	22.1
77.83521	1.4
82.95413	15.1
83.05079	2.5
87.00899	2.5
97.06594	1.7
99.00304	1.6
99.00876	11.0
111.25336	1.5
112.98786	3.7
113.09743	1.8
115.00370	3.5
116.92863	2.0
117.01939	1.8
121.02940	7.7
122.03766	1.5
128.03580	2.2
133.33966	1.7
135.02980	13.3
135.04564	5.7
137.09715	9.3
139.07666	1.5
142.99852	6.6
148.80811	1.9
149.02469	2.1
151.04016	6.1
156.00682	2.5
161.09663	1.9
163.11243	2.1
165.12848	2.8
167.10818	1.5
173.00838	1.8
174.01707	28.0
175.02463	2.4
175.07689	1.8
178.09984	8.9
179.10799	3.0
181.08516	2.3
193.12369	6.5
204.11588	1.8
217.19760	2.6
218.58636	1.7
225.11215	2.0
235.20987	1.7
245.19046	3.4
251.20145	12.9
257.19104	15.6
261.18814	2.9
267.19653	7.0
275.20245	9.8
279.19727	10.5
283.07242	1.8
287.20233	1.7
289.18134	20.5
291.19806	3.1
295.19321	1.9
301.17984	6.3
305.17691	17.0
307.19186	22.2
319.19235	38.3
323.18796	20.9
333.17056	1.9
335.18600	3.4
343.19278	3.6
344.12610	6.4
345.17105	31.7
357.17120	2.4
361.20233	7.4
363.18134	13.5
375.18198	17.2
381.19147	6.1
387.18210	11.2
405.19080	16.9
414.23087	1.9
423.20374	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.8
57.03458	10.6
59.01383	55.9
61.58262	1.0
61.98830	26.5
64.34335	1.1
69.03476	0.9
71.01380	32.1
71.01769	1.1
72.99320	1.7
73.02963	1.4
79.05535	1.3
83.01381	2.1
83.05036	2.4
85.02955	8.4
87.00868	1.1
89.02444	25.9
93.03417	1.2
95.04993	1.5
97.02961	1.2
99.04528	5.1
101.02440	13.7
113.02460	11.0
119.03478	11.9
121.06578	4.7
122.03762	1.1
123.08141	1.2
125.06052	4.9
125.65207	1.0
135.08122	1.4
136.05238	1.8
137.09674	1.7
139.07593	4.3
143.03470	1.0
147.08170	1.2
147.11777	6.5
151.07658	26.8
151.11285	5.8
152.01160	0.9
158.07362	1.6
159.08186	1.2
161.04602	1.6
167.07153	5.2
171.11833	1.8
173.09685	4.8
179.05643	4.8
179.07120	2.4
180.07886	1.1
184.08946	12.9
187.07608	1.5
187.11296	5.8
189.12828	14.9
199.11282	7.9
199.87216	1.2
201.09230	9.8
202.09949	7.0
205.08775	1.1
205.12344	2.1
215.10820	4.4
217.12349	50.1
235.13469	10.7
261.11331	2.6
279.12512	1.3
330.13440	1.2
441.17725	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	Norkurarinol
Peak:m/z	Relative Intensity
59.01388	12.6
60.81925	1.8
61.98835	2.2
86.68151	1.9
88.07993	2.3
89.99311	1.8
95.37350	1.9
97.06581	1.9
116.92863	13.4
121.02883	2.1
127.07684	3.0
138.96342	2.1
159.04443	3.5
165.12859	3.6
172.05414	2.6
174.03235	3.8
188.04747	2.3
204.07922	10.6
205.08757	3.7
211.13403	7.4
217.08681	3.1
217.12274	2.2
222.42886	2.4
229.28107	2.9
233.08195	17.6
233.11858	10.8
241.14503	4.5
243.27298	2.1
245.11797	3.0
247.13681	2.9
259.13333	4.4
263.12949	2.9
277.14545	3.3
283.92892	1.9
293.21295	28.1
295.09967	2.2
309.11383	3.5
323.12753	2.7
333.20892	3.0
339.12585	3.6
355.15866	2.6
411.18265	11.3
441.19247	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	441.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45471	2.1
52.59576	1.9
54.83168	2.4
59.01382	100.0
71.01384	20.7
73.02975	2.9
80.91691	14.2
83.01381	4.4
85.02967	3.4
89.02440	23.9
93.03465	11.1
95.01383	3.0
96.95992	35.5
101.02457	6.3
113.02432	10.5
119.03476	6.1
122.03724	3.3
136.05356	2.8
145.06561	4.3
146.03740	4.6
159.04460	3.2
164.04865	6.3
175.07664	3.3
179.07129	15.0
182.05896	6.0
189.05571	94.2
197.08176	27.4
219.06641	89.7
278.66949	3.2
359.13501	5.5
381.11673	28.8
405.21378	4.9
416.93579	3.1
441.19366	19.0
447.49265	2.7
462.54422	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24149	2.6
59.01390	17.1
59.52626	2.6
60.34074	2.7
61.98854	2.9
87.75934	3.3
89.89653	3.2
96.95991	4.2
116.92856	3.7
121.74059	3.2
136.05289	12.8
180.21605	2.8
181.08707	17.0
192.46672	3.1
209.08258	7.0
211.13414	3.9
217.00397	7.0
224.77440	3.0
243.49631	3.3
284.10617	5.0
285.11374	17.9
293.21301	3.7
295.09903	5.6
313.10828	51.2
325.11084	4.8
327.73126	3.5
344.12692	100.0
398.87109	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	441.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68623	3.2
59.01387	95.8
59.01656	5.7
63.78738	2.9
71.01402	17.3
73.02944	4.7
77.68464	3.2
79.26685	3.0
80.91676	7.5
83.01404	6.0
85.02959	3.6
87.48059	3.2
89.02470	7.0
91.94357	3.6
93.03484	15.5
96.96031	27.5
101.02470	9.1
130.04242	6.2
133.06606	3.9
145.06616	4.0
164.04744	4.1
179.07193	5.1
182.05865	17.9
189.05586	100.0
197.08218	17.1
210.70627	4.9
219.06621	85.7
227.29160	3.7
260.99155	4.7
309.25357	4.2
359.13431	8.5
381.11591	22.2
441.18732	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	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.3
57.03450	2.3
58.00600	3.1
59.01384	100.0
65.49723	0.5
67.01862	0.6
70.69205	0.5
71.01382	47.8
72.99313	2.7
73.02931	2.6
83.01397	3.7
85.02959	11.8
87.00862	1.1
89.02443	45.1
95.01380	4.3
95.04992	0.6
97.02941	1.5
101.02438	28.1
101.85381	0.7
107.05021	1.3
107.78276	0.6
108.06975	0.6
109.02953	7.9
113.02451	16.3
113.28845	0.6
116.60336	0.6
117.45815	0.6
119.03482	16.0
121.06586	0.9
122.03752	1.4
124.05294	2.7
133.06599	14.8
135.08180	0.6
136.05316	0.9
137.06081	2.6
139.07657	14.5
143.03493	1.5
149.06088	2.8
151.07687	0.7
161.04440	4.3
163.07645	0.8
169.08659	0.6
179.05603	1.2
187.11371	0.6
190.10086	0.6
199.11356	0.6
204.11569	0.7
205.12329	4.0
217.12445	4.8
235.13475	1.4
261.11136	0.7
300.49646	0.7
330.13287	18.9
331.13980	11.0
397.18857	2.8
441.17703	62.0
442.18921	0.7
445.29608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75724	0.6
59.01382	100.0
71.01398	1.3
89.83678	0.7
96.96004	3.2
102.98872	0.7
113.02560	0.8
117.00469	2.9
137.06067	1.2
141.00533	1.3
141.01704	37.7
151.02180	0.8
243.03636	1.5
273.55646	0.9
381.10382	4.9
441.19519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	99.5
71.01383	37.3
71.58603	4.1
73.02956	14.9
80.91712	18.2
83.01393	9.3
85.02960	14.0
89.02444	6.8
93.03476	23.5
96.96022	41.6
98.95641	3.5
99.00913	4.0
101.02455	19.7
101.44098	3.7
106.74036	4.0
113.02460	6.5
116.92864	8.3
121.02953	4.8
122.03738	17.4
145.06599	9.4
169.71342	4.1
182.05878	41.3
189.05582	92.5
197.08195	63.5
215.45268	4.0
218.04715	4.7
219.06639	100.0
359.13504	42.5
370.59348	4.3
381.11658	51.7
425.10901	6.2
437.99945	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	441.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33007	1.1
55.01881	1.4
59.01385	72.3
71.01398	12.2
73.02949	1.7
77.86947	1.3
80.91690	7.3
83.01389	13.1
85.02962	6.2
87.00889	1.4
89.02433	2.2
93.03457	17.4
95.01387	8.0
96.95992	17.2
101.02437	5.3
113.02460	2.3
116.92840	5.4
119.04996	2.6
122.03723	5.1
130.04254	7.6
131.32249	1.3
145.06604	9.1
159.04491	5.6
161.04704	1.6
175.07634	2.1
182.05891	11.9
189.05576	100.0
197.08217	20.6
219.06647	88.4
359.13364	14.1
381.11630	11.6
425.10437	2.0
467.12070	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	440.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82598	0.3
57.03445	0.8
59.01385	0.7
61.98838	100.0
62.98936	0.3
71.99508	0.4
73.52282	0.4
79.95757	0.4
85.18616	0.4
96.96001	0.9
116.33028	0.4
201.41061	0.6
324.84677	0.4
327.22507	0.4
441.12372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39365	0.5
57.03449	0.8
59.01387	1.5
60.75260	0.5
61.98833	100.0
71.86931	0.6
76.89757	0.6
96.95998	0.8
105.00659	0.7
110.86519	0.6
126.64626	0.6
152.64400	0.6
202.63196	0.7
274.59338	0.7
309.95493	0.7
349.99350	0.7
454.12723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52923	0.4
52.87026	0.4
59.01389	0.7
60.17624	0.4
61.98841	0.7
63.02563	0.4
67.89504	0.4
72.95152	0.4
79.95737	37.7
80.96516	0.8
84.11198	0.4
95.94593	0.8
95.95226	31.9
96.96006	100.0
110.97591	8.8
121.02950	0.9
122.03810	0.6
135.04518	0.5
136.99138	10.7
141.95741	1.0
165.05540	2.1
167.00198	64.8
215.08333	0.6
216.08797	0.6
231.11441	4.4
232.11739	2.9
257.09341	3.2
258.09531	2.5
259.02423	0.6
273.04434	1.0
275.10385	2.1
276.10748	1.9
287.05997	2.6
303.05383	3.3
335.13315	0.5
395.08096	0.8
426.09912	2.7
441.12314	87.8
442.12494	0.7
460.93152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88447	0.8
80.36018	0.9
83.79419	0.9
84.88750	0.9
109.04881	0.9
116.84422	1.0
117.03463	28.3
119.05030	4.5
121.02903	1.1
121.64021	1.0
145.02965	100.0
220.50821	1.0
223.20612	1.3
289.17908	2.1
291.19440	21.3
371.25870	6.4
388.17014	1.1
439.24719	66.8
453.05197	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19885	0.6
54.82538	0.8
62.16997	0.8
65.70235	0.8
92.10873	1.7
117.03466	27.8
117.04272	1.5
117.19810	0.8
119.05016	4.4
121.03001	0.8
145.02963	100.0
147.04520	1.0
153.07629	0.9
163.03979	1.2
189.08171	1.0
191.44008	0.8
223.20659	1.8
231.13631	1.2
238.43088	0.9
289.17853	2.0
291.19461	19.2
295.08542	0.8
318.15375	0.9
371.26169	7.0
439.24704	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2472
Annotation	25R-Spirostan-4-ene-3,6,12-trione
Peak:m/z	Relative Intensity
56.35901	41.0
59.01405	100.0
61.98823	64.3
62.37249	38.5
73.91759	41.9
80.25987	38.2
92.80321	43.6
96.73564	39.8
96.96046	64.8
99.27763	49.5
102.83865	40.5
255.29747	46.6
439.24814	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42038	0.4
63.96249	0.4
79.51339	0.5
88.06242	0.4
92.57125	0.4
132.98801	0.4
145.10576	100.0
146.82898	0.4
158.62331	0.4
159.53288	0.4
164.03050	3.1
165.03819	0.6
174.84642	0.4
176.63449	0.4
188.02000	0.4
189.65378	0.4
196.01984	2.4
277.16284	2.1
278.17056	0.8
295.17310	1.7
309.13486	0.8
310.16162	4.7
439.27145	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	439.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36384	1.8
53.00985	1.7
54.77547	2.0
56.28885	1.9
58.47268	1.7
59.01382	100.0
64.21702	2.0
67.59702	2.1
78.00079	1.9
82.31079	2.1
97.62591	1.9
98.14375	1.8
112.26840	2.1
163.11337	7.6
181.79185	2.3
221.63654	2.2
235.17490	2.5
257.13724	2.1
272.47601	2.4
305.57803	2.2
339.23087	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79711	4.1
59.01390	11.3
59.86410	3.7
68.99578	34.9
71.01411	8.0
80.75172	4.0
83.01413	6.0
87.00880	8.1
105.70296	4.7
107.53152	4.5
112.98624	38.0
115.00412	11.5
142.99884	23.7
173.00899	6.3
174.01695	100.0
175.02420	9.7
183.95097	4.7
252.24376	5.6
253.18430	5.6
256.77112	5.2
265.18222	9.9
317.17780	5.5
329.02805	5.0
421.18405	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	439.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15406	2.3
59.01373	20.6
61.37813	2.3
61.78983	2.5
61.98846	3.2
63.36465	2.3
65.96215	2.4
71.01398	6.5
72.99324	6.3
75.00875	35.9
76.58231	3.7
76.69708	2.5
82.95413	100.0
87.00879	3.6
99.00887	11.3
104.28426	2.9
109.02962	3.8
109.06592	3.1
111.00875	3.8
111.08177	3.8
112.98845	12.5
115.00375	12.5
121.02979	3.7
121.56868	2.5
122.03728	3.8
126.19735	2.4
135.03003	20.3
137.09740	13.5
142.99908	21.4
149.02374	3.0
173.00880	3.2
174.01714	42.6
175.02490	6.2
175.07629	3.1
177.02026	3.6
189.09087	3.6
200.00125	2.7
215.18005	3.6
225.59474	3.1
235.99406	2.9
249.18642	15.1
255.17540	12.0
259.17090	5.8
265.18091	6.0
273.18604	5.5
277.18018	18.6
283.02866	3.0
299.16583	5.4
303.15985	28.2
304.09537	11.5
305.17667	6.1
317.17548	36.6
321.17065	16.9
333.17291	4.3
341.17822	3.7
343.15506	44.0
359.18848	3.4
361.16574	18.3
373.16513	19.0
385.16678	18.5
403.17819	14.9
421.18768	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	Globuliferin
Peak:m/z	Relative Intensity
51.97246	4.7
54.20106	4.9
59.01397	24.8
60.64202	5.5
68.99576	7.7
69.49503	5.3
71.01398	7.6
85.02986	6.2
96.96018	39.8
99.54556	5.5
101.02497	7.5
148.77769	6.3
256.34589	6.0
272.94238	6.4
316.68240	6.7
338.90704	7.3
439.17447	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	439.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	71.1
59.01382	100.0
68.99558	2.3
71.01379	39.5
73.02930	15.4
82.18747	1.7
83.01408	2.4
85.02959	13.0
87.00860	1.9
87.04533	2.1
89.02435	38.8
89.40584	1.7
95.01373	2.5
99.00896	7.3
99.04507	26.5
101.02434	46.7
113.02450	18.4
113.63351	1.8
119.03497	13.6
125.02453	22.1
131.66167	1.8
133.08679	7.4
143.03485	4.2
161.04506	7.2
172.14673	1.8
202.44002	1.8
277.12973	13.7
278.27945	2.0
295.14014	92.5
307.13956	2.5
337.15048	22.2
439.18176	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	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16301	0.3
70.89980	0.3
77.15673	0.3
78.95902	52.7
79.95727	0.4
96.96018	39.8
96.96975	100.0
98.29987	0.3
114.64972	0.3
128.63588	0.3
137.99544	0.4
172.68985	0.3
262.51883	0.4
439.08731	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98869	0.4
57.03454	28.7
59.01387	8.1
61.98835	3.6
71.01387	3.4
78.72686	0.6
78.95904	2.3
83.01380	0.8
85.02966	1.2
96.95993	0.6
99.04516	12.2
101.02448	5.0
113.02451	0.6
123.04577	0.8
125.02454	6.9
131.05016	0.7
132.05821	3.0
133.06593	100.0
140.08829	0.5
152.99583	1.2
161.04573	2.1
183.13905	0.8
211.13458	7.2
295.12140	0.8
314.47003	0.5
439.17233	3.1
448.01752	0.5
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	Globuliferin
Peak:m/z	Relative Intensity
51.92538	3.4
57.03474	5.1
58.34864	3.5
59.01381	34.3
61.98833	100.0
66.04704	3.9
71.01397	5.4
88.98831	4.5
89.02454	6.1
92.10128	4.7
96.96028	24.1
117.80480	4.1
128.32097	4.2
128.70155	3.7
171.07841	4.1
173.50624	4.2
188.45863	3.8
232.87685	4.4
423.57755	4.7
439.17523	97.3
449.77209	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	438.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74044	0.3
59.01388	0.4
61.98837	100.0
80.64850	0.3
86.86187	0.3
96.96008	3.4
107.29131	0.3
114.05610	0.4
121.52029	0.3
143.48077	0.3
155.91461	0.3
165.05473	0.4
207.24899	0.3
229.16811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61470	0.4
59.01400	2.5
60.76134	0.5
61.98835	100.0
63.29694	0.4
78.95918	0.5
96.96009	8.4
96.96954	1.1
97.64352	0.4
116.92891	1.2
121.00243	0.5
140.20622	0.6
152.64644	0.5
171.09981	0.5
208.95541	0.5
233.31201	0.5
276.38824	0.6
394.90097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37978	0.2
53.95057	0.3
60.49139	0.3
60.49470	0.3
60.52514	0.3
71.27395	0.3
78.95901	25.9
79.95757	1.4
83.04777	0.3
90.04469	0.3
96.96021	100.0
96.96970	44.2
117.26881	0.3
129.22209	0.3
138.81763	0.3
265.34061	0.4
355.17056	0.3
359.45770	0.4
399.77866	0.4
432.08698	0.3
439.08575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25461	9.9
51.34293	9.5
59.01383	78.9
61.98834	100.0
62.09491	11.4
66.29377	11.1
71.01383	10.7
72.83984	11.8
79.94108	10.7
80.91682	20.2
85.54623	10.1
92.10806	26.8
106.70220	12.3
107.01434	14.0
107.59357	12.0
107.63506	14.9
133.02962	82.9
145.02995	11.9
145.09286	11.7
151.00314	19.9
177.01936	15.3
437.23538	24.1
457.80609	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	437.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01414	1.0
51.74667	1.2
59.01382	8.2
61.98820	1.6
70.61109	1.1
74.33950	1.1
80.91666	3.0
109.06606	11.2
130.45512	1.5
135.08167	1.5
163.11308	7.0
167.14417	1.8
181.12418	2.0
183.13872	10.0
193.12381	1.9
207.10258	17.4
211.13425	100.0
223.13309	1.9
225.11397	17.7
231.14001	1.9
240.07730	1.5
383.22678	1.8
393.23050	2.6
401.23526	2.2
419.24399	11.1
447.12564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90955	8.0
52.79420	6.8
54.03431	7.5
56.15582	7.5
59.01385	59.4
60.99482	8.2
61.83042	10.1
61.98843	10.0
62.92872	9.9
65.03963	11.0
71.42393	9.6
85.03695	10.3
119.05078	9.4
125.09731	23.7
134.83670	8.8
148.75784	10.7
163.11253	14.8
171.10284	61.6
183.94540	8.9
187.14957	13.8
203.14265	14.2
221.00381	9.8
231.13895	60.2
232.48924	9.6
373.23792	18.4
383.22678	18.7
401.23325	100.0
419.24368	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	437.1586
Annotation	Ugonin N
Peak:m/z	Relative Intensity
53.44810	5.3
59.01392	45.5
61.98835	10.8
67.31968	7.4
71.01376	15.6
74.42821	6.2
81.30428	6.0
85.02946	7.9
85.14500	6.5
88.72562	7.4
88.98833	7.6
89.02455	9.0
119.04986	28.9
124.85983	6.4
125.10599	6.4
142.09052	7.5
143.04660	14.4
179.74284	7.9
185.02223	31.0
189.24873	7.1
201.95169	6.5
228.61935	6.8
437.07501	9.5
437.10010	8.4
437.15765	100.0
452.18378	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	437.1586
Annotation	Ugonin N
Peak:m/z	Relative Intensity
57.03454	3.8
59.01382	37.0
61.98849	5.0
71.01403	17.8
73.02992	3.1
85.02980	4.0
87.00912	5.0
89.00779	2.8
89.02462	12.2
92.10172	6.1
94.03020	3.0
96.95979	4.7
97.83859	2.9
101.02448	6.8
113.02456	4.1
119.03532	4.7
149.02472	3.8
151.07698	4.7
161.04552	15.1
163.07651	3.0
165.09229	3.8
179.05553	4.7
203.10872	23.1
221.11826	38.5
252.95438	3.8
259.65451	3.1
375.01215	4.0
383.17380	5.8
401.18311	5.7
437.15897	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	437.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
132.92728	67.3
149.44368	70.6
167.07143	68.7
175.21817	62.1
211.13406	94.6
298.35001	74.5
305.84042	75.1
368.52957	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	437.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62421	13.0
56.47712	11.7
56.62402	10.6
58.94951	10.8
59.01392	25.6
59.88287	10.8
61.98826	100.0
108.47223	14.0
121.02915	21.6
196.06712	15.2
211.13368	63.7
216.04411	14.2
277.75745	14.9
307.32202	14.9
437.23138	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	437.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52722	6.7
54.82748	9.4
59.01381	17.4
61.98836	100.0
65.65136	5.9
91.73404	6.9
114.95316	6.7
149.06073	13.9
202.01016	7.7
300.11563	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	435.9584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11300	1.5
54.82942	1.8
57.03448	4.3
58.27296	1.8
58.42337	2.1
59.01380	2.2
60.59132	1.8
67.01905	2.1
72.89356	1.8
77.69798	2.2
78.95918	8.9
85.02955	2.3
85.30335	2.1
87.92526	56.1
96.96009	50.4
103.92032	100.0
104.92798	57.8
105.93604	12.5
106.94411	2.4
111.00884	49.9
112.98824	12.0
114.94881	2.4
123.94614	23.0
130.94345	3.8
144.95958	41.2
145.01437	2.3
145.96747	52.9
147.94644	3.1
155.95181	2.2
156.95950	36.9
161.96219	45.2
163.97769	8.5
167.98746	4.1
173.96188	11.4
185.99849	17.4
189.95674	3.0
199.94167	28.5
200.94963	29.6
213.99315	5.1
216.05582	10.5
217.95221	12.0
257.98328	82.7
261.94250	15.9
283.96249	37.7
301.97311	12.5
312.21133	2.4
331.95096	2.4
337.07803	10.9
338.08173	5.3
344.06558	2.3
387.61761	2.2
436.06445	3.3
436.12222	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21747	3.7
58.02988	17.9
58.99601	3.4
59.01401	8.2
61.24105	3.4
61.98839	15.9
71.01392	3.7
74.02467	27.9
75.00892	20.3
75.28304	3.8
86.02500	17.2
87.05656	7.5
96.16183	3.9
96.96085	4.2
99.05624	35.2
99.53722	3.8
102.05623	5.4
109.04069	7.1
112.04028	4.4
127.05180	4.4
128.03516	68.7
135.05608	7.6
141.06772	7.9
143.04633	100.0
146.04518	8.0
160.00713	17.4
167.04613	5.4
179.04660	18.3
210.08891	17.7
231.00204	4.3
254.07932	15.4
272.08902	33.6
284.72812	3.9
288.06500	5.1
306.07690	93.3
319.01974	4.0
421.03558	4.5
436.13806	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	435.2155
Annotation	Lespedezaflavanone G
Peak:m/z	Relative Intensity
54.82865	21.6
59.01387	61.8
61.98838	100.0
65.12398	13.2
67.01588	16.0
111.24419	18.5
177.16966	14.1
301.20255	20.4
435.21774	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	435.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76414	14.2
57.03468	100.0
58.86860	15.8
59.01399	97.8
82.51234	16.2
99.04514	23.0
101.02471	18.4
107.18794	16.5
107.75408	15.0
130.99031	17.7
138.25136	15.9
150.64201	15.5
157.47905	19.4
160.94807	18.4
167.19507	15.0
382.03284	19.1
399.28784	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	435.2521
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
74.19702	0.3
78.35728	0.2
78.95900	58.9
86.33373	0.3
96.96949	8.6
108.39139	0.3
150.98012	1.6
152.99594	100.0
155.86494	0.3
168.34758	0.3
171.00647	4.0
179.16998	0.3
281.24930	1.6
320.29730	0.3
435.25290	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	435.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24783	0.3
57.60624	0.3
61.11070	0.2
75.80138	0.3
76.57539	0.4
78.95900	61.5
89.89011	0.3
96.40216	0.3
96.96955	7.7
118.52170	0.3
150.97971	2.5
152.99594	100.0
161.02507	0.4
171.00655	3.1
176.50105	0.3
187.94666	0.3
212.95807	0.3
237.89424	0.3
250.71556	0.3
281.24911	1.3
359.46460	0.3
435.25302	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	435.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03624	0.3
57.03457	0.7
59.01391	10.1
69.03438	0.4
70.35734	0.4
71.01386	6.7
72.73840	0.5
73.02968	1.7
76.01998	0.3
80.82993	0.4
83.01418	0.5
84.79487	0.4
85.02962	2.1
89.02447	5.4
89.47149	0.4
94.86523	0.4
95.01390	0.5
101.02451	6.3
109.20391	0.5
113.02466	2.3
119.03461	0.8
125.02450	0.5
131.03516	0.4
137.09688	4.6
149.09738	0.6
155.10782	100.0
156.11137	0.6
161.04568	1.7
179.02477	0.4
199.09807	5.5
235.08298	0.7
253.09325	5.5
434.89865	0.5
435.18716	42.4
436.18643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.6
57.03468	0.9
59.01392	9.5
61.98827	1.4
64.61317	0.5
71.01412	3.3
72.99293	0.4
73.02953	0.9
75.97016	0.5
81.53316	0.5
83.01413	0.6
85.02977	0.6
85.31488	0.4
87.00848	0.5
89.02470	3.2
95.01413	0.5
99.04472	0.5
101.02456	4.2
109.03010	0.8
113.02449	0.9
116.92864	6.6
119.04975	0.6
121.67255	0.5
125.02404	0.5
136.01740	0.5
137.02420	0.8
137.09726	3.5
146.20280	0.5
153.01918	1.7
155.10796	100.0
181.08730	0.6
195.10281	0.9
199.09789	6.6
200.79584	0.7
253.09285	3.1
273.14993	0.9
435.13275	1.8
435.18719	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82963	51.7
59.01387	53.1
59.67934	42.8
61.98848	61.7
71.66023	44.6
75.56242	49.0
95.60207	56.7
122.66407	56.4
141.47707	63.0
145.94286	54.3
152.99557	100.0
437.41202	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	76.7
61.98846	72.8
71.62401	41.0
75.00888	93.8
88.98802	100.0
127.28976	47.7
150.47137	52.4
151.00351	71.4
159.29051	49.5
161.62643	42.8
164.09172	47.8
209.11897	83.0
209.78508	51.4
248.34001	55.0
435.21802	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	15.2
60.99311	17.0
61.98846	8.0
71.53319	1.7
72.99323	1.8
78.95943	1.4
88.98801	100.0
97.41712	1.8
113.82301	1.4
209.83138	1.5
232.26852	1.4
269.04538	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	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09678	0.4
55.57605	0.4
58.00603	2.6
59.01390	2.9
64.34358	0.4
71.01393	3.1
72.83344	0.4
73.02950	0.9
77.96238	0.5
83.01414	0.5
85.02972	1.2
87.00893	2.7
89.73391	0.5
92.10762	0.8
96.96011	0.7
101.02440	2.9
111.00845	0.8
113.02444	0.7
121.02941	2.1
122.03725	0.9
145.02965	4.1
146.03745	1.1
147.04507	0.8
149.02443	46.9
150.03227	60.7
153.05511	0.5
161.02451	3.1
161.04491	3.6
162.03209	5.1
163.03973	0.9
164.04779	23.3
165.05565	100.0
177.05521	1.2
177.44920	0.5
180.04285	5.0
189.18513	0.5
195.06625	27.1
243.53545	0.5
327.10886	22.1
357.11954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98827	12.1
71.01393	1.4
71.70096	1.0
78.95878	1.8
150.02795	1.0
185.15436	2.4
215.16373	8.3
227.16486	2.2
375.27655	7.7
386.33450	1.4
413.10074	1.4
416.03415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03834	0.4
59.01383	1.1
60.01738	0.5
61.98831	100.0
69.21313	0.4
69.89908	0.4
97.51189	0.5
128.71649	0.5
130.86314	0.5
137.05844	0.6
150.03313	1.8
156.35545	0.5
190.36877	0.6
209.04512	0.8
213.60805	0.5
217.50861	0.6
246.28119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07692	0.5
53.98410	0.4
54.44977	0.4
54.82853	0.4
55.65494	0.5
56.27185	0.5
59.01382	1.2
61.98833	100.0
71.01395	0.8
75.00871	0.6
83.13919	0.6
86.06022	0.6
107.05027	1.3
109.30194	0.5
121.02963	1.0
122.03775	1.3
124.12074	0.6
181.77702	0.5
216.07159	0.5
229.08743	1.2
271.35788	0.6
273.07547	0.7
294.98883	0.6
326.34940	0.7
371.17191	2.3
435.13077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
59.34510	0.2
59.78960	0.2
60.51815	0.2
61.01831	0.2
61.98830	100.0
65.90793	0.2
67.35217	0.2
67.37550	0.2
70.40895	0.2
83.32980	0.2
96.50262	0.2
110.78072	0.2
112.79284	0.2
124.85190	0.2
140.00618	0.2
151.00378	0.2
272.06384	0.3
338.32175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88670	0.2
63.54157	0.3
66.94903	0.3
85.27328	0.2
85.77033	0.4
102.05970	0.3
105.03504	0.4
110.70050	0.3
117.03468	2.1
123.04558	0.4
132.02182	0.6
133.02957	28.1
134.03751	4.2
135.04532	11.6
135.65123	0.3
137.02458	1.2
161.02451	100.0
162.02832	0.3
179.03485	2.5
225.22304	0.6
253.21759	0.4
271.22784	11.8
347.26135	0.6
415.24954	2.4
433.25995	37.3
434.26041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85358	0.3
69.43375	0.4
76.57222	0.5
76.94342	0.5
85.75792	0.5
87.00865	6.5
117.03442	23.6
118.37320	0.5
119.05009	33.8
121.02938	3.1
145.02953	100.0
146.03308	0.6
163.04005	20.3
170.74854	0.5
175.14981	0.5
269.21313	2.3
271.49118	0.5
287.22324	8.4
386.46127	0.5
433.26025	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60268	0.2
51.96955	0.2
52.73928	0.1
56.21129	0.1
59.01381	1.8
63.05167	0.1
78.95895	14.3
81.65081	0.2
93.03436	0.3
96.96969	1.1
117.03460	100.0
118.03777	0.9
135.04498	0.4
144.18565	0.2
150.98029	0.3
152.99586	20.6
161.02440	19.3
171.00603	0.4
185.24915	0.2
200.32011	0.2
213.74147	0.2
225.22290	0.2
253.09856	0.2
271.22824	5.6
279.23215	0.3
312.38541	0.2
433.24298	1.7
439.54117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35052	0.4
51.40790	0.4
54.56659	0.4
59.01378	0.7
60.35505	0.4
74.97197	0.4
78.22930	0.4
117.03464	26.2
117.04273	1.1
119.05021	36.9
121.02974	3.4
145.02957	100.0
152.99519	0.8
163.04008	18.7
193.15944	0.6
194.15816	0.5
217.74130	0.5
219.93282	0.5
269.21252	2.8
287.22333	8.3
389.74991	0.6
433.25998	32.9
434.26144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52525	0.9
58.64983	0.9
59.01381	100.0
61.98839	1.6
83.01392	1.0
84.25719	0.9
89.36750	1.1
93.13983	1.0
97.06595	7.0
120.54522	0.9
122.07074	1.0
127.07583	1.7
129.09207	4.3
132.71063	0.9
135.08163	7.0
139.07622	2.1
141.09206	1.9
155.10789	5.0
157.08731	8.7
168.36156	1.0
169.08647	7.5
175.02403	1.3
181.08699	2.6
183.10234	7.4
211.13422	16.4
219.17523	5.9
263.16531	12.5
271.06076	1.5
281.17618	23.9
287.22415	1.1
299.18640	21.4
328.09555	1.7
355.21384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72229	2.5
52.02518	3.4
54.26699	2.7
57.03450	5.6
59.01385	81.1
61.98849	5.0
62.56755	3.4
71.01385	84.3
71.01724	4.8
71.52457	3.3
73.02962	8.2
83.01392	3.4
85.02946	39.5
89.02428	26.5
95.01400	6.8
96.96011	6.0
98.66058	3.9
101.02439	47.0
110.48198	3.7
111.08170	17.4
113.02466	35.8
121.02976	4.1
130.08733	41.7
139.07640	53.9
150.03122	4.2
159.02940	5.6
161.04556	100.0
172.09879	33.5
193.05115	6.7
211.09612	4.0
233.06662	18.0
265.94431	4.4
373.15164	58.7
421.65833	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	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05165	0.9
57.03465	1.3
59.01384	13.9
60.14042	0.9
60.84329	0.8
61.98835	2.2
63.45339	0.9
71.01381	7.7
72.99312	40.4
73.02966	1.0
75.00877	21.8
76.33781	0.9
83.01413	2.2
83.05032	4.3
83.06168	1.1
84.02173	1.5
84.32529	0.9
85.02980	6.2
87.00881	12.3
87.01350	0.9
88.98818	4.8
97.06590	1.1
109.02924	1.4
115.00374	32.8
117.75690	0.9
119.05004	2.0
121.02950	2.0
123.08111	1.8
124.01701	1.4
125.09731	13.6
130.90695	1.0
135.03001	6.5
138.30501	1.0
144.12448	1.4
151.00308	1.5
163.11299	1.4
175.02489	43.2
175.11333	1.6
177.12772	5.3
187.09727	2.4
191.10747	1.7
193.12387	11.0
203.10846	1.9
209.11847	19.7
211.13446	5.1
213.26457	1.0
219.10226	4.9
221.11845	26.1
223.57886	1.2
227.62560	1.1
237.11267	11.8
239.13031	1.3
241.14491	11.2
245.27107	1.0
247.09735	2.7
250.84479	1.1
253.14482	4.6
255.12453	4.6
265.10843	25.1
269.08105	1.2
269.13730	1.3
271.06192	1.7
283.12015	2.4
296.07086	2.0
311.09305	8.5
313.12976	19.0
314.11646	1.7
315.14548	100.0
329.13913	6.5
341.13629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83072	19.6
59.01388	37.8
63.40117	20.6
66.13313	23.9
77.02795	22.6
108.24147	25.3
117.09804	25.7
126.24487	22.9
132.07353	22.6
133.02945	27.2
156.00827	25.7
177.01912	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	433.2361
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.98748	0.2
78.95896	62.8
88.42006	0.2
93.02849	0.2
96.86195	0.2
96.96945	8.0
133.04030	0.2
150.97990	2.2
152.99590	100.0
171.00613	3.7
213.22916	0.2
242.40329	0.3
279.23376	1.7
340.81308	0.3
433.23602	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	433.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82528	0.3
55.34395	0.2
56.38564	0.2
58.02972	1.4
58.26886	0.3
58.51119	0.2
58.98095	0.3
59.01384	2.3
61.98825	0.5
71.01373	0.5
88.98795	0.3
96.95988	1.3
128.10802	5.8
130.08728	100.0
131.09073	0.3
140.65927	0.3
172.09790	74.4
216.08833	1.2
284.93433	0.3
305.69019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.3
60.80478	1.0
63.02407	2.7
65.00327	16.2
70.34066	1.1
75.57667	1.4
81.03467	6.6
83.01393	12.7
83.01820	1.4
89.02486	1.7
92.10826	2.1
93.03465	12.5
95.01403	2.8
97.02945	7.9
105.03461	1.7
107.01407	28.1
116.34616	1.2
117.03437	1.4
119.05021	100.0
121.02917	10.7
123.00903	2.5
125.02444	20.1
133.02855	1.3
135.00845	1.4
137.02455	6.5
143.05020	7.0
145.02953	7.9
149.02414	9.8
150.99161	2.3
151.00386	69.1
163.00389	6.9
165.01968	15.7
167.03459	4.7
169.01442	2.1
177.01962	4.9
185.06046	6.8
187.04021	7.8
191.03444	2.9
193.01430	34.0
196.70012	1.4
199.07692	2.2
207.03030	2.7
223.02475	2.2
227.07121	3.0
269.08209	1.8
271.06134	73.6
283.05930	2.7
305.64676	1.6
313.07245	91.1
329.22696	1.4
343.08261	27.7
433.11438	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	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
65.00320	5.8
68.99828	0.8
69.03459	1.1
71.01399	0.9
79.01913	2.6
81.03451	4.6
83.01382	5.5
93.03447	8.2
95.01405	2.5
95.05023	0.8
97.02942	9.3
99.04515	0.5
105.03480	3.0
107.01392	8.9
107.05030	0.6
109.02978	2.2
111.04519	0.9
113.02452	0.5
117.03453	2.2
119.05020	61.2
121.02952	11.5
123.00895	3.4
123.04546	1.0
125.02436	20.6
133.02921	1.1
135.00891	1.0
135.04527	0.9
136.01643	2.2
137.02455	6.4
143.05032	4.9
145.02937	5.9
145.13614	0.5
147.04459	0.7
149.02451	9.1
151.00368	19.2
155.03520	0.7
158.30922	0.4
161.02464	0.6
161.06070	2.6
163.00369	9.9
163.04021	2.1
164.01152	2.1
165.01923	14.0
167.03485	3.9
177.01930	3.2
179.03503	2.7
185.06075	2.7
187.04013	4.9
190.99866	0.8
191.03558	2.3
193.01425	34.7
199.07690	2.4
205.01433	3.6
207.02974	3.0
219.03065	3.5
223.00539	0.5
223.02440	4.0
227.07233	2.4
241.08759	0.9
245.08223	0.8
269.08310	3.2
271.06110	10.8
271.08798	0.7
282.42059	0.5
283.06165	3.1
285.07703	0.6
313.07220	100.0
314.07663	0.7
325.07141	1.1
343.08261	27.7
355.08469	0.6
359.84338	0.5
398.33755	0.6
400.33188	0.5
415.10025	2.0
433.11417	23.8
447.23294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.65638	0.3
56.53694	0.3
63.02411	4.1
65.00326	7.8
75.80818	0.3
77.86707	0.4
83.01386	5.9
89.04057	0.4
89.26253	0.3
91.84163	0.4
93.03452	10.5
93.03996	0.5
102.67179	0.4
104.07175	0.4
105.11758	0.4
107.01394	19.1
108.02202	0.6
111.68414	0.4
119.05028	63.5
120.05338	0.6
121.02948	0.4
125.02438	1.7
128.66597	0.4
131.01370	0.4
136.01625	0.8
138.21254	0.4
145.02885	0.6
151.00381	57.5
161.06090	0.5
164.01186	0.7
165.01924	2.6
169.01451	1.8
169.05531	0.4
175.00389	2.1
177.01938	7.7
187.04051	0.9
187.68372	0.4
193.01434	1.6
227.07172	0.6
253.05090	0.5
264.91348	0.4
271.06146	100.0
272.06476	2.2
313.07263	0.9
348.95972	0.4
433.11884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83346	0.4
57.03436	0.3
59.01146	0.3
59.01384	4.6
61.98808	0.3
63.02402	0.6
65.00325	5.0
67.01878	0.7
68.99815	0.4
69.03445	0.7
70.13570	0.3
71.01362	1.9
77.03957	0.5
78.82322	0.3
79.01880	2.0
80.61491	0.3
81.03457	3.9
83.01389	5.3
85.02959	0.6
89.02431	0.6
89.32822	0.3
93.03450	8.9
95.01375	2.3
95.05013	1.2
95.58047	0.3
96.95972	1.6
97.02950	7.1
101.02423	1.7
105.03468	2.6
107.01399	9.0
108.02157	0.4
109.02956	2.3
111.91086	0.3
113.02422	1.5
117.03438	0.8
119.05022	62.9
121.02956	10.7
123.00877	2.8
123.04522	1.6
125.02444	21.8
133.02940	1.5
135.00885	1.0
135.04503	0.7
136.01714	2.3
137.02458	6.3
143.05025	6.4
145.02963	5.7
147.04489	0.5
149.02457	8.6
151.00389	17.2
151.03943	0.7
155.03500	2.1
157.06575	0.5
161.06087	2.3
163.00391	10.2
163.04012	1.8
164.01128	2.3
165.01938	16.3
167.03522	4.7
171.07971	0.5
177.01949	3.8
179.03514	2.2
181.01399	0.4
185.06090	2.7
187.04034	5.1
190.99825	1.3
191.03543	2.2
193.01436	31.2
193.67722	0.3
197.06129	0.5
199.07645	1.6
203.07188	0.5
205.01437	1.3
207.03050	3.1
219.02980	2.2
223.02544	4.7
227.07162	2.7
229.05113	0.7
241.08727	2.3
243.06590	0.5
245.08176	0.4
269.08243	3.3
271.06146	12.5
283.06168	3.2
285.07846	1.2
313.07230	100.0
314.07471	1.8
325.07318	2.1
343.08276	24.9
355.08368	1.4
415.10443	1.6
433.11508	20.2
433.20313	2.4
434.12170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67734	0.8
59.01380	12.5
61.98828	1.4
62.12376	0.8
63.02404	5.0
65.00331	8.0
71.01386	3.9
81.03455	1.1
83.01405	7.1
83.05045	3.7
85.02951	0.8
89.02424	1.2
89.84909	0.8
93.03444	10.8
101.02414	1.7
107.01394	21.8
108.02203	4.4
119.05016	39.0
121.02891	0.8
136.01620	4.5
151.00366	58.3
164.01149	6.1
165.01889	1.7
167.97272	0.8
169.01410	3.5
177.01930	10.5
196.00177	1.2
197.11809	1.0
224.17711	1.1
225.16089	3.3
271.06134	100.0
272.06662	2.1
333.23013	1.4
352.22357	1.9
373.15179	2.1
397.24588	12.7
433.11420	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	431.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98835	2.1
76.57322	0.5
78.95901	3.3
98.36194	0.4
105.46579	0.5
117.03475	3.3
119.05002	2.7
145.02956	9.8
151.88521	0.5
152.99570	5.0
163.04005	2.7
197.43692	0.5
225.22171	2.5
253.21748	6.5
271.22818	65.2
272.23190	1.1
313.23901	43.7
314.24390	0.8
337.22061	0.7
347.34464	0.5
353.52182	0.5
431.24466	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94611	0.1
59.01383	0.6
59.28695	0.1
61.98824	0.7
63.02395	3.9
63.02691	0.2
65.00325	8.1
71.01390	0.2
72.99332	0.1
73.49107	0.1
81.03482	0.2
83.01379	5.7
93.03452	10.4
97.02969	0.3
107.01392	20.4
108.02206	0.8
108.99313	0.3
109.02946	0.3
117.03482	0.3
119.05022	66.6
120.05389	0.3
121.02964	1.2
125.02458	1.9
131.01384	0.8
135.00903	0.2
136.01689	1.4
137.02440	0.8
143.04996	0.7
144.15775	0.2
145.02979	1.0
149.02452	0.8
150.03220	0.3
151.00381	60.0
152.00751	0.2
161.06087	0.7
162.03258	0.4
163.00368	0.7
164.01112	1.1
165.01927	2.9
165.05608	0.6
169.01425	2.6
175.00404	2.2
177.01955	7.4
177.03513	0.3
177.05606	0.2
183.04529	0.2
185.06102	1.0
187.04012	0.9
191.03589	0.2
193.01392	1.3
205.01447	0.2
209.11792	0.3
223.02515	0.4
227.07211	1.2
229.05063	0.2
251.31468	0.2
253.05093	0.3
269.04346	0.2
270.04459	0.4
271.06149	100.0
272.06461	1.3
283.06015	0.2
295.06024	0.6
313.07236	2.4
325.07138	0.3
331.29086	0.2
343.08261	4.1
343.12140	0.2
361.07190	0.2
415.10352	0.2
426.52020	0.2
433.11362	1.7
458.01724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97916	0.7
59.01384	100.0
61.43996	1.0
61.98846	1.9
71.01378	1.5
83.05036	2.3
87.76076	1.0
92.10038	1.0
93.03454	1.8
97.06602	6.3
102.70979	0.9
125.06080	5.1
127.07652	2.5
135.08168	5.4
137.02438	1.4
137.09737	1.8
139.07632	5.1
153.09224	2.3
155.10907	1.1
157.08684	3.7
163.11317	1.2
169.08685	1.7
181.08743	14.5
209.11955	2.3
210.09048	1.9
217.16006	4.5
235.17110	1.8
251.07091	1.6
261.15054	11.6
267.06668	5.1
270.23035	1.0
279.16016	32.6
282.09091	1.3
284.12827	7.4
297.17035	10.8
341.10190	4.7
353.10287	4.5
353.19864	1.6
386.60535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
57.57366	0.3
59.01385	100.0
61.98833	1.5
68.37001	0.4
71.01382	6.2
73.02951	0.5
82.38770	0.4
83.01413	0.5
85.02946	3.1
89.02435	5.7
101.02452	3.6
107.34059	0.4
113.02435	3.4
119.03487	1.6
138.55354	0.4
158.62361	0.4
161.04518	3.1
171.83307	0.4
179.05603	0.7
191.14418	2.2
209.15392	0.5
308.68484	0.5
341.23413	2.0
353.23456	1.5
431.22751	0.7
458.30554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36813	0.2
59.01385	100.0
61.82037	0.2
62.75124	0.2
64.34797	0.2
67.68240	0.2
69.79282	0.2
73.04488	0.2
82.23689	0.3
116.92886	1.7
117.03488	0.3
119.05006	0.5
130.87323	0.2
145.02943	1.3
151.04495	0.3
225.22263	2.8
253.21719	6.3
269.21103	0.3
271.22815	70.5
272.23096	0.6
312.08420	0.3
313.23892	50.2
314.24240	0.9
349.15732	0.3
406.91650	0.3
412.61606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
57.34195	0.2
57.52567	0.2
59.01386	100.0
59.67048	0.2
68.51627	0.2
71.01380	5.1
72.99358	0.3
73.02938	1.4
77.23252	0.3
83.01373	0.4
85.02958	2.3
89.02421	1.8
99.00890	0.4
101.02456	2.0
113.02454	1.8
119.03490	0.4
127.38725	0.2
146.03682	0.3
151.04057	0.4
159.02995	0.2
161.04565	3.2
179.05563	0.4
268.03879	0.5
268.54089	0.3
283.06113	0.3
341.06616	1.0
359.26172	0.3
371.20544	0.3
431.22879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01383	100.0
60.89516	0.2
62.24517	0.2
71.01383	4.9
73.02933	0.7
81.67065	0.3
82.95421	0.5
83.01426	0.3
85.02940	2.0
89.02460	1.6
92.10188	0.6
96.32282	0.3
99.00892	0.3
101.02458	2.2
111.80601	0.3
113.02434	1.8
116.98011	0.3
119.03506	0.5
126.90311	0.4
154.77281	0.3
161.04546	2.9
179.05597	0.7
257.34491	0.3
334.79770	0.3
371.20798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.29690	0.2
78.95906	66.2
81.38155	0.2
96.96962	8.2
106.83054	0.2
119.04989	0.3
143.76796	0.2
144.18044	0.3
145.02969	1.4
145.71326	0.2
150.98018	2.4
152.99590	100.0
158.22951	0.2
171.00642	3.5
277.21811	0.3
327.39923	0.3
372.15424	0.3
431.21985	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	431.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30065	0.3
68.73063	0.3
71.07970	0.3
74.16402	0.3
78.95899	83.0
83.95081	0.3
96.96952	8.9
106.79414	0.3
114.62409	0.3
150.98050	2.3
152.99594	100.0
171.00690	3.1
277.21854	0.8
330.75809	0.3
405.55658	0.4
431.22037	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47933	0.8
54.82566	0.9
57.03452	1.1
58.00603	1.8
59.01384	100.0
59.31562	0.8
65.70058	0.9
65.80381	0.8
69.03454	1.1
71.01385	26.1
72.99327	3.9
73.02943	36.2
81.03467	0.9
83.01390	0.9
84.44071	0.8
85.02968	13.4
86.00093	1.5
87.00867	12.1
87.04525	4.3
89.02448	20.6
101.02441	42.6
103.04008	14.9
113.02470	1.9
115.04014	8.5
119.02793	1.2
119.03499	9.4
125.02441	1.5
127.04050	1.0
131.03511	10.3
143.03508	10.0
145.05092	5.6
163.06139	50.9
163.07541	1.6
165.79567	1.0
167.34200	0.9
195.17598	0.9
205.07182	12.3
230.16809	0.9
265.09375	5.3
284.04242	0.8
431.15268	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	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22809	1.5
55.01881	1.8
57.03453	1.7
59.01379	36.7
71.01379	19.4
73.02959	3.1
83.01382	6.4
85.02943	11.6
87.00874	86.2
89.02437	3.3
89.26776	1.7
100.82538	1.7
101.02433	18.5
102.36761	1.8
105.44543	1.5
113.02437	2.7
166.06346	22.6
167.07172	2.6
181.08702	21.2
209.11905	2.9
227.18315	1.9
300.41949	1.8
343.13925	15.1
352.80371	1.8
431.15604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75203	0.8
57.03463	5.9
59.01382	50.3
61.98832	5.7
67.28529	0.8
71.01376	29.3
71.01727	1.7
72.99319	1.1
73.02943	1.2
75.00877	1.5
77.40703	0.9
81.09886	1.0
81.39822	0.9
83.01384	2.1
85.02940	10.3
87.00870	1.7
89.02438	21.6
90.15681	0.9
95.01402	1.4
99.00872	8.3
101.02444	11.0
110.86766	1.1
112.68150	0.9
113.02463	5.9
119.03474	5.9
122.35378	1.3
122.36276	0.9
125.02439	1.2
129.01935	28.5
159.02988	2.4
177.04007	5.4
191.10782	14.0
193.12354	41.8
209.08133	1.5
209.11778	1.7
269.04535	2.2
270.50830	1.1
349.72507	1.1
353.21951	1.0
358.29221	1.2
371.17145	100.0
398.76990	1.3
402.93414	1.2
414.17972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42395	0.7
53.79176	0.6
55.01881	0.9
58.40142	0.6
59.01382	60.3
61.30798	0.7
61.98827	0.8
66.30370	0.7
71.01373	8.7
83.01418	1.2
85.02939	3.1
87.00858	1.8
88.98786	1.0
89.02431	4.8
101.02448	4.6
108.02174	4.9
113.02437	1.8
119.03480	1.7
119.05042	6.6
119.46273	0.9
121.02959	1.2
123.04527	7.9
124.01646	3.0
125.02504	1.3
130.02538	0.8
134.03745	3.8
135.04520	19.9
136.05307	17.5
149.02481	1.1
149.06032	0.9
150.03195	1.4
151.03976	5.4
151.07661	11.1
180.04478	0.9
181.81343	0.8
185.71223	0.8
195.06638	95.5
235.88875	0.8
251.09258	0.8
269.10303	4.8
302.77942	0.8
385.75723	0.9
431.15601	100.0
432.15948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.6
57.03470	2.1
58.00595	2.1
59.01383	100.0
60.99341	3.3
61.98860	3.0
71.01380	46.5
72.56722	2.2
73.02963	16.0
81.12868	2.3
83.01402	4.7
85.02960	30.3
86.34022	2.6
87.00891	15.6
88.98801	28.8
89.02441	40.7
92.10185	3.0
93.03452	2.7
95.01405	2.6
96.96030	5.2
99.04549	2.5
101.02435	45.7
113.02465	15.6
119.03530	11.9
121.02895	3.3
122.03748	14.1
127.04039	2.9
129.10278	2.6
149.06076	3.4
161.06158	10.6
163.06131	8.8
173.04579	5.1
173.73557	2.7
174.07045	2.8
180.07954	13.1
182.05850	21.9
191.05637	99.1
191.07341	3.9
192.07936	28.8
193.08728	4.4
195.10268	12.5
197.08217	42.5
205.07321	2.6
206.05945	2.8
207.10300	17.2
210.09068	2.3
221.08287	3.7
225.11356	8.4
233.08186	3.6
236.06970	10.7
236.68056	2.7
251.09230	10.3
265.95593	2.7
267.18265	3.4
369.15631	40.5
383.13467	5.5
387.16690	25.5
401.14691	16.2
413.14597	9.0
431.15695	42.5
431.20898	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.4
57.95675	3.1
59.01383	100.0
60.83944	2.9
61.98837	3.7
71.01395	43.4
73.02953	8.6
76.58698	3.3
83.01410	7.7
85.02965	19.3
87.00885	8.9
88.98808	8.6
89.02454	25.6
96.96008	5.2
101.02448	38.5
105.01944	4.3
106.60264	3.9
113.02455	18.9
115.17925	3.7
116.92846	14.6
118.98178	3.3
119.03461	3.7
121.03039	5.3
135.04501	8.0
135.63148	3.4
140.67366	3.4
148.05310	5.7
149.02394	35.1
161.06050	6.7
164.04781	46.9
174.05513	4.1
174.06853	4.5
179.07158	15.5
180.07886	26.6
191.29982	3.4
192.07925	36.7
193.08722	5.7
195.10291	25.1
207.10323	37.8
208.03764	8.9
213.80147	3.9
223.06206	54.5
225.11227	7.9
282.83359	3.6
308.31158	4.7
357.15643	4.9
369.15558	68.4
387.16571	41.8
388.17133	4.6
396.98337	3.8
401.14542	23.9
413.14404	8.8
431.15524	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0989
Annotation	Isovitexin
Peak:m/z	Relative Intensity
52.45105	0.4
59.01390	1.1
70.09581	0.5
71.01374	0.7
77.03957	5.0
79.01920	2.6
88.15105	0.4
89.03991	0.6
93.03498	3.0
105.03516	1.1
117.03468	19.1
119.05017	1.2
121.02994	3.9
133.02972	0.6
135.04518	3.4
137.02385	0.7
149.02458	1.9
159.04532	4.1
161.02451	8.2
163.00330	1.1
163.04024	3.8
165.01926	3.8
169.06592	0.5
175.00398	1.0
175.03967	0.8
175.29987	0.5
177.01924	0.9
182.03781	0.9
183.04550	2.6
183.08197	0.9
191.03615	1.7
195.04539	0.6
195.08299	0.6
197.06111	2.5
201.05582	0.5
209.05968	0.5
211.07648	2.0
215.07173	0.6
223.03999	0.5
224.04843	1.1
225.05548	0.8
229.88344	0.5
237.05516	0.6
239.07201	4.1
240.04420	0.5
253.05080	2.1
254.05864	1.2
268.03867	4.0
269.04617	9.8
279.06558	0.6
281.04581	13.9
282.05341	8.7
283.06155	77.9
284.06631	0.7
293.04648	3.6
295.06125	8.4
309.04102	1.1
311.05667	100.0
312.05969	0.9
314.04300	3.0
323.05609	12.4
341.06726	30.1
353.06699	1.1
355.08383	0.5
413.08865	2.8
431.09906	48.8
432.10416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16335	0.4
55.39349	0.4
58.04838	0.3
58.05201	0.4
60.99007	0.7
60.99305	15.4
69.65602	0.4
80.70020	0.4
88.98797	100.0
89.02432	2.0
130.93123	0.4
241.88213	0.4
312.60999	0.5
337.06671	0.4
338.82263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40285	0.3
57.12423	0.3
59.01387	1.7
68.86221	0.3
71.01377	1.7
73.02941	0.5
81.08852	0.3
89.02477	0.3
92.66060	0.4
93.03451	98.9
99.00900	0.4
101.02428	0.5
113.02377	0.3
137.02441	100.0
138.02791	0.6
172.88568	0.3
203.80626	0.4
215.89790	0.4
216.58568	0.4
299.07727	1.7
431.12012	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37280	0.4
59.01383	100.0
61.58091	0.4
71.01383	10.2
73.02982	0.7
81.75526	0.6
85.02985	3.8
89.02445	12.2
95.01403	0.7
101.02430	5.0
112.94186	0.5
113.02456	4.1
119.03492	5.1
133.27322	0.6
137.09721	3.6
145.97540	0.6
147.04510	0.6
161.04622	1.3
161.06023	0.7
178.47621	0.6
179.05649	2.8
179.28043	0.6
190.06335	1.2
219.41846	0.5
220.07458	2.4
249.11343	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	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
59.01385	100.0
60.50205	0.5
61.22046	0.5
71.01387	11.5
85.02969	1.3
86.39320	0.5
89.02439	13.7
92.10805	1.2
101.02428	5.8
107.50506	0.5
113.02474	3.5
119.03534	3.3
137.09738	3.3
161.04651	0.9
161.06009	0.6
164.83214	0.5
179.05672	3.5
220.07433	3.1
249.11433	3.2
429.22055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38044	1.3
57.03484	1.7
59.01384	79.2
61.98859	2.5
62.26353	1.7
62.82967	1.4
71.01382	2.4
88.98836	2.1
89.02470	2.8
89.95908	1.3
92.10800	4.0
93.03488	15.4
101.02460	3.4
117.03466	59.5
119.03446	1.6
127.05550	15.3
135.04539	3.5
155.04973	3.4
157.06644	11.3
159.04491	25.7
161.02478	4.0
165.12946	2.0
180.05838	3.6
181.06601	70.0
181.12366	1.7
183.04562	12.5
191.14470	2.2
191.54762	1.9
193.06586	2.9
201.05571	2.9
203.03459	3.7
207.04535	3.9
223.07756	1.8
225.03409	3.2
225.05608	81.6
227.03511	7.6
249.05632	15.8
251.03502	15.5
267.06598	18.2
269.04587	100.0
293.04593	32.7
295.02478	8.7
306.76651	2.0
311.05679	27.5
337.03564	10.6
371.21265	2.5
387.08786	52.0
409.25482	1.7
431.07809	70.2
431.22937	1.9
445.75967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0987
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.12857	0.2
59.01378	0.3
59.25807	0.2
60.95658	0.2
62.76634	0.2
62.95820	0.2
63.02417	1.5
63.61265	0.2
65.00362	0.4
83.01402	1.3
88.98828	0.3
92.64944	0.2
94.60269	0.2
107.01408	2.8
117.03432	3.1
121.02995	0.2
148.01672	0.4
149.02419	1.8
149.99626	0.3
151.00400	5.0
159.04575	0.4
169.01440	0.5
171.04591	0.4
172.05342	1.4
183.04434	0.4
184.05287	0.6
195.04402	0.5
196.05341	1.0
199.04041	0.3
200.04874	0.4
201.05595	0.3
205.04030	0.3
211.04068	2.3
212.04836	1.3
225.05534	0.4
226.04570	0.3
239.03517	3.8
240.04300	6.8
241.78220	0.2
267.03088	2.3
268.03802	100.0
269.04556	21.7
293.04547	0.3
311.05588	0.5
350.07199	1.3
350.57526	0.5
431.09885	51.6
432.10242	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Dendroside F
Peak:m/z	Relative Intensity
51.71220	0.3
55.01881	0.8
55.13824	0.3
57.03450	0.5
58.00613	0.5
59.01388	100.0
62.43428	0.3
71.01385	13.5
72.57629	0.3
72.99341	0.4
73.02956	2.2
75.68864	0.3
83.01400	1.6
85.02948	5.7
87.00900	0.4
89.02441	12.7
90.12852	0.3
95.01379	0.6
99.00896	0.6
101.02434	7.4
113.02448	5.5
119.03487	5.1
131.03520	0.3
137.09734	3.8
143.03485	0.6
159.02966	0.5
161.04520	2.4
163.64809	0.3
164.07246	0.4
179.05606	4.2
179.50555	0.3
192.76367	0.3
221.81020	0.4
298.23068	0.4
367.21072	0.4
411.20151	1.8
429.21344	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	429.2133
Annotation	Dendroside F
Peak:m/z	Relative Intensity
50.14351	0.5
55.01881	0.8
57.03467	1.3
58.00590	1.0
59.01382	74.2
71.01376	35.8
72.99309	1.0
73.02934	1.1
83.01392	1.4
85.02941	8.0
85.28609	0.6
87.00871	1.0
87.94246	0.6
89.02439	23.4
92.10098	0.7
93.03437	0.6
95.01376	1.1
96.22817	0.6
99.85891	0.6
101.02444	14.3
113.02439	7.9
117.03572	0.7
118.18610	0.7
119.03511	5.4
137.04398	0.7
145.10268	1.4
161.04610	1.1
172.65579	0.6
219.13896	23.0
221.15506	15.0
249.14970	10.1
251.16577	7.8
256.01587	0.8
268.03748	4.1
399.20102	4.9
429.21353	100.0
430.21582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Dendroside F
Peak:m/z	Relative Intensity
53.41808	1.2
57.03457	1.9
59.01383	100.0
61.98846	1.8
63.09115	1.3
71.01375	24.4
80.38266	1.3
83.01385	1.8
85.02972	7.6
87.89246	1.3
89.02447	15.9
91.71270	1.3
95.01358	2.1
95.42836	1.6
97.06597	1.8
101.02415	12.7
113.02483	6.3
119.03513	3.3
129.83119	1.3
161.04585	1.8
192.11511	1.9
207.13947	14.2
219.13940	18.6
249.14970	18.6
429.21323	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45275	3.3
56.99035	3.2
59.01382	31.7
61.98842	4.3
63.82993	3.9
71.01381	7.6
81.95814	3.9
85.02974	4.9
87.29760	4.0
89.02455	16.6
92.65858	3.6
96.96036	21.7
116.92879	18.2
118.51588	4.4
122.03744	9.9
161.06116	18.1
172.05307	15.6
189.05600	76.8
190.06374	100.0
204.04321	9.5
205.08707	77.5
219.06596	4.3
223.09741	4.9
231.06660	4.9
233.39290	4.9
249.07690	26.7
429.91516	4.6
444.93842	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	429.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98835	5.2
71.01382	42.5
72.99329	4.7
85.02974	7.5
87.00874	6.5
89.02454	31.1
101.02458	20.4
113.02454	7.0
119.03502	11.8
121.02998	3.0
124.01643	3.8
136.01665	30.7
151.04030	37.7
160.05324	5.9
161.06059	5.9
172.05307	13.4
175.07640	4.2
189.05585	54.8
190.06366	89.5
204.04301	72.8
205.08737	86.9
219.06662	35.8
249.07744	59.3
267.08856	6.3
273.35791	3.0
323.51721	3.2
429.13962	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
58.00604	1.7
59.01386	100.0
59.38021	0.8
60.29847	0.9
61.77251	1.1
69.03465	1.5
69.59517	1.0
71.01379	37.2
72.99326	4.3
73.02943	41.4
75.00887	1.6
83.01402	4.7
85.02956	18.0
85.82159	1.2
87.00878	16.7
87.04536	4.5
89.02444	24.4
101.02442	35.1
102.95319	1.2
103.04003	17.4
113.02460	4.6
115.04025	7.8
119.03526	8.7
125.02454	2.5
127.04017	1.3
131.03531	11.7
139.09987	1.0
143.03514	13.3
145.05066	5.6
163.06148	29.1
193.45985	1.0
194.98776	1.2
205.07201	20.5
397.76218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53390	0.3
59.01398	0.3
76.57297	0.2
99.00880	0.4
99.92582	5.4
100.93357	7.6
115.92077	100.0
116.92103	1.0
116.92852	6.5
132.92345	1.0
142.94406	0.3
172.95502	3.1
187.16905	0.3
221.08215	4.6
222.08974	0.6
255.23315	1.3
335.58432	0.2
335.73486	0.3
355.15826	0.5
371.15131	0.3
381.17267	0.3
405.16940	0.3
429.19513	4.1
429.26398	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	42.1
61.98839	24.8
63.71348	15.9
75.04365	26.6
82.95416	32.7
85.69582	23.6
116.92915	25.1
117.38349	18.5
189.05627	21.0
254.57893	22.3
271.48724	20.8
336.79926	22.3
427.27383	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	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	63.5
61.98837	24.7
64.34423	8.7
70.55313	8.8
71.34549	8.1
82.95419	24.0
99.00867	11.1
116.92904	38.6
121.12598	10.0
221.15469	100.0
280.11035	11.3
292.72055	9.4
296.85620	12.7
427.27383	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	428.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35883	0.2
59.01389	1.4
61.01845	0.2
61.98837	100.0
71.01398	0.4
75.33756	0.2
77.12001	0.2
96.96014	0.5
99.92590	2.4
110.01926	0.3
116.92846	0.9
118.89962	1.4
134.89421	0.5
135.90211	0.4
140.95909	0.2
150.49988	0.3
175.00487	0.3
197.24313	0.2
290.75516	0.2
293.21365	0.3
294.21582	1.2
305.04962	0.3
311.22241	1.2
312.22668	3.2
387.19141	0.3
392.13074	0.5
447.22516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99469	0.1
56.27176	0.1
59.01381	1.2
61.98833	100.0
78.99081	0.1
86.20380	0.2
156.92213	0.2
173.94470	0.2
235.49815	0.2
400.75262	0.2
436.56766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.6
84.95132	1.6
93.03460	10.5
117.03466	31.8
125.04035	0.8
135.04524	1.6
159.04517	14.8
161.02470	1.7
169.06613	1.4
180.05864	3.8
197.06085	5.4
199.07668	10.4
201.05637	3.5
203.03542	3.0
223.07658	48.8
225.05605	9.7
235.07620	1.0
247.07518	1.0
249.03296	0.8
249.05594	5.8
252.04343	0.9
265.08698	1.1
267.06653	100.0
291.06677	21.9
293.04608	7.0
309.07718	22.5
335.05707	9.7
343.09525	1.5
429.09836	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01678	0.6
55.09771	0.5
56.22203	0.5
59.01386	3.2
71.01386	2.6
97.09055	0.6
108.14210	0.6
121.02953	2.5
133.02948	2.8
134.03740	80.3
135.04137	0.6
137.02444	11.1
139.04053	4.3
149.06094	24.1
150.03242	1.0
178.02725	50.3
193.05081	100.0
219.78806	0.7
429.13824	2.0
443.14648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	1.8
57.09478	0.9
58.00618	0.9
59.01385	95.7
61.98834	1.3
70.30197	0.8
70.74195	0.9
70.74667	1.0
71.01381	41.7
72.99329	4.5
80.92012	1.0
83.01419	5.1
85.02943	10.0
87.00879	1.2
89.02441	35.2
93.03464	1.2
95.01386	2.2
96.96037	1.1
99.39474	1.0
101.02431	23.2
104.49371	1.0
113.02430	11.8
113.47292	1.0
119.03514	14.4
121.02973	4.7
122.03735	2.2
131.13954	1.0
134.03664	1.3
135.04529	13.6
136.01649	4.4
151.04001	5.3
159.04555	1.4
160.05296	4.9
161.06104	4.4
163.03900	3.1
164.51924	0.9
171.54527	1.1
172.05287	3.8
175.03934	1.1
175.07553	1.0
177.32973	1.1
179.05612	3.6
183.50935	0.9
187.07680	2.0
189.05559	20.3
190.06366	29.6
197.08109	1.1
203.03502	1.2
204.04297	100.0
205.08711	34.6
209.04637	1.0
219.06651	45.6
230.94414	1.0
234.05443	1.2
249.07704	55.7
267.08765	5.2
377.26920	1.1
429.13974	14.0
440.10849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55790	0.3
54.82966	0.3
55.50851	0.3
55.98876	0.3
56.39967	0.2
59.01382	100.0
59.46145	0.3
62.90803	0.3
65.56358	0.3
92.48629	0.3
92.92808	0.6
109.30839	0.3
113.09734	0.5
122.29520	0.3
125.90866	0.3
129.98273	0.3
293.21274	7.5
370.45178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.8
61.98840	1.6
71.01380	29.7
72.99299	13.0
76.41506	1.1
92.10777	2.2
102.29085	1.0
110.41600	1.2
115.00359	20.3
116.92851	4.4
133.01469	7.9
151.45692	1.1
195.13887	9.6
264.32639	1.2
293.21310	8.0
311.22321	100.0
354.73315	1.3
372.92224	1.3
409.22443	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2107
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
51.78626	7.8
53.95541	11.0
59.01378	100.0
61.18048	9.2
61.98828	11.2
76.87132	9.1
82.37067	12.4
84.95133	12.3
92.10123	11.2
102.91972	9.7
118.20292	10.1
221.02664	11.9
299.46545	10.7
329.13940	18.6
377.53442	10.8
389.54001	11.9
427.20654	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.2
67.62951	0.9
71.01379	21.0
72.99310	6.7
73.79166	1.0
76.25023	1.1
82.95439	1.2
85.87236	1.1
87.00867	1.4
90.04565	1.1
92.92802	1.8
97.13486	0.9
115.00372	2.5
116.92874	1.1
141.09216	1.5
153.11734	1.1
153.12843	4.0
169.12299	1.7
181.12323	9.1
219.87791	1.1
271.66266	1.3
293.21268	7.8
309.21011	1.3
311.22308	100.0
360.29807	1.3
369.85522	1.2
371.59937	1.2
388.59714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.4
61.98838	2.2
69.04125	1.1
71.01388	29.8
72.99313	11.5
87.00920	1.3
103.52982	1.3
115.00380	19.8
116.92847	2.3
121.02966	2.7
133.01466	8.8
141.00948	1.3
147.93784	1.6
167.14439	2.2
183.13866	1.4
195.13963	9.9
199.46019	1.1
293.21201	10.5
311.22330	100.0
409.22415	2.8
427.23328	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	427.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03455	3.0
59.01384	43.8
66.84776	2.0
68.04864	2.4
71.01388	51.7
72.99325	3.7
73.02953	26.5
78.95907	10.4
83.01411	2.6
83.02409	2.1
84.53347	2.1
85.02966	20.7
87.00881	11.0
89.02451	20.2
95.01379	3.3
96.96013	89.6
96.96951	4.3
99.00879	64.0
101.02460	23.7
101.51810	2.3
113.02470	22.2
122.03750	4.8
127.60075	2.4
131.03456	3.4
145.05095	3.1
147.02966	5.2
161.04539	20.1
191.05611	5.5
235.08221	11.5
367.12448	5.1
427.14679	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	427.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98826	1.3
55.87803	1.3
57.03459	2.1
58.00588	1.7
59.01385	100.0
61.98862	2.1
71.01378	42.4
72.99316	3.3
81.48698	1.3
83.01409	2.5
85.02969	8.9
88.59380	1.3
89.02438	40.2
101.02441	15.3
113.02440	14.8
119.03493	13.4
134.03714	2.5
143.03491	1.7
160.01617	3.8
161.04587	1.9
162.86130	1.6
175.04088	2.5
179.05672	2.2
183.11810	1.8
185.13383	11.0
194.99374	1.8
203.14439	8.8
209.11821	2.2
229.14508	2.9
359.24356	3.7
389.25577	14.2
397.18912	2.7
427.19809	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	425.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26475	0.2
58.27172	0.2
59.01383	100.0
69.81661	0.2
74.06172	0.2
91.28094	0.2
125.38428	0.2
127.46983	0.2
127.65263	0.2
137.64291	0.2
146.76123	0.2
165.12827	0.3
186.13220	0.2
216.14587	0.2
219.79327	0.2
247.20782	0.3
291.19699	3.4
370.66040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59785	0.2
59.01385	100.0
68.99523	0.3
70.32941	0.2
71.01385	1.1
76.73783	0.2
92.92821	0.4
118.41032	0.2
126.10087	0.2
133.70166	0.3
136.74948	0.2
137.99896	0.2
165.12999	0.3
181.12158	0.2
283.99210	0.3
291.19675	5.0
309.20761	2.7
335.37338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40606	1.3
59.01384	24.1
59.35038	1.2
60.00611	1.3
60.99308	20.7
65.02438	1.4
71.01381	5.4
72.99303	100.0
75.00520	1.2
75.00856	11.9
78.95913	6.7
88.98812	1.7
89.02438	43.4
96.96013	9.0
96.96960	2.0
101.02424	5.4
105.01984	1.8
111.00877	1.4
115.00374	8.3
117.01926	9.5
133.01430	77.2
145.01431	10.1
145.31488	1.6
203.02032	1.5
221.03021	19.0
227.79985	1.5
261.87674	1.8
427.14838	1.8
443.31259	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22161	3.1
51.96698	3.3
52.17478	3.5
53.60506	3.5
55.36427	3.7
59.01385	5.5
61.98832	7.8
62.20432	4.5
82.95426	30.7
84.52838	3.8
91.84442	3.7
96.96011	17.2
98.95607	7.8
99.92578	50.7
115.92081	91.7
116.92860	100.0
309.20743	5.0
356.54068	5.0
391.12311	45.1
427.14359	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	425.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82550	2.0
55.53515	1.8
59.01383	23.3
61.98829	2.5
68.99609	2.1
71.01368	21.6
72.99311	8.3
90.69091	1.9
92.10732	2.2
92.92802	3.2
99.85394	2.0
115.00363	3.4
117.92596	2.0
120.73904	1.8
121.98106	2.0
153.12872	3.1
153.61861	2.2
159.65520	1.8
179.14418	2.3
197.11844	2.9
245.76349	2.1
288.12100	2.1
291.19800	27.6
309.20749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.4
61.98832	1.4
70.64362	1.2
71.01378	41.2
72.99300	11.3
83.59140	1.4
93.14153	1.5
96.99338	1.6
103.36974	1.2
115.00356	18.1
133.01419	7.8
160.15848	1.8
181.12299	2.7
211.13400	1.9
236.06757	1.4
247.20654	3.3
291.19620	26.3
309.20773	100.0
390.73151	1.8
430.42151	1.5
432.87064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1956
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
50.31338	9.1
50.56263	10.3
55.50737	10.2
56.01238	9.4
59.01390	28.4
61.98845	20.6
71.01409	15.1
92.10131	12.4
101.02420	18.2
183.40932	13.2
210.80862	12.7
214.07256	17.4
389.18243	100.0
425.19299	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1954
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
57.03467	9.7
59.01391	27.1
61.98835	100.0
61.99123	5.6
71.01400	8.0
75.09534	3.4
78.95889	5.8
81.03447	4.5
82.95408	4.8
91.58029	4.0
97.36191	3.9
97.76873	3.5
101.55032	4.6
113.21184	4.0
137.02159	3.7
145.02960	4.1
145.67162	4.0
149.09750	6.3
152.99535	5.8
201.12823	4.8
219.13924	73.0
287.12735	4.2
314.11441	13.0
400.26532	4.1
425.19556	37.3
435.65991	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	425.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07576	1.6
59.01400	9.3
61.98827	1.9
63.28574	1.5
67.66953	1.5
68.05070	1.4
71.01379	35.0
72.99320	9.4
75.98833	1.5
76.01355	1.5
79.57520	1.5
84.88416	1.6
89.41251	1.4
92.10204	2.4
96.96018	8.3
115.00375	7.8
133.01410	1.5
134.71642	1.6
163.11232	3.6
165.12871	9.0
181.12311	1.8
223.13408	2.2
247.20726	3.0
263.16620	6.8
291.19681	66.2
291.22925	2.7
309.20758	100.0
334.13092	1.7
407.20737	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	425.1576
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
51.95664	7.3
57.03458	32.8
59.01382	100.0
61.98830	17.9
63.99259	6.6
68.01021	6.5
69.00074	7.8
71.01389	32.8
78.95908	13.4
88.15958	7.2
89.02441	31.6
95.01402	9.4
96.96016	44.8
99.04569	10.7
101.02437	33.9
113.02449	13.2
120.46116	6.9
246.95120	7.1
281.12405	12.4
326.86957	9.7
365.18259	14.2
410.36099	8.8
425.16101	38.5
442.83310	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	425.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32900	1.5
57.03452	100.0
59.01381	75.7
61.98842	6.3
71.01379	2.8
76.14668	1.7
81.03452	39.8
83.05031	4.3
84.95618	1.8
87.00877	8.8
92.92125	1.7
99.04500	26.8
100.18867	1.8
101.02437	24.0
111.04508	2.2
121.06566	2.7
123.08131	15.2
130.06888	1.9
130.08118	1.8
131.42596	1.9
139.07660	3.8
142.63954	1.9
145.10287	2.6
162.73953	1.8
169.08730	7.4
169.10158	2.5
171.11763	29.3
189.12877	14.9
201.12866	11.7
207.13835	2.1
237.14993	30.0
238.23984	2.1
279.16058	7.5
281.13959	40.6
323.15073	26.2
363.18188	16.2
425.18231	85.5
426.18515	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	425.1953
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
51.78837	5.9
58.80783	7.1
59.01393	44.6
61.98837	16.1
71.01383	14.4
73.02958	10.3
80.46542	9.6
85.02971	8.0
89.02442	12.5
99.46836	7.5
101.02466	13.3
119.61589	7.7
127.96845	9.3
132.44078	10.1
148.05724	9.6
180.88579	8.6
221.79301	8.9
354.27094	8.7
365.18463	13.1
389.18182	40.6
425.19473	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	423.3274
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
54.38292	0.3
63.12012	0.3
80.90257	0.3
82.43976	0.4
137.74237	0.3
184.96753	0.4
189.12750	0.4
190.69762	0.5
198.61925	0.4
205.16003	100.0
206.16333	0.5
423.32742	44.4
424.33167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98872	0.1
53.22760	0.1
53.99725	0.2
55.83058	0.1
59.01372	0.2
61.98833	100.0
63.49651	0.1
66.04800	0.2
83.29994	0.2
94.67113	0.2
121.05896	0.2
134.82938	0.2
148.09354	0.2
187.05681	0.2
287.78909	0.2
334.91422	0.2
349.15497	0.2
384.44382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15562	0.6
59.01398	1.0
61.98837	100.0
63.90129	0.6
110.32471	0.7
110.76679	0.7
146.43294	0.7
272.89606	0.7
288.90765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.2
61.98834	100.0
82.59465	0.3
96.96002	4.9
96.96957	0.4
167.29552	0.3
247.88136	0.3
268.72366	0.4
317.69971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96341	1.8
59.01383	100.0
60.60656	1.4
61.21822	1.6
72.35132	1.4
114.70709	1.6
114.94393	1.8
133.31174	1.7
138.93700	2.0
150.94359	1.8
157.03494	4.2
180.94775	1.8
201.02577	97.2
256.82559	1.9
275.85513	2.0
280.94958	3.6
282.94992	3.1
285.38953	1.8
298.69568	1.8
331.41794	1.8
343.03848	24.5
363.49670	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20733	7.6
54.96674	7.1
57.03447	65.1
59.01390	100.0
61.98826	21.5
70.34041	9.6
71.01378	17.0
79.78606	7.7
89.02486	16.2
89.03045	8.9
90.24459	10.6
93.41686	8.8
101.02455	20.7
125.02492	10.9
144.56863	9.1
250.77473	9.9
256.53134	9.7
279.14630	19.9
423.17639	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49973	7.7
57.03460	14.8
59.01386	100.0
62.96249	6.7
70.40100	7.4
71.01395	14.2
75.46703	8.5
75.92515	7.4
89.02450	14.7
100.17768	7.4
101.02440	15.7
113.02446	8.8
136.12396	7.5
214.18605	8.6
221.24330	8.0
226.30016	9.1
232.27908	7.9
236.01563	8.3
239.93694	9.3
387.16650	76.9
423.17609	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56161	9.7
53.58436	9.3
57.03463	29.8
57.67024	11.0
59.01384	100.0
59.70184	10.6
63.45566	10.3
71.01401	20.8
89.02431	17.2
96.89478	12.2
229.41090	14.8
278.60284	15.2
324.95801	17.3
423.17993	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89311	7.5
52.67077	8.4
52.86490	9.7
53.46831	10.3
53.77435	10.1
55.01645	9.7
55.01943	10.0
57.03459	18.4
59.01386	100.0
61.98833	81.1
63.50810	9.7
71.01395	24.1
82.32394	10.5
85.02949	13.6
88.98818	15.0
92.10164	23.9
92.65005	9.9
96.96016	56.9
99.04512	14.4
101.02443	19.6
156.16104	13.9
161.04564	13.9
173.12370	11.8
195.29161	13.3
235.81731	12.9
363.16498	14.3
387.16888	85.1
423.18323	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
54.15804	4.4
59.01387	52.5
61.98836	6.8
63.92650	4.7
71.01414	7.4
75.21946	4.7
76.57899	5.4
89.02429	7.2
101.57461	5.3
113.02493	7.6
137.87576	5.0
185.17836	5.4
232.08957	5.9
234.24194	5.3
423.18002	100.0
443.38815	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	423.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36610	0.1
50.58107	0.1
53.81687	0.1
58.02982	0.2
59.01385	3.5
62.90656	0.1
70.60601	0.2
71.01382	1.0
73.02988	0.2
74.02463	0.9
78.02838	0.2
78.95903	7.4
79.95731	1.7
85.02949	0.7
86.02481	0.2
87.00898	0.2
87.97686	0.1
89.02455	0.7
96.96008	100.0
96.96915	11.8
99.05646	0.7
101.02432	1.0
107.81824	0.2
113.92599	0.2
119.05031	2.4
128.03535	1.3
129.03876	0.2
143.04639	2.8
144.04973	0.3
147.21956	0.2
149.02449	0.3
160.00723	0.9
163.03961	1.1
164.04749	0.2
170.59790	0.2
200.99670	1.7
208.03719	0.3
210.08928	0.4
223.06171	1.4
261.00754	0.4
272.09158	0.2
288.06461	0.2
306.07681	2.3
307.07806	1.5
319.14200	0.3
337.14990	2.1
363.16544	0.4
379.16119	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	423.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44114	1.7
57.17473	1.6
59.01380	35.7
60.01730	2.0
61.98831	39.5
66.51214	1.6
71.01404	8.3
71.25442	2.4
75.74127	1.9
79.95750	8.3
85.02985	2.7
85.49993	2.1
89.02417	3.8
96.96008	13.7
101.02436	3.6
101.56300	2.2
113.02480	2.8
119.05017	100.0
128.56429	1.9
135.04533	16.6
163.04012	34.0
181.05075	11.1
199.00694	18.6
212.29431	2.3
215.00264	14.2
243.42027	2.3
261.00760	4.1
423.06061	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98833	100.0
66.71136	0.1
69.46281	0.2
71.39031	0.1
81.65157	0.2
92.10214	0.2
120.04397	0.1
137.30936	0.2
147.38174	0.1
204.68445	0.2
246.28943	0.2
248.11021	0.2
343.88287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
60.76261	0.3
61.98839	100.0
64.35128	0.3
76.28854	0.2
78.51215	0.3
80.95843	0.3
85.12708	0.3
86.83354	0.3
98.04520	0.3
101.00291	0.3
102.54240	0.3
165.99608	0.3
268.01266	0.3
414.89719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20256	0.3
59.01381	0.7
61.98834	100.0
133.31693	0.5
181.40799	0.4
261.17661	0.4
293.12863	0.5
310.04376	1.0
355.72467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98503	0.2
59.01379	0.5
61.98841	100.0
62.28336	0.2
64.34109	0.2
75.00504	0.2
75.00936	0.2
81.14110	0.2
90.19419	0.2
91.63596	0.2
92.59658	0.2
104.20112	0.2
120.01144	0.2
132.11223	0.2
137.43002	0.3
139.13388	0.2
145.17119	0.2
159.38405	0.2
332.14847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16693	0.2
57.32656	0.2
59.78276	0.2
61.86501	0.2
61.98833	100.0
62.12756	0.2
62.80782	0.2
83.92119	0.2
87.34936	0.2
88.42780	0.2
92.10746	0.3
115.93414	0.2
122.74101	0.2
132.82852	0.2
196.39990	0.2
207.59657	0.2
225.11945	0.2
271.08728	0.3
285.22336	0.2
293.86801	0.2
313.09946	0.3
314.10156	0.4
316.12097	0.4
317.12408	0.5
330.14294	0.4
331.14551	0.3
332.14804	1.4
344.14990	0.9
357.79968	0.2
388.43726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60722	0.9
52.43774	0.9
57.06422	0.9
58.02979	14.5
58.11009	0.9
65.69492	1.1
66.20348	1.1
70.03006	1.1
72.00931	1.4
72.07712	1.1
74.02472	22.2
77.72650	0.9
79.22087	1.0
82.02984	1.8
84.04597	1.2
85.04099	1.1
86.02477	8.4
86.99092	1.3
87.05634	6.7
90.00185	1.5
97.04072	2.1
99.05631	25.6
101.07150	2.2
102.05603	4.4
106.19076	1.1
109.04084	1.8
113.03526	1.5
116.01843	1.1
116.60497	1.1
121.02992	5.1
123.05573	1.5
124.04041	1.4
125.03508	1.7
127.05090	4.1
128.02570	2.0
128.03532	56.7
131.04611	2.0
135.05637	5.2
141.06721	7.0
143.04623	85.7
145.06157	4.7
146.04575	6.8
153.06686	4.9
160.00734	17.9
166.09874	4.6
167.04636	6.7
167.08266	2.2
177.03391	4.5
179.04585	14.2
181.06213	2.0
192.07756	1.4
197.05612	2.0
198.08794	1.3
210.08864	15.3
242.07938	1.2
254.07840	12.4
272.08878	22.2
288.06564	7.4
306.07678	100.0
404.14880	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	421.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54378	80.7
76.51272	71.1
85.59595	76.5
89.67799	78.3
92.66344	86.4
158.80345	100.0
223.37219	82.9
291.04977	98.1
330.71625	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98836	100.0
71.01373	0.7
96.95992	2.0
99.05679	0.6
103.28374	0.5
105.56165	0.4
119.05000	0.5
128.03500	1.1
139.30525	0.5
143.04616	2.6
308.07379	2.5
408.63858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62447	0.2
57.69812	0.2
58.80984	0.2
59.01379	1.3
60.19558	0.2
61.98838	100.0
62.13288	0.2
62.17825	0.2
88.95393	0.3
96.95975	0.4
102.98528	0.3
111.04667	0.2
138.08311	0.2
160.62711	0.3
166.72675	0.3
207.35643	0.3
217.36264	0.3
354.60144	0.3
354.65176	0.2
362.36307	0.3
372.22559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49770	0.2
58.47132	0.2
59.01383	1.5
61.98833	100.0
71.01390	0.4
87.75906	0.2
96.95994	0.3
99.21575	0.2
104.28081	0.3
191.45978	0.3
198.08585	0.3
219.92960	0.3
227.92934	0.3
362.14481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51521	0.2
55.98013	0.2
57.33646	0.2
59.01398	1.4
61.98841	100.0
68.41634	0.2
71.01352	0.2
79.14851	0.2
92.66109	0.2
102.88005	0.2
102.98585	0.3
222.32025	0.3
267.36328	0.2
442.10220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98835	100.0
63.88428	0.3
71.01385	0.3
91.59839	0.3
92.10136	0.4
100.59910	0.2
101.02467	0.3
109.89006	0.3
116.92851	0.3
138.53995	0.2
160.66818	0.2
306.67807	0.2
362.14178	0.5
385.41913	0.3
416.04099	0.2
437.56494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.4
61.98832	34.9
63.25006	15.7
67.67402	19.6
78.05282	19.1
81.54312	21.9
88.98830	100.0
131.43677	16.0
159.71982	19.9
160.11974	21.7
219.10103	38.5
221.25850	21.3
233.11731	27.7
244.79634	22.2
245.88449	20.2
374.89435	24.2
396.60147	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	421.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46428	10.5
56.42267	10.7
56.60824	10.9
57.36016	10.5
59.01387	25.1
61.98850	16.2
64.34511	12.0
64.42918	10.8
68.96527	10.3
69.77620	9.7
75.70017	12.9
77.11521	10.8
84.77222	10.9
86.87141	11.1
87.12572	11.4
92.28646	11.2
96.96024	14.8
121.02966	100.0
122.03282	12.8
128.99452	13.6
169.39804	10.7
190.94682	12.1
233.15524	68.8
403.24988	61.8
421.27969	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	421.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98848	99.9
68.99576	37.5
84.11422	21.5
86.55849	23.4
137.29996	32.0
153.11386	28.5
155.73460	24.6
162.38701	25.8
162.82156	23.9
185.57748	33.8
224.57870	24.9
285.07190	29.7
356.40814	32.8
403.82651	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2597
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
56.86157	0.7
57.03463	1.3
59.01384	6.9
61.98828	8.0
69.03455	1.2
80.02648	0.9
81.03481	1.1
83.05028	10.0
85.06584	3.7
94.46503	0.9
97.06605	2.2
109.06582	2.0
111.08168	2.3
115.72983	1.0
115.87938	1.0
123.08216	1.7
125.09698	11.3
159.11723	1.1
171.10274	26.0
171.11688	1.9
185.11786	0.9
187.14970	4.3
189.16672	1.0
205.15965	6.4
209.11940	2.1
211.13376	4.5
215.14540	1.2
221.15558	4.2
231.14003	2.3
233.15472	37.0
237.96791	1.0
249.14972	9.9
257.17572	1.3
295.19138	0.9
341.24854	2.0
367.22668	1.3
377.26978	1.1
385.23889	5.0
393.26682	1.5
403.24945	49.3
403.30292	1.8
404.56952	1.2
421.26028	100.0
422.26331	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	421.2601
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.64112	7.6
59.01376	71.8
61.98832	8.5
95.05070	8.2
98.04344	7.3
112.98562	11.2
125.09185	7.9
131.40834	7.9
148.93248	8.5
156.80032	9.4
207.13963	16.1
235.13393	54.9
251.01186	8.7
291.51935	9.2
359.26126	8.7
385.23837	19.4
403.25363	57.7
403.29712	7.7
421.25961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56102	0.3
54.14664	0.2
59.01383	100.0
61.98841	1.7
64.41649	0.3
72.99298	0.5
77.89188	0.3
89.49004	0.3
91.03992	2.4
94.18171	0.3
94.33362	0.3
96.21545	0.3
103.84895	0.4
154.56644	0.3
162.72722	0.3
213.09891	0.3
215.99739	0.3
232.95108	0.3
266.12982	0.3
287.22296	19.5
297.13907	0.3
412.82288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98839	5.3
64.35143	0.7
70.82055	0.8
78.81376	0.7
83.18421	0.8
85.27161	0.9
85.27673	1.0
97.63454	0.9
111.94811	0.9
118.06068	0.8
134.27977	0.9
135.04279	1.1
148.52707	0.8
287.22339	17.2
393.14716	0.8
421.09128	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82974	0.4
58.47890	0.3
59.01374	0.4
61.98819	0.4
78.01693	0.3
78.95901	61.2
92.10036	0.7
95.40721	0.4
96.96953	8.2
150.98006	2.2
152.99591	100.0
171.00613	3.3
261.61707	0.3
267.23450	1.4
421.23642	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.7
61.29842	13.7
71.65434	13.7
73.41922	12.9
88.98806	100.0
89.39473	12.6
97.02956	30.6
135.64154	14.3
261.11249	19.2
262.11880	57.2
331.18939	32.4
388.20007	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	100.0
61.47606	37.9
61.98842	83.9
62.33613	38.2
71.00584	46.6
154.83350	45.5
163.38449	37.1
166.05933	43.7
169.23706	35.3
184.43759	43.8
191.76935	45.5
234.55722	41.4
323.18637	40.9
327.25922	42.7
445.22095	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
73.27334	0.2
80.91691	1.3
141.71594	0.3
147.08151	0.2
148.32996	0.2
153.90123	0.3
163.11292	100.0
164.07224	0.2
164.11592	0.4
185.68925	0.2
249.09042	0.2
339.23315	48.6
340.23685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1872
Annotation	isoadenolin L
Peak:m/z	Relative Intensity
50.53545	0.2
50.68574	0.2
54.82766	0.2
57.84854	0.2
59.01391	8.6
61.98822	0.4
64.31262	0.2
73.19200	0.2
83.07002	0.2
93.03473	2.6
102.29160	0.2
108.02183	0.5
109.02967	8.7
119.05024	0.9
121.02951	32.4
122.03737	26.1
123.04527	3.6
124.01658	1.4
129.03436	1.4
134.03734	1.3
135.04524	2.8
136.05298	2.1
137.02441	3.3
143.05125	0.3
146.03755	1.3
147.03363	0.4
147.04532	12.1
148.05362	1.7
149.06082	2.1
150.03189	0.2
153.01799	0.3
154.02740	2.2
159.04514	0.3
160.05318	0.4
161.06070	5.9
162.06841	0.5
164.04781	0.5
165.05571	42.1
168.04216	0.4
173.06087	0.4
175.07582	0.5
177.05511	0.3
178.06364	1.6
179.07146	14.3
191.07170	1.2
193.08733	0.4
194.11020	0.2
208.07545	0.4
209.08223	1.6
223.09903	1.8
298.12048	1.8
301.10748	0.3
313.14529	1.3
315.12445	4.9
316.13187	1.0
317.14233	0.3
331.15485	0.2
343.15466	0.4
345.13718	0.3
346.14230	12.8
361.16617	100.0
362.16989	1.8
373.19720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.69470	1.2
61.98839	3.2
63.13058	1.2
93.07095	11.7
112.31005	1.4
116.92840	2.6
118.58179	1.4
136.33057	1.3
145.08910	1.5
148.05324	1.6
161.04779	2.1
181.15944	7.8
211.17148	2.5
218.26848	1.4
229.18082	29.7
297.44525	1.6
329.13873	1.9
348.07477	1.6
359.28094	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08323	0.2
56.21025	0.2
56.59352	0.3
59.01387	14.6
61.45289	0.2
61.98836	100.0
64.33679	0.2
78.95910	0.6
92.10228	0.5
99.40532	0.2
119.26062	0.2
126.55376	0.3
127.68802	0.3
152.99550	0.4
253.21725	1.3
271.22787	9.0
313.23883	14.3
386.64185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.5
60.01729	4.5
61.01816	4.9
61.77843	0.9
61.98830	100.0
68.91850	0.8
70.44939	0.9
90.26160	0.9
98.14367	1.0
103.12518	1.0
135.61050	0.9
197.65813	1.0
216.94392	1.1
311.73804	1.0
353.42807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.9633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05278	0.3
55.67104	0.3
59.01384	1.8
77.95434	0.4
78.95895	5.5
79.00393	0.3
89.28957	0.4
92.06848	0.3
93.39807	0.3
111.01981	0.8
134.96065	1.8
134.97070	1.8
136.31471	0.5
136.94006	78.5
136.96753	2.6
137.94052	0.6
176.98148	0.4
178.95062	47.5
179.95021	0.4
190.97208	1.6
192.95126	3.9
194.93053	8.8
196.96144	0.7
198.88789	0.5
198.90553	11.5
200.92146	2.1
216.91588	0.9
218.93105	0.6
234.96201	15.1
236.94128	51.9
237.94289	1.9
239.90636	0.4
240.91611	19.0
245.96046	0.3
248.37320	0.4
248.58934	0.4
248.87036	1.5
252.91666	0.4
256.93436	0.3
258.92664	6.7
270.92557	0.9
276.98370	0.5
278.95187	100.0
279.95245	2.5
288.93762	1.6
300.93741	2.4
342.94690	1.6
360.95792	3.4
378.96310	0.7
420.96655	2.4
421.89615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.164
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
53.23706	3.5
58.38845	3.7
59.01391	7.0
77.17960	4.3
131.02602	4.7
150.03284	8.8
209.04561	10.2
213.99130	4.1
219.79358	4.0
265.76361	4.8
421.16376	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	419.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39917	0.8
53.42578	0.8
57.03463	2.3
59.01381	100.0
61.98838	1.6
63.36625	0.8
80.34800	0.8
93.07104	4.0
121.02962	1.3
123.04505	0.9
135.84915	0.9
138.02638	0.9
144.91377	1.0
181.15834	1.5
209.11801	9.2
209.15625	1.3
226.43602	1.0
229.18102	21.1
252.66452	1.0
269.08081	1.1
283.09705	1.2
311.09085	1.0
314.11847	1.2
326.12231	1.0
329.13919	2.2
341.13901	1.3
359.15182	1.7
359.28036	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	421.1639
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
52.56643	4.6
59.01382	63.2
61.98830	13.0
63.93895	5.3
66.24799	4.7
71.01385	12.7
75.00874	10.7
77.13087	4.7
82.95386	4.8
89.02448	5.9
91.81988	5.3
101.02444	9.2
104.81069	5.5
125.09641	6.0
135.03038	11.3
144.64462	5.6
149.02463	38.7
150.03249	55.0
165.05591	8.2
194.02242	7.0
197.11842	54.4
209.04623	36.7
421.16238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1639
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
53.63156	1.8
59.01374	14.8
61.98843	9.9
72.37402	1.9
77.92572	1.7
85.02962	3.1
91.16356	2.1
92.10895	2.5
123.00825	2.7
124.01704	3.4
141.28317	2.0
154.77061	2.4
177.05472	3.1
228.09258	2.1
421.16412	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	419.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21322	0.2
54.50056	0.2
59.01385	100.0
59.70016	0.2
59.93518	0.2
60.22764	0.2
61.98825	0.5
65.00320	0.5
78.42437	0.3
83.01389	0.2
86.27633	0.3
91.04012	1.5
92.10081	0.5
94.83072	0.2
97.16592	0.3
107.01411	0.3
123.04520	0.3
125.02447	0.5
145.66650	0.3
151.00403	1.1
164.40768	0.3
167.03490	0.5
172.57564	0.3
182.04440	0.3
187.07663	1.2
224.40396	0.3
243.03020	0.6
262.23941	0.2
285.20749	9.9
383.11356	0.3
419.08081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61580	0.3
59.01382	100.0
60.99302	1.6
61.42686	0.2
61.98835	2.0
69.17545	0.3
88.98798	9.7
91.03996	1.7
91.71796	0.4
107.78617	0.3
149.02440	0.3
163.63618	0.4
165.05588	0.4
285.20721	8.7
309.36023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.7
59.01382	100.0
61.98831	42.9
62.32925	0.6
63.43743	0.6
73.26093	0.6
77.70696	0.6
85.76152	0.8
87.22389	0.8
93.03469	0.9
93.07088	5.1
109.02934	2.7
121.02114	1.2
121.02952	12.6
123.04536	1.0
147.04491	1.4
165.05580	10.5
169.15948	2.9
179.07137	1.5
197.15471	1.4
199.17023	7.0
229.18106	38.8
279.17493	0.7
344.12653	4.2
359.14993	15.6
359.28140	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	419.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69270	0.5
54.82396	0.5
59.01389	100.0
61.98845	0.6
70.97240	0.6
87.00934	0.6
88.77494	0.6
88.94984	0.6
117.41254	0.6
122.45261	0.6
199.34021	0.6
230.33955	0.6
285.24344	1.3
321.36517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96260	52.6
57.47725	48.1
61.59752	62.7
63.06462	58.8
97.94882	58.2
114.47302	65.6
116.49635	61.6
117.62752	56.9
123.56884	70.1
131.58247	66.7
140.59598	73.4
190.34435	68.2
273.23599	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	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02352	38.4
58.88241	42.1
59.01387	94.2
60.43070	39.4
61.98835	100.0
91.77491	45.4
91.83195	44.4
109.63818	45.6
115.77443	39.9
145.48804	39.1
416.88983	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28590	21.7
55.21415	20.4
59.01384	100.0
61.98838	49.9
62.85942	22.7
73.13072	25.4
74.89936	21.9
121.02964	25.8
143.39229	24.7
152.84869	23.3
285.03922	25.9
358.27704	23.6
358.90143	23.6
383.11493	35.0
387.89923	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2441
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
54.37449	1.0
54.82473	1.0
57.22548	1.2
59.01382	14.4
61.98838	6.0
63.80989	0.9
65.03989	6.6
66.41676	1.0
69.03470	1.3
91.05550	6.6
97.06622	1.9
100.76205	1.1
105.07111	1.5
109.06599	1.5
115.05555	1.3
123.08159	2.7
125.09740	14.0
179.88617	1.2
185.09726	2.8
185.11646	1.3
187.14937	24.3
210.01253	1.3
213.12852	5.0
217.23520	1.3
229.53493	1.5
231.13914	36.1
249.14989	8.8
278.57495	1.3
357.24243	2.1
383.22284	5.5
391.25006	1.6
401.23358	100.0
419.24390	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	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27942	32.4
52.47166	35.0
59.01394	87.2
59.35313	45.9
60.48910	35.8
64.34537	51.6
69.00020	39.9
72.99323	100.0
81.71122	40.1
108.46616	47.3
108.75839	48.3
110.16959	50.7
144.05888	52.3
150.57928	50.6
191.63054	49.3
281.36078	45.7
332.04871	43.3
347.45972	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70722	13.1
51.15040	13.1
52.57009	12.5
53.11061	14.5
59.01390	100.0
61.98835	43.8
67.03848	15.1
72.99334	38.9
73.49570	18.7
78.32238	19.5
92.10771	20.0
105.55744	16.2
166.29662	20.9
365.34467	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	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88083	1.0
54.82809	1.2
54.86613	1.1
55.01895	6.7
57.03469	1.3
59.01386	59.1
63.44717	1.0
66.76087	1.0
67.38322	1.1
68.78154	0.9
71.01384	33.8
72.58173	1.1
73.02937	10.6
81.06718	1.1
82.73029	1.1
83.01416	6.5
85.02951	15.5
87.00887	5.3
88.32655	1.2
89.02433	11.9
92.65672	1.3
95.01391	4.8
99.00903	2.3
101.02438	27.6
113.02441	12.2
115.19764	1.2
119.03497	2.8
121.02986	2.0
122.03744	17.4
122.52769	1.3
123.04535	4.7
131.03560	1.9
136.01625	1.9
137.02443	1.3
137.06076	1.7
139.92960	1.2
159.03014	1.6
161.04602	2.5
163.04057	1.5
164.04767	2.6
167.13165	1.2
171.11708	1.2
179.07265	2.5
182.05870	43.1
182.07462	2.1
196.95172	1.2
197.08214	85.1
217.87798	1.3
359.13538	100.0
395.24762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54504	0.6
59.01389	95.9
61.98816	0.8
67.40736	0.5
93.03463	7.4
93.07105	2.7
109.02943	11.6
119.05033	0.7
121.02946	91.9
122.03754	9.4
123.04532	2.4
124.01756	0.6
129.03464	1.0
135.04539	1.4
137.02455	0.6
147.04514	14.8
149.06024	0.7
153.26553	0.6
154.02728	0.7
155.14404	1.1
161.06026	1.3
165.05574	61.2
178.06252	0.8
179.07135	15.8
185.15431	4.2
185.98833	0.6
199.17104	0.9
221.08104	2.3
229.18088	20.3
282.47308	0.6
283.09674	0.8
313.10852	6.8
344.12692	29.1
359.15051	100.0
359.27951	13.5
360.15433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82986	0.8
58.85958	0.9
59.01384	100.0
61.98837	5.5
69.79249	0.8
74.46120	0.9
77.34006	0.7
77.38980	0.7
88.98818	0.8
105.25266	0.7
121.02935	1.0
145.49654	0.7
149.02461	3.6
150.03224	1.7
165.05534	1.2
191.01788	1.4
195.06563	1.8
210.91830	1.0
251.77505	0.8
264.21249	0.8
285.20703	4.1
311.13016	1.4
330.21854	0.8
373.12823	1.9
419.08008	1.3
443.92581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82742	0.9
58.00592	1.8
59.01382	77.7
71.01379	32.4
71.94038	1.2
72.99328	1.4
73.02961	1.1
78.38828	1.0
83.01413	1.5
85.02514	1.1
85.02964	7.2
87.00881	8.8
89.02442	39.8
95.01396	2.0
101.02441	15.7
113.02441	14.0
119.03502	13.4
121.02970	5.7
143.03545	1.6
146.03738	19.8
161.04578	4.7
161.06105	7.7
163.04004	37.1
164.04797	75.9
178.06339	10.5
179.05652	6.5
179.07132	100.0
182.05870	1.1
191.67154	1.1
197.08231	1.5
208.12843	1.3
217.67126	1.3
261.61728	1.2
301.98709	1.1
304.41486	1.1
320.73196	1.1
334.75687	1.2
341.12418	9.6
359.13614	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	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32692	1.0
55.01877	1.3
58.00601	1.5
58.01826	0.9
59.01386	100.0
71.01382	43.5
72.99335	1.3
73.02941	2.3
83.01382	2.5
85.02952	11.6
89.02438	48.7
95.01398	2.2
101.02427	24.4
112.71514	1.1
113.02450	15.1
119.03467	13.7
122.03738	6.2
143.03456	1.8
145.03009	1.2
146.03735	22.0
161.04565	4.0
161.06056	6.7
164.04811	12.9
179.05594	8.5
179.07137	33.8
182.05873	11.0
197.08208	23.3
324.52545	1.1
359.13553	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	419.148
Annotation	Lespedezol C1
Peak:m/z	Relative Intensity
50.49797	6.1
51.16769	6.7
52.74586	6.3
54.31946	7.0
57.63166	7.3
58.65363	6.8
59.01389	77.4
61.98847	40.1
71.01376	14.0
87.00895	15.4
92.10796	20.5
101.02437	9.8
115.00385	12.5
121.02998	10.4
160.74866	9.5
171.18219	9.0
175.02515	11.5
177.05611	9.5
179.03441	8.7
183.25340	9.1
205.05121	9.0
241.07266	11.4
259.34647	10.7
291.05191	34.3
419.14883	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	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36797	0.4
56.72968	0.4
59.01384	100.0
71.01385	1.0
76.27020	0.5
80.14002	0.4
85.02943	0.6
88.92904	0.5
101.02425	0.6
113.02497	0.6
121.02985	1.1
122.03735	10.3
136.01700	0.8
137.02454	0.7
143.04594	0.8
154.02629	0.8
161.04538	0.9
174.26688	0.6
182.05847	29.6
197.08209	53.2
262.37808	0.6
314.18484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1564
Annotation	Lamioside
Peak:m/z	Relative Intensity
55.01884	5.2
57.03448	2.1
58.00598	1.3
59.01385	57.0
66.80574	0.8
69.49466	0.8
71.01382	31.4
72.99298	0.9
73.02946	11.5
79.21193	0.8
82.24325	0.7
83.01393	5.8
85.02958	16.9
85.80069	0.8
87.00867	1.4
89.02451	12.1
95.01373	2.1
99.00882	3.4
101.02442	26.4
113.02454	13.2
119.03500	4.6
121.02998	1.1
122.03728	19.4
123.04546	4.5
131.03502	1.1
136.01614	1.0
137.06075	1.5
161.04576	4.5
163.03970	1.9
164.04732	2.0
179.07085	6.4
182.05853	39.5
184.30861	0.8
188.46777	1.0
197.08211	79.9
287.67352	1.0
288.62393	0.9
359.13541	100.0
360.13553	1.0
430.78683	0.8
431.72903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28743	0.1
52.29855	0.1
57.87882	0.2
59.01390	0.6
61.95986	0.1
61.98838	100.0
63.23633	0.1
72.90100	0.2
110.84724	0.2
116.00550	0.2
123.08096	0.1
130.14688	0.2
132.43393	0.2
167.18839	0.1
183.96498	0.1
241.67422	0.2
406.37805	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0777
Annotation	8'-Hydroxy-3-methoxy isodiospyrin
Peak:m/z	Relative Intensity
57.57487	0.4
59.01380	4.5
61.98837	2.8
76.63467	0.5
94.04429	0.6
97.06577	0.6
101.03974	7.8
129.03464	3.6
131.04977	4.6
134.03665	0.8
140.83287	0.6
149.06087	0.6
154.04181	0.8
155.05029	35.3
157.02953	6.5
158.03665	3.7
160.01691	0.9
171.04558	0.9
173.06096	8.2
175.03989	5.5
199.04031	47.7
201.01944	5.1
217.05104	2.7
217.70071	0.5
243.03004	100.0
243.87167	0.6
261.95404	0.7
267.03049	1.0
345.81543	0.5
359.15494	0.8
375.08752	0.8
419.07816	57.7
420.08313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0779
Annotation	8'-Hydroxy-3-methoxy isodiospyrin
Peak:m/z	Relative Intensity
52.50903	1.2
52.99679	1.3
57.03453	2.8
59.01379	21.4
65.10181	1.4
71.01380	1.7
72.99331	2.0
75.00872	13.6
85.42143	1.4
87.00914	1.8
93.03442	8.8
117.03465	25.0
121.02971	1.9
129.01959	7.7
129.03444	1.7
135.02977	10.8
135.04538	2.3
140.09370	1.5
140.29959	1.3
146.03749	23.0
155.05063	5.9
159.04504	9.4
161.02428	2.4
161.06070	6.8
164.04784	15.6
169.06618	2.3
175.02493	2.8
179.07141	35.2
183.04503	3.0
189.05528	2.9
199.04036	6.7
201.59067	1.4
203.03465	2.3
213.05589	30.5
215.03516	6.9
227.03564	10.9
239.03561	2.8
257.04562	100.0
269.08151	7.1
273.20715	7.5
281.04575	18.7
283.02420	3.1
283.09793	1.8
299.05624	27.4
299.09308	6.0
311.09232	3.6
314.11777	8.6
325.03473	8.6
329.13916	18.7
341.14032	7.1
419.07797	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98831	100.0
82.33287	0.2
88.98786	0.3
329.35541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82278	0.5
58.23748	0.5
59.01386	1.1
61.98835	100.0
62.16890	0.4
64.60017	0.5
82.32529	0.6
108.85077	0.5
128.03580	0.6
182.79855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70422	0.2
53.20916	0.2
59.01389	0.8
60.98455	0.2
61.98834	100.0
68.40617	0.2
92.10736	0.4
122.06834	0.2
159.04524	0.2
166.04436	0.2
167.67911	0.2
176.30234	0.2
190.58160	0.2
210.66414	0.2
213.03738	0.2
238.16887	0.2
341.81244	0.2
357.86652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.79848	0.4
63.24193	0.4
114.80518	0.4
131.62859	0.5
158.66635	0.6
236.14674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
92.10738	0.5
97.70938	0.3
142.75497	0.3
224.82178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50269	0.3
53.85138	0.3
57.03467	0.5
59.01388	100.0
60.99311	0.3
61.98537	0.4
61.98840	7.6
71.01383	4.6
72.15692	0.3
72.99294	0.3
73.02966	1.0
82.95453	0.4
85.02972	2.4
87.07688	0.4
88.98827	0.8
89.02470	0.5
92.10189	1.4
101.02449	2.5
113.02457	2.1
121.02927	3.5
139.07635	0.5
146.80344	0.4
161.04585	3.9
169.19273	0.4
180.07924	22.6
195.10280	15.2
285.56726	0.4
297.08554	0.4
384.97449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98854	35.0
62.69806	15.3
64.75869	17.1
65.74850	18.9
73.91050	19.8
76.44883	20.4
99.25885	18.2
100.79539	19.3
149.86285	25.1
177.90590	18.1
255.39066	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	417.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	100.0
61.98868	23.3
70.55591	18.3
73.02410	19.7
88.17205	20.9
92.10139	25.1
209.99197	20.8
263.33914	27.0
325.97580	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	417.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	61.7
59.72281	11.4
77.11398	13.3
78.95924	59.1
82.95426	17.2
88.23279	13.9
119.05014	25.9
123.69815	13.4
145.02931	84.0
152.99553	100.0
196.94670	13.4
269.78128	14.6
294.68011	18.5
417.22760	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	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99885	1.7
58.03426	1.5
59.01375	7.2
60.99306	18.4
61.03596	2.0
61.98826	19.1
78.11851	1.9
83.01388	7.6
84.00318	1.7
88.98801	100.0
134.65558	1.9
141.09872	1.9
145.88843	1.9
169.59024	2.3
171.64720	1.9
211.13417	2.6
229.23911	2.3
283.06546	2.5
309.37689	2.0
329.23862	2.1
337.13220	1.9
357.13541	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	417.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.26853	0.4
60.01719	0.7
61.98837	8.6
88.98821	0.7
91.03980	0.5
97.06589	2.9
99.04456	0.5
110.14352	0.4
118.81375	0.5
122.07190	0.5
135.08130	0.8
152.48167	0.5
167.10757	3.0
197.33784	0.6
221.19098	0.8
247.17020	0.7
265.18112	21.1
283.19196	11.8
305.49161	0.5
330.26947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15928	0.8
59.01380	13.1
60.48025	0.8
65.28468	0.8
79.48210	0.8
80.02630	0.9
86.62366	1.2
89.54717	1.0
91.04020	5.0
102.60856	0.9
117.13300	0.9
167.34097	0.8
179.67351	0.9
223.35312	1.0
225.22327	4.7
269.21341	1.2
271.22824	100.0
272.23425	1.0
283.19278	8.0
428.87665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2651
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
51.54539	0.1
53.82245	0.1
59.01384	0.2
68.59921	0.1
72.44547	0.1
80.96642	0.1
96.24456	0.1
110.92606	0.1
117.03469	25.0
119.05024	11.6
121.02956	2.0
123.04531	0.3
133.02969	0.3
134.03749	0.2
135.17526	0.1
145.02962	100.0
146.03326	0.7
163.04016	5.0
217.61292	0.1
225.22243	0.7
228.75037	0.1
271.22818	10.8
272.23029	0.2
289.05338	0.2
330.99496	0.1
331.26373	0.9
399.25342	1.0
415.85907	0.2
417.26517	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	417.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75151	0.2
55.38766	0.1
58.21392	0.2
110.28951	0.2
112.40968	0.2
117.03458	24.6
119.05015	9.8
121.02953	1.5
133.02980	0.3
142.39694	0.2
144.93053	0.2
145.02956	100.0
146.03305	0.4
163.04025	5.7
225.22252	1.2
271.22794	10.6
331.26547	0.3
399.25623	1.4
417.26514	22.3
418.26883	0.3
422.18384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48712	1.0
59.01382	1.3
67.63313	1.1
72.98946	1.0
72.99294	8.3
73.72864	1.1
76.36001	1.0
77.91210	1.1
84.94743	0.9
85.29771	1.0
88.90455	1.0
97.06606	5.8
117.09834	1.2
120.41197	1.2
125.06072	46.0
133.75946	1.1
143.07144	56.8
165.12828	22.9
195.45050	1.1
239.42758	1.4
247.20609	10.6
273.18585	5.9
291.19684	100.0
292.19888	1.5
299.20343	1.3
417.26566	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16194	3.1
57.03455	4.5
59.01398	22.8
60.31157	3.7
61.98837	15.0
63.47010	3.1
71.01392	19.9
72.99321	6.4
75.00883	5.6
83.01406	3.5
96.87762	3.7
99.00877	17.7
108.02180	5.4
111.00913	5.3
112.98808	32.4
115.00405	5.9
121.02924	7.5
136.01663	39.8
142.99870	63.3
151.04010	53.5
162.03197	32.7
173.00916	26.8
174.01700	100.0
175.02585	4.9
177.05582	18.9
187.37592	4.4
192.93910	4.1
193.05092	4.5
193.12300	8.2
211.13419	57.4
223.13457	18.1
247.14711	4.0
263.12820	7.9
267.12341	15.2
307.11911	18.3
349.13071	4.3
357.13449	36.2
367.14078	79.7
420.09430	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.2
57.03463	1.9
59.01383	10.6
60.44032	0.7
61.98822	0.9
70.04099	0.8
71.01378	14.8
72.99310	7.0
73.02956	0.9
74.48383	0.7
75.00864	8.2
79.69098	0.7
83.01401	3.8
83.05036	1.7
87.00882	4.4
89.54481	0.7
91.10523	0.7
92.10194	0.8
99.00872	22.4
100.01659	1.3
101.92665	0.7
107.05022	0.8
108.02180	1.5
109.06579	0.8
111.00882	3.6
112.98801	34.3
113.99594	1.6
114.99684	0.9
115.00363	7.5
117.01904	0.9
121.02934	0.9
124.98786	5.0
135.02977	1.2
136.01591	1.1
140.01164	1.4
142.99864	55.9
156.00641	4.6
156.89111	0.8
163.04034	1.2
164.04829	1.7
165.12794	1.5
173.00909	23.9
174.01703	71.1
175.02513	6.1
177.05536	4.1
179.14343	1.0
183.13890	1.9
193.12340	3.7
195.13805	1.4
205.12308	4.1
207.13884	1.6
211.13435	40.2
217.12170	1.0
219.14027	1.7
221.11861	1.3
223.13409	12.2
225.14925	1.5
234.90878	0.8
235.13313	3.0
237.11185	0.9
237.15018	1.1
245.11662	1.3
251.12740	1.5
263.13120	6.4
267.12421	9.1
279.12299	6.3
281.14029	1.0
285.13455	0.8
287.12845	1.5
289.04239	0.8
293.04492	0.8
293.13858	1.0
305.13892	3.3
307.11887	26.5
325.13013	3.2
337.12888	4.5
349.12967	8.0
367.14029	100.0
373.29401	0.8
385.14896	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	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
56.78037	0.3
57.03460	0.8
58.00595	0.7
59.01385	100.0
64.34354	0.3
68.50544	0.3
71.01382	18.9
72.99309	0.8
73.02950	3.6
73.66264	0.4
76.76500	0.4
78.57021	0.4
83.01408	1.5
85.02943	7.4
87.00860	0.6
89.02438	14.2
90.09183	0.4
95.01398	1.9
99.00877	0.8
101.02441	12.6
109.26021	0.4
113.02454	9.0
119.03505	5.3
125.02418	0.4
131.03531	0.8
133.10226	0.5
143.03494	0.9
161.04558	10.7
173.06187	0.6
177.09189	4.8
179.05614	2.8
195.10315	0.5
219.06599	1.6
290.54855	0.4
357.15625	21.3
417.17697	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	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50928	1.9
56.42035	1.7
57.03462	3.1
59.01389	14.1
63.29672	1.7
70.48618	1.6
71.01373	17.0
72.99303	19.0
73.02922	2.8
75.00858	12.8
83.01428	2.4
83.05061	2.0
87.00900	2.1
91.92007	2.0
99.00872	24.8
99.96489	1.6
111.00854	2.9
112.98809	35.2
115.00372	12.1
121.02963	9.2
124.98794	3.2
129.01888	1.7
140.01164	2.8
142.99857	63.5
143.00870	3.6
155.20926	2.0
156.00648	4.4
158.23613	1.8
164.04787	2.1
173.00919	29.9
174.01689	82.6
175.02469	10.0
177.05534	3.6
183.13867	3.2
193.12354	4.2
195.13919	2.5
205.12373	4.4
207.13933	3.0
209.11945	3.0
209.75313	2.2
211.13429	56.3
221.11783	3.4
223.13419	9.2
245.12035	2.9
245.14745	1.8
251.13104	2.3
263.12784	3.8
267.12436	17.6
279.12527	3.6
298.68381	1.9
305.13687	2.9
307.11871	28.6
337.13159	1.9
339.76572	1.7
347.71008	2.0
349.12915	9.3
355.89285	2.1
367.09442	3.4
367.14026	100.0
368.13760	2.1
385.14890	8.9
404.72983	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	3.3
57.03451	80.4
59.01391	11.4
65.19607	2.7
66.88889	2.4
80.75159	2.7
92.10795	12.8
99.04528	17.4
101.02413	20.0
109.69629	2.8
115.39131	3.1
121.97746	2.9
147.36702	2.5
243.16931	3.3
244.58133	2.9
271.22775	100.0
291.19513	10.9
293.20990	16.5
313.23895	4.1
353.26852	3.5
407.73721	3.5
415.27036	17.5
424.23468	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	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84497	0.7
59.01384	100.0
63.11661	0.6
82.39772	0.6
85.02943	0.7
91.01996	0.8
91.34972	0.7
101.02454	2.6
103.81421	0.7
120.78445	0.6
142.15979	0.6
159.87997	0.8
253.21770	1.0
304.93637	0.8
365.25189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83024	0.2
56.03183	0.2
59.01384	100.0
60.79569	0.3
94.97022	0.2
169.60248	0.3
224.25885	0.3
318.22842	0.3
328.37717	0.3
358.29068	0.2
382.09009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39014	0.4
53.23155	0.4
55.65534	0.4
56.36057	0.4
59.01377	7.4
61.98831	0.5
85.88876	0.4
86.47915	0.4
88.98772	0.7
101.35461	0.4
105.08005	0.5
108.02193	0.8
130.04230	0.6
134.03757	0.9
139.52075	0.5
143.05019	3.3
149.06061	0.8
154.04262	0.9
158.03748	3.2
160.01663	0.7
169.06654	0.6
171.04535	3.7
172.86389	0.5
173.06071	15.6
175.04016	2.3
185.05998	0.5
196.05298	1.1
197.06084	54.3
198.06372	0.9
199.04013	7.6
209.06047	0.5
217.05107	2.0
240.04359	0.9
241.05067	100.0
242.05374	1.1
265.05099	1.8
417.09851	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
88.98820	0.7
94.19924	0.7
95.47337	0.7
97.06609	0.8
99.92580	0.8
106.50010	0.8
111.08174	1.1
122.84923	0.7
169.08659	1.4
263.16534	8.9
281.17511	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44549	0.2
57.03439	0.3
59.01382	100.0
61.98835	2.7
72.35535	0.3
78.57027	0.3
84.95132	1.8
88.98813	1.6
95.05003	0.6
97.02945	0.3
97.06580	3.2
97.07130	0.3
108.78256	0.3
135.08116	1.6
151.11249	0.4
161.75679	0.3
165.09192	3.0
165.12810	0.7
181.08679	0.4
208.89645	0.4
219.17563	3.9
245.15453	2.3
263.16534	23.2
281.17599	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	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36151	0.5
59.01388	57.6
60.99316	19.1
71.73206	0.5
78.26599	0.5
83.38045	0.6
88.98800	100.0
91.04008	0.9
92.03180	0.5
96.47369	0.5
149.86143	0.7
172.29698	0.6
221.70950	0.6
263.16501	2.5
281.17642	3.6
334.07721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86023	0.9
56.30015	0.9
59.01371	1.6
60.19332	1.0
74.99117	7.6
77.00663	67.8
90.07422	1.0
92.10825	2.1
99.65583	1.1
113.48993	1.1
126.50530	1.5
130.83627	1.3
147.08185	2.8
163.11359	2.1
187.11247	4.6
251.04939	1.3
279.23495	2.0
309.22229	6.0
337.21793	100.0
338.22171	1.2
415.23102	13.0
438.30270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60716	0.7
55.01884	10.5
57.03455	5.3
58.00610	1.7
59.01384	74.0
60.03952	0.7
61.23723	0.8
61.98834	5.4
63.94398	0.8
71.01379	45.5
71.01778	1.6
72.99311	3.3
73.02946	13.5
75.00844	1.2
78.95934	0.8
83.01381	17.4
85.02943	25.7
86.00099	4.4
87.00883	4.9
89.02436	12.0
89.30987	0.8
92.66199	0.8
95.01387	2.1
99.00871	6.3
101.02428	42.4
101.03090	1.5
111.00877	3.3
113.02446	12.9
119.03499	1.4
145.41452	0.9
149.06091	5.2
150.06870	3.6
163.07642	5.1
176.08380	1.6
182.05838	2.0
183.29503	0.8
193.08540	1.3
194.09489	72.5
195.10303	7.3
195.38669	0.9
209.11853	62.7
220.07454	1.2
226.38196	1.0
235.09772	5.6
235.74413	0.8
263.85428	0.8
269.21899	0.8
320.42197	0.9
321.11896	1.0
329.14066	1.0
343.62125	1.0
367.27319	0.9
371.17154	46.5
397.15054	34.9
415.16147	100.0
416.16162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83120	1.7
54.97548	1.5
55.01903	2.4
55.72688	1.3
57.03453	3.5
57.84669	1.6
58.00612	2.7
59.01385	100.0
60.99292	2.3
65.15698	1.6
71.01379	58.5
71.01773	2.7
72.99293	6.2
73.02948	23.8
73.24770	1.6
79.67474	1.6
83.01397	8.9
85.02943	23.7
87.00900	7.0
88.98821	9.5
89.02444	61.9
91.11354	1.7
95.01376	2.6
96.96039	1.9
97.02989	3.3
99.00887	4.0
99.92564	2.3
101.02436	32.0
103.04015	3.0
111.00866	7.7
113.02442	19.9
115.03998	2.9
116.92860	48.1
117.01953	8.2
119.03513	8.6
119.24459	1.7
133.05040	8.6
143.03499	3.3
161.04573	9.2
179.05580	8.6
187.70927	2.1
191.05608	9.7
193.07161	7.8
205.03571	2.7
223.04506	14.3
312.08145	1.8
355.12491	98.2
388.48831	1.8
438.05811	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0826
Annotation	Calomelanol D
Peak:m/z	Relative Intensity
51.95449	2.9
56.06068	2.4
57.55870	2.3
59.01131	3.2
59.01367	21.0
60.26040	2.4
66.07156	2.4
73.41747	2.6
76.26520	2.5
80.13039	2.7
82.95458	2.8
93.03477	4.6
97.05500	2.5
97.35735	3.5
114.39810	3.3
117.03451	25.2
117.47609	2.9
154.82440	3.1
159.04504	13.6
180.05739	3.5
185.06064	13.4
193.12280	4.5
209.06102	57.6
211.04045	6.9
235.04016	4.9
253.05069	100.0
277.05127	20.3
279.03064	4.5
295.06158	26.6
321.04007	11.6
415.08270	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.3
59.01382	4.3
65.35837	0.3
69.82820	0.3
71.01398	1.8
71.05018	0.4
80.38616	0.3
85.02962	0.7
87.80979	0.3
88.98817	0.3
92.10173	0.4
106.93885	0.3
115.03981	0.4
121.02951	0.8
133.02980	0.4
134.03743	100.0
135.04082	0.8
137.02423	4.9
137.06075	2.0
139.03993	1.7
147.04451	0.4
149.06093	32.4
150.06404	0.5
161.06006	0.4
163.04050	0.4
174.49010	0.3
178.02718	21.0
184.17827	0.3
193.05075	86.1
198.88109	0.3
217.88356	0.3
304.89957	0.3
355.10306	2.5
371.13580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97529	0.2
53.22940	0.2
53.99616	0.2
59.01383	100.0
71.98795	0.3
76.48814	0.3
153.44275	0.4
206.82600	0.3
281.13779	0.3
284.16968	0.3
384.31668	0.3
407.34311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14469	0.2
59.01384	100.0
86.79724	0.2
92.10151	0.4
104.75572	0.2
108.78530	0.2
111.90971	0.2
131.00723	0.2
134.89397	0.2
135.95256	0.2
225.61996	0.2
271.22845	2.4
295.23013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03456	14.1
59.01385	9.1
60.41898	0.8
65.72064	0.8
67.01905	0.8
71.01379	9.3
72.99316	3.6
73.02941	1.7
75.00866	4.6
80.22516	0.8
83.01387	8.6
84.02167	1.8
85.02944	67.6
87.00877	16.8
99.00881	1.0
101.02431	8.7
103.03999	1.5
104.30571	0.8
111.00883	50.9
125.02412	0.8
129.01936	21.9
143.03517	1.1
146.15056	0.9
147.02971	4.4
161.04564	1.1
187.02475	1.6
191.02010	13.7
191.05554	7.1
205.03537	30.2
223.04607	100.0
280.88443	1.0
334.84320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71686	0.2
51.80161	0.2
54.30363	0.2
59.01383	100.0
68.79186	0.2
71.86429	0.2
80.84879	0.2
83.47115	0.2
152.86320	0.2
175.93079	0.2
302.45453	0.2
368.89084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06694	0.3
55.62093	0.3
59.01391	100.0
62.47660	0.4
97.74242	0.4
144.64653	0.5
349.38248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42472	0.3
54.43494	0.3
58.39651	0.3
59.01386	3.7
61.98839	2.6
71.01394	0.6
73.02932	0.4
78.95901	46.5
96.96957	100.0
101.02457	3.3
113.02460	0.4
116.92853	0.5
123.04525	0.5
125.30855	0.4
154.62151	0.4
168.99014	0.6
196.90390	0.5
248.47684	0.5
273.15460	0.4
315.14636	0.5
388.48029	0.4
413.12131	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	413.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92834	0.8
52.61531	0.6
59.01386	14.0
67.42434	0.7
70.87550	0.8
75.60092	0.8
82.39983	0.7
83.89676	0.7
141.01978	1.0
170.03282	0.9
225.22293	4.8
249.67860	0.8
253.21722	9.8
271.22824	100.0
295.22781	17.7
327.25372	1.0
412.06967	0.9
413.25613	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	411.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23266	0.7
55.01888	1.1
57.03442	1.1
59.01384	100.0
61.98854	4.2
71.01375	28.4
72.99313	1.6
73.02958	5.1
83.01416	3.6
85.02954	9.9
89.02441	25.6
95.01379	1.8
97.02924	1.0
99.00960	1.0
101.02445	20.9
101.98167	1.1
113.02454	12.2
119.03494	9.8
121.02967	1.2
126.85984	1.0
143.03535	1.4
161.04582	6.5
166.24573	1.0
179.05602	4.7
189.14996	9.3
200.85664	1.0
321.17459	1.4
351.20349	69.1
433.42590	1.0
439.74316	0.9
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	Pteroside Q
Peak:m/z	Relative Intensity
59.01385	100.0
61.98841	2.4
71.01384	35.2
85.02954	9.9
89.02443	30.5
101.02464	15.3
112.74075	3.3
113.02470	14.6
113.54603	2.3
119.03527	10.8
124.89347	3.1
126.53399	2.6
149.07767	2.5
159.04549	4.3
173.06128	6.1
187.04021	5.8
187.07605	29.5
201.05600	14.5
202.06389	43.7
214.67581	3.1
231.10263	42.7
251.01956	2.8
411.16678	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47417	5.6
54.73658	5.8
59.01390	36.5
61.98827	52.7
65.60953	6.2
71.01415	8.7
83.71398	6.2
99.80297	6.2
133.59824	6.3
156.68112	7.0
160.84216	6.7
211.13405	100.0
232.17149	7.3
237.61450	7.4
237.99438	6.4
285.17099	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23266	0.7
55.01888	1.1
57.03442	1.1
59.01384	100.0
61.98854	4.2
71.01375	28.4
72.99313	1.6
73.02958	5.1
83.01416	3.6
85.02954	9.9
89.02441	25.6
95.01379	1.8
97.02924	1.0
99.00960	1.0
101.02445	20.9
101.98167	1.1
113.02454	12.2
119.03494	9.8
121.02967	1.2
126.85984	1.0
143.03535	1.4
161.04582	6.5
166.24573	1.0
179.05602	4.7
189.14996	9.3
200.85664	1.0
321.17459	1.4
351.20349	69.1
433.42590	1.0
439.74316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43463	5.0
54.82673	5.3
58.00596	9.0
59.01389	40.0
67.29981	6.5
69.13615	5.5
71.01388	6.1
72.54387	6.1
95.30620	6.0
96.96022	25.1
103.00366	24.9
149.02463	45.0
150.03239	78.5
164.04756	27.8
165.05545	100.0
195.06618	39.7
327.10840	39.7
411.10654	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1272
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.18801	1.1
59.01383	2.7
67.60110	1.2
72.00912	47.1
72.01285	2.6
74.02464	21.4
75.95533	1.2
76.57311	1.4
84.95149	2.3
85.21870	1.5
92.65176	1.4
96.96014	2.6
100.00408	100.0
100.04056	6.4
118.04253	3.1
118.05103	95.7
134.04724	5.6
135.04539	7.0
144.03033	53.1
151.40196	1.4
160.02670	6.1
165.05566	6.0
207.27432	1.5
214.89954	1.7
317.64453	1.4
351.92511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
85.69054	1.6
95.81507	2.1
96.96011	2.3
98.95633	2.9
99.00855	7.3
99.92087	1.7
99.92579	76.5
100.93363	8.5
115.92069	74.9
116.92850	100.0
118.80117	1.7
137.73637	1.7
197.17125	2.1
214.63324	1.8
293.04977	2.0
311.22284	9.8
363.12668	3.6
366.62677	2.0
375.12708	39.7
393.13794	15.9
407.11801	3.0
411.14838	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	410.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13937	0.2
54.78781	0.2
59.01386	0.2
61.98833	100.0
63.57381	0.2
68.79454	0.2
82.85048	0.2
91.93954	0.2
111.79828	0.2
139.44769	0.2
167.79324	0.2
329.13959	1.4
367.21912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63702	0.2
55.36844	0.2
55.59646	0.2
61.98833	100.0
63.23336	0.2
117.46649	0.3
126.46022	0.2
135.04521	0.4
140.44717	0.2
145.31313	0.3
145.90302	0.2
180.07973	1.1
193.08820	0.3
241.95500	0.3
257.65103	0.3
273.88174	0.2
296.18573	0.3
317.14038	1.1
329.14020	0.4
333.89340	0.3
342.54999	0.2
347.14975	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	409.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66440	0.3
78.95908	81.6
96.96963	6.8
125.85582	0.3
150.98055	2.9
152.99596	100.0
167.68935	0.3
171.00620	2.5
228.61935	0.3
255.23268	3.5
319.84155	0.3
331.86572	0.3
409.23648	14.7
409.29108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23470	0.9
77.30501	1.0
96.98804	1.0
99.92583	82.1
115.92088	12.1
116.92862	13.7
118.02996	1.9
118.89973	100.0
133.20087	1.0
134.88559	1.2
134.89458	7.9
135.90242	23.8
141.93674	1.8
150.88963	2.3
151.97049	1.0
212.01572	1.2
240.55196	1.1
291.19724	4.0
292.20074	4.7
374.12018	13.9
410.09647	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69227	2.4
54.34628	2.6
57.03469	3.0
57.63510	2.5
59.01393	20.0
61.98848	4.2
68.04008	2.7
71.01376	3.5
78.91883	4.6
80.91268	3.8
80.91685	30.8
85.02936	4.3
95.05019	4.3
97.06593	3.0
131.12460	2.9
139.11276	3.3
153.12927	4.4
163.11290	6.1
165.12833	29.8
171.10303	21.5
180.20158	4.0
181.12114	3.8
183.10307	7.2
185.11859	3.7
193.08488	15.2
193.12189	3.7
205.12132	6.2
207.10054	19.7
207.62955	3.3
211.13429	40.9
221.11739	21.4
225.11333	5.2
229.14470	21.9
231.10094	11.3
233.11615	100.0
248.83382	3.2
249.11113	12.0
251.11389	24.7
251.12752	14.5
261.10968	16.1
266.99103	3.4
313.18091	4.5
327.21820	81.1
331.18918	6.8
349.19998	84.3
373.25879	12.1
393.19110	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	409.2363
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
51.99540	0.3
75.38219	0.3
78.95900	60.0
86.69608	0.3
96.96951	6.8
150.98022	2.3
152.99596	100.0
171.00670	2.3
192.81660	0.3
214.52289	0.3
255.23308	2.3
409.23691	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	409.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79755	19.9
59.01397	100.0
61.98839	34.8
90.50127	19.8
95.03801	23.0
99.97279	20.5
121.16650	20.3
123.47684	18.8
165.86421	20.5
211.13470	32.9
226.46700	23.3
314.45435	23.1
373.26047	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2023
Annotation	andiconin
Peak:m/z	Relative Intensity
53.68380	3.5
54.73503	4.6
55.81495	3.9
59.01396	10.2
59.56790	4.3
61.98836	8.0
91.80830	4.8
94.77233	5.9
97.06594	19.3
99.52951	4.4
146.03818	34.6
162.38971	5.5
164.04825	7.9
172.05295	8.7
173.06035	5.5
175.07639	92.4
182.06377	5.1
184.84874	4.9
190.06346	8.5
199.07664	9.0
200.08546	6.3
201.09195	29.9
229.12296	6.3
311.12857	34.6
312.13806	7.1
327.06854	9.2
337.14539	8.5
353.17978	7.0
409.20111	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	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75720	2.5
59.01387	14.8
61.98830	24.8
63.97723	3.1
63.99259	3.8
68.77779	3.0
69.03477	3.5
77.02680	2.7
80.91671	31.7
82.20383	2.8
82.95428	5.8
86.72694	2.9
91.22314	2.8
92.66579	3.5
112.05318	3.7
115.07606	4.2
127.07661	4.6
129.09222	50.1
141.09213	21.6
155.10782	20.8
171.10294	17.1
173.43869	3.2
185.11841	41.9
189.11537	3.2
193.08383	3.4
193.12416	4.0
197.11882	37.7
207.10051	64.7
209.11749	5.9
219.10107	26.7
246.72060	3.6
291.19687	19.0
309.20752	23.9
327.21732	61.7
331.18909	100.0
349.19568	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	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	2.5
57.03454	100.0
57.16768	1.0
59.01384	94.9
68.33746	1.0
70.67302	1.3
71.01377	30.4
73.02949	9.2
83.01402	5.8
85.02949	18.3
87.00055	1.2
87.00871	1.2
89.02451	7.5
99.00897	2.3
99.04513	52.8
101.02435	45.9
113.02448	18.6
125.02455	23.6
134.03467	1.5
150.44521	1.3
159.03033	1.9
161.04582	17.9
177.53081	1.2
192.34357	1.3
208.24030	1.2
215.94972	1.3
247.11938	2.9
265.12955	50.5
307.14093	12.8
349.11572	2.1
409.17197	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	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36408	0.7
55.01885	2.0
57.03452	100.0
59.01382	90.4
60.17028	0.9
71.01376	33.3
73.02941	13.4
81.03465	1.6
83.01402	6.2
85.02946	20.3
87.00872	1.1
87.37593	0.9
89.02462	6.5
95.01392	1.3
99.00890	5.6
99.04512	51.4
101.02433	47.2
101.06078	1.1
113.02444	14.7
125.01614	2.0
125.02442	28.2
143.03561	2.3
159.02992	2.4
161.04572	13.9
229.93253	1.1
247.11778	1.8
265.12924	49.6
307.10880	1.0
307.14066	11.9
336.28955	1.1
347.17081	1.2
409.16998	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	409.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47290	0.8
59.01383	6.8
61.98831	100.0
70.54399	0.8
71.23302	0.8
78.95903	1.9
82.95666	0.8
92.66300	0.9
96.96003	35.8
96.96986	5.2
97.02944	1.4
98.95597	5.2
99.00880	4.4
99.92577	80.1
100.92755	1.0
100.93328	7.4
113.92608	1.0
114.93413	1.1
115.92072	60.2
116.92854	89.6
191.95215	1.3
246.14954	0.9
293.04919	1.7
293.21304	2.2
304.03989	1.1
311.22180	4.4
322.05234	6.7
349.17285	0.9
373.11169	31.0
387.09369	1.3
391.12177	15.1
405.10156	6.1
409.13226	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	408.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
60.13155	0.1
61.98836	100.0
62.02005	0.1
63.89214	0.1
71.84733	0.1
71.91215	0.1
77.31564	0.1
77.82230	0.2
88.93165	0.1
92.10744	0.2
106.23646	0.1
114.39308	0.1
135.04535	0.6
180.07901	0.6
196.56522	0.1
265.02090	0.1
270.83347	0.2
315.12448	0.9
327.12567	0.3
327.68173	0.2
345.13455	2.1
416.20581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.6
60.01722	0.8
61.01807	1.3
61.98832	100.0
62.90009	0.2
66.02319	0.2
76.57822	0.2
77.26556	0.2
92.10159	0.4
96.95982	1.7
99.92567	0.8
116.92862	0.5
132.55438	0.2
152.32759	0.2
219.52220	0.2
240.12888	0.2
307.53775	0.2
339.10632	0.3
419.72098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97920	0.2
59.01391	1.2
61.01805	0.2
61.98834	100.0
65.43150	0.2
68.64091	0.3
69.23751	0.2
74.35103	0.2
88.37429	0.2
106.33897	0.2
149.24387	0.3
184.64325	0.2
200.70650	0.3
219.47276	0.2
228.10814	0.3
285.27164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05556	0.7
59.01364	0.8
61.05827	0.7
66.86433	0.7
69.28613	0.7
71.61587	0.6
78.95911	0.8
79.88096	0.7
94.00001	0.7
96.96011	2.0
98.95590	5.2
99.00891	5.1
99.92580	46.7
100.93354	6.4
109.06648	0.9
115.92072	55.7
116.92854	100.0
128.84906	0.8
139.50868	0.8
140.78766	0.8
152.99582	0.8
194.63989	0.8
215.98831	0.9
226.99858	0.8
281.05249	1.0
292.46423	0.8
373.11252	9.7
387.09106	3.4
391.12277	8.2
405.10193	1.3
409.13315	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	407.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73888	2.3
59.01370	11.3
61.98836	53.6
69.03463	3.8
72.99314	17.6
78.91900	4.9
80.57838	2.4
80.91690	16.2
82.95422	3.4
84.55262	2.5
97.02947	15.2
107.04914	3.3
127.13052	2.6
129.05586	3.2
141.09259	4.9
143.07262	2.7
145.42494	2.7
150.78714	2.6
152.04715	2.6
182.15347	2.9
199.13397	2.9
222.43396	3.1
249.11107	13.7
261.18475	3.7
266.75140	2.6
277.10440	3.4
278.11395	100.0
279.19656	17.9
325.20264	86.7
347.18326	32.3
357.09872	3.5
410.23532	2.8
417.82416	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	407.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84298	0.4
58.08502	0.3
61.98817	0.4
63.28016	0.4
74.35474	0.4
78.95899	100.0
80.00279	0.4
86.79727	0.4
96.96953	8.7
114.30843	0.4
150.97987	1.0
152.99596	69.1
171.00645	47.6
171.01894	0.5
180.26149	0.6
201.23553	0.4
316.21176	0.4
407.21909	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	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.43071	0.3
51.77934	0.3
51.84036	0.3
52.12444	0.3
54.64431	0.3
59.01361	0.3
59.50143	0.4
78.95901	100.0
92.10252	0.4
96.96960	8.7
128.61559	0.4
150.98022	0.7
152.99600	73.9
171.00655	45.5
407.22125	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	407.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14613	12.0
59.01390	82.4
61.98846	81.5
71.01391	13.5
92.10094	29.2
93.21838	14.1
96.95995	100.0
106.65603	13.7
108.28105	13.0
148.02200	14.7
167.05124	15.3
174.40900	15.0
209.11885	26.7
287.11224	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	407.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35421	17.9
59.01397	100.0
61.98838	34.5
79.22600	19.0
87.87785	18.3
89.02448	22.3
92.10100	20.4
94.56242	20.0
103.09325	21.2
105.79856	22.5
106.22563	25.7
141.01913	18.7
158.96626	21.3
371.17523	19.4
377.91776	23.0
404.68854	21.9
407.18384	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03454	100.0
59.01384	65.4
61.98827	4.9
69.04414	1.0
71.01373	19.1
73.02945	9.3
74.40012	1.0
75.89193	1.0
78.61546	1.3
81.03459	1.7
83.01395	5.8
85.02953	9.7
89.02457	1.7
99.00919	1.2
99.04512	48.8
101.02438	31.8
113.02428	9.5
125.02454	14.8
139.25726	1.2
143.03468	1.5
161.04533	6.0
171.67854	1.3
263.15002	26.6
407.19330	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	407.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.2
59.16762	2.4
61.51355	1.9
61.97163	2.6
61.98829	2.6
69.59206	1.9
71.01382	38.7
71.04984	1.8
76.31194	1.8
80.91682	48.3
83.05070	2.0
95.05029	4.1
119.03095	2.1
123.04511	13.4
125.09683	2.8
127.07638	16.1
139.07635	4.0
153.09230	4.0
155.10884	2.7
171.10300	3.8
172.60658	2.1
179.10582	2.4
185.11752	4.0
197.11806	11.8
207.10037	22.2
209.11865	32.8
219.10091	2.6
221.07922	14.2
231.10060	2.6
260.10358	27.1
264.09702	2.7
278.11380	100.0
289.17999	3.5
307.19180	39.6
325.20297	26.4
329.17346	37.0
347.18417	21.2
428.41510	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00725	0.8
57.03476	0.7
58.78384	0.8
59.01386	5.7
61.98836	9.9
66.51990	0.7
67.67489	0.7
71.01386	1.0
72.77613	0.8
72.99311	1.1
80.49834	0.8
93.03437	1.8
94.63306	0.7
109.02950	6.3
114.39232	0.9
121.02937	24.7
122.03734	16.2
123.04484	1.0
135.04555	3.5
136.05280	1.5
137.02434	1.7
140.07724	0.9
147.04549	9.2
149.06117	1.9
150.03227	0.9
154.02751	3.7
161.06070	1.8
165.05569	37.0
178.06348	1.2
179.07156	11.5
185.11917	1.1
223.09882	1.0
296.31589	1.0
298.11887	0.9
315.12418	4.8
346.14270	11.2
361.16605	100.0
362.17227	1.1
407.26871	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	407.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31182	3.7
59.01392	100.0
61.98382	3.7
61.98834	23.1
71.01400	6.7
73.93978	4.1
80.06126	3.8
89.02458	9.8
93.83485	4.2
103.00359	40.5
109.02981	5.3
171.10269	5.8
192.07715	5.6
209.11868	23.8
229.14474	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	407.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49651	2.2
54.89101	1.8
58.30462	2.3
59.01379	32.7
61.98832	3.9
64.34738	2.1
71.01392	5.0
82.62218	2.6
85.25833	2.6
87.00883	41.7
89.02452	3.7
90.29105	2.4
96.96030	3.3
101.02410	3.4
107.01408	3.5
113.02498	2.7
116.92873	11.9
134.03719	6.2
135.04535	11.1
150.03162	3.0
151.00340	4.1
151.04013	3.1
183.35072	2.5
194.02219	3.0
209.04610	4.0
213.05618	14.2
241.05099	87.1
245.04546	19.9
256.07428	59.5
271.09821	100.0
289.28564	3.3
319.11975	13.3
378.85269	2.7
407.13477	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	407.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08698	0.6
55.01888	4.6
57.03465	4.8
59.01382	33.2
60.03610	0.7
61.98839	8.3
62.97725	0.6
71.01377	37.5
72.99285	1.0
73.02939	10.7
83.01359	5.6
85.02948	21.5
87.00872	1.1
89.02437	10.6
95.01411	3.5
99.00880	3.6
99.04552	1.1
99.32148	0.7
101.02438	25.0
113.02448	14.4
119.03462	2.9
159.03091	0.9
161.04596	3.8
263.15289	1.1
310.90262	0.9
371.17160	100.0
372.17310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01386	13.8
61.98860	1.1
71.01384	4.4
75.71784	1.0
80.91674	2.3
85.02963	1.8
89.02454	1.2
92.83385	0.9
93.45094	1.0
93.79963	1.0
96.95989	1.5
101.02448	1.3
113.02469	3.8
116.92857	1.2
117.03475	5.8
118.04208	1.4
119.05023	90.4
121.02936	9.0
122.03690	1.7
123.04545	2.1
133.02940	1.5
134.03720	2.2
150.03262	11.4
153.01932	1.8
163.04018	18.3
165.05560	1.6
173.04675	1.5
182.05881	7.6
185.02206	100.0
187.04018	1.6
191.05614	2.5
194.02220	9.9
197.08197	25.3
203.03220	6.3
205.71851	1.2
209.04556	24.7
210.05215	1.1
347.07391	7.9
347.17328	1.5
371.09799	2.3
407.19031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98830	100.0
73.68969	0.2
77.00595	0.2
78.91887	0.2
79.28962	0.2
94.50999	0.2
112.60003	0.2
132.60193	0.2
142.45918	0.2
165.20363	0.2
228.09549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43082	0.8
59.01390	4.0
61.98832	100.0
78.91899	1.0
81.58115	0.8
89.66786	0.8
115.91099	0.9
126.11572	0.9
154.19972	0.9
161.23566	0.9
170.59222	0.9
171.60017	1.0
180.38623	0.9
242.08200	0.9
289.17676	0.9
307.19083	1.0
325.20181	1.6
326.37930	1.0
401.67203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.11
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92132	1.2
55.41680	1.1
57.21635	1.3
58.10966	1.3
59.01382	22.7
61.98843	2.7
65.99857	1.7
71.01391	1.8
82.02988	13.6
83.01418	1.4
85.05477	1.7
89.02443	1.6
101.02429	2.1
138.63763	1.3
160.07652	3.2
162.04404	1.9
164.03612	7.1
167.03378	1.7
171.10289	8.6
172.07645	1.5
174.05540	2.6
186.05571	1.5
188.07191	3.3
189.03079	2.1
189.06664	1.7
202.08751	5.8
215.04637	2.9
215.08278	2.1
216.05391	9.0
216.10178	1.6
217.02580	8.6
217.06161	16.6
218.06943	2.4
228.06578	5.2
229.06137	16.5
230.03394	2.6
230.06956	1.8
231.07709	21.9
232.08473	3.0
241.06238	5.2
242.03365	1.9
243.04146	30.4
243.07788	6.8
244.04893	15.4
244.09877	16.6
245.09299	10.4
248.09174	2.2
256.04932	11.0
257.05692	22.3
257.09552	1.8
258.06503	10.3
259.07285	52.0
259.10922	11.6
269.09247	3.3
271.07251	28.9
272.08282	1.6
285.08881	2.8
287.10406	78.0
288.08905	6.4
291.09897	17.1
313.08359	100.0
314.08463	2.3
331.09369	44.9
345.10953	7.8
373.13644	1.9
375.08395	22.1
389.09915	3.0
407.10928	49.0
407.19135	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	406.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87971	0.2
54.50780	0.2
55.02515	0.2
59.01382	0.6
61.98834	100.0
66.10149	0.3
75.11418	0.3
76.86187	0.3
80.22236	0.3
85.77058	0.3
92.99559	0.3
118.02156	0.3
134.18584	0.3
140.21878	0.3
141.37415	0.3
150.46700	0.3
164.79570	0.3
174.66061	0.3
232.30760	0.3
253.31070	0.3
272.62238	0.3
336.71036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34913	0.3
53.39476	0.4
54.46945	0.5
58.60471	0.4
61.98843	100.0
75.84309	0.4
82.95436	0.5
89.41862	0.4
124.78915	0.5
142.14655	0.4
159.37856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82385	1.0
59.01388	1.4
61.98832	100.0
145.78625	1.1
194.09094	1.4
213.33894	1.0
285.03668	5.1
344.52502	1.1
346.17441	13.9
380.71387	1.2
406.10510	15.3
432.24146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29924	0.7
55.25564	0.9
59.01385	3.2
60.71939	0.8
61.98830	100.0
76.58040	1.4
94.37012	0.8
121.59164	0.9
332.90442	0.8
365.34680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78733	0.2
58.42332	0.2
59.01375	0.3
59.64188	0.1
61.02805	0.2
61.98831	100.0
64.34419	0.2
72.53298	0.2
85.16080	0.2
92.65617	0.2
95.02703	0.2
116.92800	0.4
133.03001	0.2
149.37558	0.2
154.00146	0.2
154.56378	0.2
159.61792	0.2
169.20099	0.2
406.06442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67397	0.6
58.73256	0.7
59.01397	1.7
60.86739	0.7
61.45464	0.7
61.98830	100.0
66.61930	0.7
71.71820	0.8
80.81631	0.8
107.29633	0.9
110.70365	0.8
112.88857	0.9
121.02938	1.2
122.03737	4.6
123.04547	2.1
134.03728	3.1
148.05345	0.9
150.03241	1.6
157.46811	0.8
160.05365	0.9
161.06105	6.2
162.06906	1.2
163.07672	10.4
164.57304	0.8
176.04800	3.3
177.05499	1.8
194.05891	2.9
205.05078	2.0
206.05707	1.3
207.36292	1.0
228.04298	0.9
238.04820	9.1
243.06677	1.4
244.06779	1.1
248.20430	1.0
299.12909	55.4
343.11896	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99284	0.2
59.01385	100.0
91.03989	0.4
92.10770	0.8
96.66467	0.2
100.06067	0.2
108.54514	0.2
126.19591	0.2
132.98518	0.2
139.25711	0.2
241.01328	0.2
271.22867	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	405.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63129	0.2
55.72202	0.2
59.01392	100.0
66.36026	0.2
68.80370	0.2
72.60238	0.2
73.77161	0.2
77.94188	0.2
91.04020	0.3
92.10041	0.4
96.52782	0.2
103.36308	0.2
103.36974	0.2
145.04176	0.2
271.22852	1.9
323.49191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08068	1.4
57.15651	1.6
59.01387	2.1
59.20586	1.5
84.91158	2.1
90.47155	1.9
98.23815	1.7
99.08158	23.6
104.73266	1.6
127.07646	19.0
128.42233	2.0
131.29147	2.0
135.06134	1.7
145.08713	73.0
166.42857	1.8
179.58963	1.9
192.76750	1.9
249.94806	1.7
250.69890	1.8
254.68671	1.8
277.21716	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	405.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44214	1.1
57.62219	1.2
57.73749	1.2
61.03627	1.3
64.60430	1.5
71.26393	1.2
72.99321	7.8
97.06605	8.4
125.06078	69.1
129.63611	1.3
141.73630	1.3
143.07156	48.7
196.18111	1.9
218.01608	1.4
249.86922	1.3
279.23309	100.0
306.53424	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27491	13.2
59.01384	97.8
61.98838	100.0
75.00906	18.5
78.95923	30.6
89.47012	16.3
96.96018	22.3
167.19870	15.8
209.11841	30.4
209.56558	16.3
293.03125	18.3
297.33261	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	405.2651
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
51.05616	0.7
51.38669	0.9
57.03460	0.9
59.01381	4.7
61.98858	0.7
64.34364	0.6
65.07447	0.6
65.16469	0.6
83.04998	1.0
83.27213	0.6
97.06589	1.1
109.06579	1.1
111.08175	0.9
137.09775	0.9
181.12314	1.2
211.13429	1.3
213.14967	2.5
214.72859	0.7
239.16566	3.1
241.18028	2.6
253.17874	0.9
315.26865	2.5
325.25272	5.2
333.28091	0.9
341.24994	1.7
343.26477	4.3
351.23337	0.9
359.25757	5.4
361.27420	2.9
369.24487	4.0
377.26822	0.9
385.46341	0.7
387.25485	7.9
404.07742	0.8
405.26508	100.0
406.26794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
57.10861	0.5
58.00609	1.9
59.01386	4.9
60.83066	0.4
60.99303	1.0
61.98821	0.7
71.01396	1.9
73.02934	0.4
78.95897	0.5
83.89084	0.4
85.02956	1.0
87.00887	2.4
88.98792	7.7
88.99272	0.5
89.82027	0.4
96.96003	15.4
99.04559	0.5
101.02461	1.7
107.05045	4.4
108.02167	0.4
109.03005	0.6
111.00877	3.0
113.02455	0.9
119.05004	5.2
120.58688	0.4
121.02961	0.9
123.04533	0.4
134.02707	1.1
134.03734	29.6
135.04527	100.0
137.06148	0.5
146.03690	0.5
147.04510	6.3
154.21585	0.4
161.04562	2.8
165.05573	13.9
167.42017	0.4
191.02007	0.6
217.05305	0.7
290.97272	0.5
297.09818	17.5
327.10892	1.5
357.88385	0.4
360.49176	0.4
401.78036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.1
57.03455	100.0
59.01385	77.6
61.98841	6.0
64.34237	1.1
65.57230	1.0
71.01388	19.5
73.02938	9.2
81.03452	0.9
83.01408	5.3
85.02302	0.8
85.02476	1.0
85.02946	11.1
87.00922	0.9
88.67743	0.8
89.02499	1.7
89.06767	0.9
99.00882	4.0
99.04517	47.2
101.02448	33.4
113.02448	7.2
125.02453	13.8
135.08202	1.8
143.03520	1.1
150.75143	1.1
153.09186	2.0
159.03038	1.3
161.03407	1.0
161.04572	9.0
176.85239	0.9
201.11324	5.3
203.13135	1.2
209.11942	3.7
231.12375	5.1
241.55101	1.0
261.13470	29.4
266.26514	1.0
291.19708	1.7
303.14536	1.4
343.17432	1.7
387.23965	4.4
405.17432	6.6
405.25226	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	405.192
Annotation	isoadenolin A
Peak:m/z	Relative Intensity
52.23154	0.9
59.01385	12.1
61.98833	9.6
93.86026	1.2
112.01416	1.3
117.03458	4.0
121.02963	13.6
122.03728	1.7
133.03044	1.6
136.05365	1.3
136.98772	1.8
138.11250	1.1
148.05280	2.3
149.06157	1.9
163.90744	1.4
165.05609	2.2
177.05579	5.6
178.06374	1.3
180.04301	2.3
182.05844	7.1
192.07953	2.1
193.08688	16.4
194.09525	8.0
207.06590	1.3
208.07478	9.4
209.08200	1.9
212.04819	1.4
223.06886	1.3
226.08247	1.4
284.03372	9.4
285.04034	2.4
299.01852	1.2
300.02774	4.6
300.10034	1.5
315.12442	2.5
330.14786	5.7
345.17123	100.0
346.17355	1.6
368.06882	1.1
405.05112	13.3
405.10730	14.5
407.03189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.0
59.22016	0.7
61.77539	0.7
61.98832	7.2
63.72948	0.8
71.01379	11.7
73.02958	0.8
82.95432	3.7
85.02983	3.6
87.00874	6.4
88.98820	0.9
89.02461	11.3
92.10677	1.3
95.01376	1.3
96.96003	7.9
99.91756	0.9
101.02431	6.1
108.02166	1.8
111.89263	0.9
113.02457	4.8
119.03524	4.5
121.02950	1.9
123.04539	1.9
130.64314	0.9
149.02451	47.1
150.03232	81.7
160.45218	0.8
161.04553	4.7
164.04796	20.0
164.33290	0.8
165.05568	100.0
167.03560	1.2
179.05650	4.6
221.06557	1.4
327.10751	8.9
429.54785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82614	1.6
59.01377	8.2
61.36662	1.6
61.98843	8.4
73.20863	1.5
77.31882	1.6
93.03471	3.9
96.96017	3.4
108.83118	1.5
117.03454	20.2
117.95778	1.8
142.23737	1.7
145.02994	1.7
159.04524	12.2
161.02345	3.2
170.03732	8.4
171.04535	4.0
173.02432	8.4
175.03999	11.1
179.70534	1.9
187.03993	3.1
199.04044	32.5
201.01971	7.2
203.03648	2.2
213.01976	3.6
214.02718	21.5
215.03581	20.5
241.01463	7.2
243.02995	100.0
267.02994	12.1
269.00894	4.0
285.04041	23.0
311.02005	7.4
329.14172	1.7
381.03568	2.0
405.00891	4.0
405.06210	96.4
405.14871	2.9
418.53876	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	405.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29099	0.2
55.48156	0.2
57.03452	4.0
59.01382	4.5
61.98835	1.0
64.15882	0.2
71.01389	0.8
75.00888	0.2
77.62603	0.2
77.63134	0.2
78.95905	1.8
79.95749	1.7
82.95417	0.2
83.01443	0.2
85.02988	0.3
87.00939	0.2
88.98772	0.3
89.02448	1.0
96.29047	0.2
96.96014	100.0
98.95657	0.2
99.04525	2.4
101.02441	1.3
101.03790	0.2
103.92021	0.4
113.02474	0.5
114.93417	1.3
116.92871	1.9
125.02448	1.1
139.67255	0.2
141.73608	0.2
149.02425	1.7
150.03246	3.7
161.04543	0.3
163.06155	2.9
164.04765	0.9
165.05565	4.7
179.05693	0.4
188.67006	0.2
205.07246	0.5
269.50452	0.2
296.40350	0.2
307.10397	3.4
327.10840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.6
61.98856	1.9
65.00327	0.4
92.10075	0.7
92.65788	0.6
93.03452	10.6
101.03963	10.1
117.03468	41.6
118.03813	0.5
127.05514	1.6
127.97431	0.4
129.03456	4.1
131.05040	7.1
133.02968	2.0
135.04497	3.1
143.05031	0.8
153.03433	0.6
155.05031	40.7
157.02945	7.3
158.03673	0.8
159.04529	17.8
161.02444	3.8
167.05029	0.9
171.04509	1.9
171.41245	0.5
175.02681	0.4
175.04001	3.8
177.01944	1.0
179.05037	0.6
181.02934	2.8
195.04384	0.5
197.02518	0.6
197.06111	0.9
199.04027	72.0
200.04411	0.5
201.01926	6.6
203.03546	4.8
214.74312	0.4
223.04021	5.1
225.01990	4.0
241.05086	4.9
243.02985	100.0
244.03293	0.9
257.36752	0.5
266.02078	0.5
267.03012	21.4
269.00894	4.9
275.07379	0.5
285.04068	31.6
289.55081	0.4
301.10828	0.4
311.02011	13.5
319.06030	0.8
334.74094	0.5
361.07187	0.7
405.06210	87.9
406.06573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04788	0.4
59.01375	2.7
61.98833	100.0
83.92268	0.4
97.94997	0.4
135.04510	0.4
143.04558	0.5
161.02435	1.5
179.03494	0.5
180.07835	2.4
181.08429	2.6
182.09019	1.8
197.66074	0.5
341.08939	0.7
399.35352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.2
59.94221	0.2
61.98832	100.0
85.28009	0.3
87.39468	0.3
87.54576	0.3
112.57243	0.3
168.97838	0.3
179.79222	0.3
195.20547	0.3
274.83533	0.3
276.15741	0.3
279.19687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12206	0.4
59.01387	0.5
61.98833	100.0
71.63604	0.4
72.30402	0.5
86.55012	0.5
140.95532	0.5
145.53453	0.5
196.51505	0.5
256.51770	0.6
309.51114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70380	0.6
59.01381	3.8
60.77639	0.5
61.98839	3.1
65.00333	6.5
69.39095	0.5
88.98814	0.6
90.97839	0.5
93.03442	3.7
93.36964	0.6
103.00397	1.2
110.00139	0.9
115.11900	0.6
116.07725	0.7
117.03460	14.5
119.01391	0.6
119.04987	2.9
120.99297	1.1
121.02950	2.7
128.55431	0.6
128.68170	0.6
133.02942	0.8
136.01694	0.9
136.98811	8.7
137.02423	3.9
140.25470	0.6
143.04994	1.1
145.02960	0.8
150.79120	0.7
155.04974	1.3
163.00363	1.4
164.01143	3.1
164.98398	0.8
165.99020	4.7
167.05000	1.2
171.04567	1.2
183.04506	1.4
185.06062	1.5
186.03300	0.7
187.03941	0.7
195.04555	2.8
196.05251	1.0
199.04034	1.5
200.04836	2.8
211.04050	5.1
212.04814	3.6
213.05539	2.6
224.04723	0.8
227.03528	3.0
239.03484	6.8
240.04213	2.3
241.05090	1.4
243.02954	2.7
247.09462	0.9
255.03044	2.2
256.03659	0.9
267.02975	3.8
268.03778	2.6
269.04544	3.1
283.02563	4.7
284.03284	45.5
285.04068	85.2
301.10767	1.0
361.07227	20.8
396.09940	0.7
405.06158	100.0
406.06696	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	403.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20919	1.0
59.01384	100.0
61.98844	6.5
66.07063	1.0
93.07115	2.0
98.10236	1.0
146.72168	1.2
183.17558	2.5
185.45049	1.3
197.95908	1.3
198.78894	1.1
213.18616	19.3
314.44409	1.1
343.28494	5.9
346.34647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82908	0.6
56.76484	0.5
59.01384	100.0
61.98829	17.6
61.99121	0.9
65.31689	0.6
75.03168	0.6
76.20451	0.5
86.06510	0.6
118.41136	0.6
155.07211	0.7
162.45934	0.7
203.55855	0.6
213.18666	1.4
257.21152	0.8
268.57611	0.8
343.28601	1.4
359.59695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
68.13984	0.3
71.01372	0.3
86.20149	0.3
90.79943	0.3
99.07078	0.3
125.06404	0.3
209.86292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40550	0.5
59.01398	1.0
72.26843	0.7
72.99308	9.4
91.98399	0.7
92.10793	1.3
92.65993	0.7
97.06605	7.0
108.36854	0.7
125.06082	75.9
138.79572	0.7
143.07152	79.9
150.84715	0.7
244.89015	0.7
249.12341	0.8
277.21762	100.0
278.22150	1.0
403.28375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05263	0.2
54.87953	0.2
59.01382	100.0
61.98835	0.4
65.27045	0.2
75.00884	0.3
93.07089	1.5
107.38450	0.2
118.31521	0.2
134.30992	0.2
179.14417	0.3
194.95444	0.2
213.18605	4.7
315.14755	0.2
343.28589	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39531	68.9
52.29185	67.6
52.81922	67.9
54.02858	61.9
60.34373	68.4
77.84680	60.6
133.40160	85.7
221.96335	82.4
300.04041	90.7
307.04736	83.3
312.60458	85.4
331.61209	90.2
340.78885	88.2
404.33377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30072	0.6
58.65500	0.6
59.01395	1.8
63.83516	0.7
117.03468	26.7
119.05025	27.4
121.02972	2.0
125.04758	0.9
145.02968	100.0
163.04015	14.0
194.60555	0.8
197.68619	0.9
211.23555	0.8
257.21231	9.7
339.47415	1.0
385.23862	1.1
403.24915	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99429	0.9
51.10566	1.0
51.57838	1.0
51.80922	1.1
51.89354	0.9
55.50779	1.0
59.01384	3.2
61.81142	1.2
63.08114	1.0
65.88310	1.1
81.05341	1.2
83.14303	1.3
83.84511	1.2
85.48100	1.2
92.31807	1.5
95.77570	1.2
105.49683	1.2
109.43232	1.1
117.03477	19.8
119.05030	36.3
121.02934	2.7
121.15865	1.3
135.04544	2.4
145.02963	100.0
163.04042	21.2
257.21136	10.2
403.24924	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82524	1.2
56.00206	0.9
56.13343	1.0
59.01382	100.0
60.04839	1.0
61.98811	4.1
65.52143	1.0
65.97066	1.0
233.02541	1.2
264.77606	1.3
269.21194	1.9
315.27362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68039	0.4
52.44848	0.4
59.01383	100.0
61.98838	1.2
148.23012	0.6
148.24174	0.6
218.25031	0.5
269.21182	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	403.1766
Annotation	Xerophilusin A
Peak:m/z	Relative Intensity
50.74046	0.6
54.66309	0.7
58.70094	0.7
59.01384	100.0
62.96385	0.7
66.97812	0.7
68.43553	0.7
68.55978	0.7
70.34362	0.8
71.01376	0.8
93.03471	6.4
108.02203	3.7
109.02940	6.9
121.02959	48.8
122.03733	8.7
123.04527	10.9
135.04524	2.0
136.05269	3.3
137.02420	1.9
146.03786	1.8
147.04538	8.8
149.06075	1.5
150.03328	1.2
154.02701	1.4
159.04512	1.8
160.05260	1.3
161.06099	13.5
162.06837	1.2
163.04071	1.2
165.05612	7.1
173.06105	3.8
175.07681	5.2
179.07133	2.1
190.06352	4.7
191.07149	8.1
192.07956	8.1
205.08714	2.1
207.10297	5.0
220.94225	0.9
270.09006	2.1
271.06088	1.5
283.09854	1.0
286.17850	1.0
297.11398	1.4
298.12360	1.8
313.11206	1.1
313.14587	5.2
328.13211	24.6
343.11844	7.4
343.15570	45.1
361.16632	14.3
385.96417	1.0
388.15359	3.1
403.17694	44.2
416.38034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69895	1.7
59.01382	100.0
61.98852	2.5
64.46177	1.6
107.56350	1.8
146.01344	1.9
159.41664	1.9
161.41992	2.1
173.30751	2.0
210.73036	1.8
258.21594	1.9
269.21149	2.5
293.22003	1.8
372.40384	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40403	0.7
55.01881	0.9
59.01382	100.0
60.19157	0.7
61.98834	2.0
64.33922	0.9
71.01379	10.4
72.99259	1.0
73.02942	0.9
73.67005	0.8
74.02477	1.9
85.02950	4.2
88.63960	0.7
88.98796	6.1
89.02438	10.6
92.64999	1.1
95.01375	0.9
96.96024	1.8
97.86783	0.7
99.05639	1.3
101.02457	5.6
110.26963	0.7
113.02424	4.0
119.03499	1.8
121.02957	1.3
128.03526	5.7
143.04652	6.8
146.97046	0.8
160.00801	0.8
161.04544	4.0
166.02692	1.1
166.06360	19.4
167.03473	1.2
178.43781	0.9
180.07732	0.9
181.05046	1.0
181.08688	12.6
207.02620	0.9
223.09654	0.9
262.29227	0.9
272.09003	1.0
306.07602	6.5
403.16193	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79068	1.1
55.01901	1.4
57.03456	6.1
59.01384	11.3
61.98833	3.0
64.81533	1.3
69.81704	1.2
71.01371	10.9
72.99306	19.2
72.99641	1.3
73.02960	2.3
75.00870	54.3
80.30146	1.1
83.05027	1.5
84.02153	1.4
85.02955	31.1
87.00898	6.5
89.02443	4.9
92.10207	1.5
97.02983	2.1
101.02427	1.7
109.02972	8.1
109.06616	2.2
111.94700	1.2
113.02409	1.3
115.00361	18.8
117.01930	1.4
119.05000	1.4
122.03778	1.7
123.04600	1.9
128.75925	1.3
132.22948	1.2
135.03000	15.9
136.05362	1.2
148.65100	1.3
165.12964	1.4
169.12285	11.0
171.10281	51.4
174.01738	2.1
175.02478	18.4
183.13792	1.6
193.12341	3.0
195.13902	24.2
197.11855	40.4
199.13539	1.5
205.12439	1.9
207.10323	2.6
211.13458	11.1
221.11853	6.4
223.13480	7.6
235.13452	1.4
239.12970	21.0
241.10785	2.6
241.14510	5.6
253.14493	1.5
263.13107	1.9
267.12418	10.5
281.10388	5.7
283.11935	39.7
285.13467	100.0
307.11749	1.5
315.14624	11.8
325.12979	6.4
343.14209	11.2
367.13989	1.5
403.19974	2.0
403.60248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10059	0.6
55.01877	0.6
58.02988	3.7
59.01383	100.0
61.98818	0.6
68.71226	0.5
71.01393	4.3
71.60267	0.5
72.00890	0.6
74.02143	0.5
74.02449	4.6
84.98775	0.6
85.02969	1.4
86.02498	0.7
86.44749	0.6
87.05643	1.4
87.25352	0.7
89.02463	1.0
99.05633	4.5
99.69801	0.6
101.02426	1.2
102.05517	0.6
102.44903	0.6
109.82545	0.6
113.02449	1.2
121.02951	1.1
122.03743	3.1
123.05672	0.8
127.05113	0.9
128.03534	13.3
143.04637	16.0
146.04681	0.8
153.06631	1.0
160.00752	4.2
161.04573	3.6
166.06355	21.8
167.04662	0.9
177.03291	0.8
179.04593	3.3
181.08716	26.7
210.08888	3.5
254.07843	4.0
272.08859	4.4
288.06696	0.7
304.06464	0.7
306.07657	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	403.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.5
62.32307	0.3
66.10349	0.3
67.73717	0.3
70.64877	0.3
76.57121	0.3
91.36563	0.3
92.10043	0.5
93.03448	6.8
93.03917	0.4
109.02997	0.5
117.03459	27.5
121.02983	0.4
130.04294	0.4
135.04541	2.3
138.38838	0.3
143.05002	3.8
147.77625	0.3
154.04245	2.2
154.87622	0.4
155.05090	0.5
158.03801	0.6
159.04529	12.1
160.98920	0.4
161.02415	3.3
167.05066	1.8
169.06593	0.5
171.04539	5.6
173.06067	11.4
175.03989	1.6
182.03766	0.7
195.04517	1.9
196.05307	1.7
197.06097	59.4
198.06416	0.6
199.04007	12.7
203.03561	3.2
209.06166	2.5
213.05548	0.6
221.06165	1.7
223.04059	4.6
239.07207	2.2
241.05089	100.0
242.05392	1.5
264.04306	0.7
265.05087	20.0
266.05392	0.4
267.02975	5.0
283.06155	22.1
309.04095	10.2
317.08237	1.9
322.84683	0.3
335.19235	0.4
343.11838	2.1
403.08286	70.3
404.08441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67910	2.1
59.01397	12.9
59.12917	2.8
72.82592	2.6
93.03472	12.7
111.08175	3.0
117.03452	37.1
121.03001	5.4
135.04492	9.0
159.04448	17.8
162.38300	2.6
173.06091	12.1
175.04007	3.2
197.06104	63.9
199.03996	14.1
203.03622	3.0
229.10925	3.0
241.05101	100.0
264.59274	2.7
265.04922	22.3
267.03156	3.8
268.07547	3.0
269.08282	5.0
273.56924	2.7
283.06143	26.9
309.04132	9.6
343.11948	35.3
403.08380	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18935	1.1
53.06374	0.9
56.78891	1.0
59.01387	4.7
60.12870	1.1
71.01395	1.9
80.05074	5.2
87.00864	1.5
95.03797	1.3
102.47944	1.2
104.05054	2.2
115.00380	5.2
122.06135	13.7
124.07659	2.3
130.03008	2.1
130.34518	1.2
132.04556	34.1
132.05513	1.2
143.00017	1.6
145.67926	1.1
146.06140	1.5
147.03291	2.5
148.04022	1.9
150.05602	4.5
158.02475	10.0
160.04039	16.7
161.04785	2.1
162.05574	5.8
174.01700	4.9
174.05603	2.1
175.02509	6.1
176.03539	16.1
176.07170	5.5
182.08398	1.3
183.09282	1.7
184.07736	3.0
190.05089	24.3
191.05884	1.3
196.11171	1.6
198.04309	2.5
198.09349	1.8
199.08948	1.6
209.07170	2.2
211.12508	7.6
212.05934	6.9
212.10814	7.5
213.06734	4.7
213.10527	1.3
215.11920	7.6
220.02428	1.6
223.08804	10.0
224.09593	22.7
225.06430	2.2
225.08269	2.4
226.07512	6.9
227.08374	10.7
237.10454	2.1
239.04633	2.8
239.08223	5.8
239.09401	1.8
239.11893	40.3
240.10652	8.9
241.09827	16.0
241.14435	2.0
250.07512	5.1
251.12932	1.4
252.05299	1.4
253.06201	39.8
254.06888	1.6
255.07780	7.5
255.11424	13.2
256.08551	5.1
265.09863	6.3
267.07858	9.7
268.08545	19.2
281.09399	12.1
283.10910	92.8
287.10516	1.6
309.08853	29.0
327.09891	83.4
345.18732	1.3
353.07742	4.7
359.12469	1.7
371.08856	100.0
403.11526	35.9
417.84222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16010	2.0
51.78884	1.8
54.82698	1.9
59.01398	13.8
61.98865	2.3
69.03446	2.1
71.01402	10.0
72.99311	2.8
75.00872	15.3
79.56962	1.8
80.05060	3.9
85.02975	10.7
87.00899	10.9
90.98733	1.9
92.05077	2.1
99.00867	2.3
104.05075	3.0
108.04569	3.4
109.02988	3.4
115.00383	32.2
122.06135	12.4
123.02429	2.0
130.03004	3.4
132.04567	41.3
135.02950	2.7
147.03264	11.4
147.04301	2.3
148.04074	5.4
150.05614	7.7
158.02521	18.1
160.04047	20.8
161.04823	2.7
162.05600	4.1
162.43471	2.3
171.10294	13.1
174.01682	9.5
175.02490	44.7
176.03529	22.2
176.07173	4.0
190.05122	35.4
191.05940	2.2
195.13872	2.9
196.11404	2.6
197.11835	10.2
198.04364	3.5
199.08795	2.7
209.07248	3.7
211.12254	4.5
211.13602	3.6
212.10811	5.2
213.06741	3.7
215.11925	4.3
220.02492	3.3
223.04941	2.2
223.08829	10.5
224.07393	4.9
224.09468	28.1
226.07445	3.3
227.08319	14.3
239.08372	4.7
239.11891	48.6
240.10204	13.1
241.09875	23.0
241.14624	3.9
243.82071	2.2
253.06195	54.5
255.07846	9.0
255.11436	13.6
265.09860	4.6
267.07822	10.7
267.12524	2.9
268.08539	20.9
281.09314	9.1
283.10889	93.5
285.13388	25.3
305.14090	2.5
307.11865	4.9
308.10898	3.1
309.08853	28.7
325.12854	3.7
327.09900	100.0
341.11441	2.8
343.14059	4.5
367.14014	4.0
371.08899	81.8
403.11499	71.7
403.16510	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	401.21
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20724	3.1
55.16636	3.5
59.01383	100.0
65.79745	3.3
67.91727	3.7
69.06532	3.3
71.01390	24.7
72.99284	4.6
87.00900	17.7
89.02440	26.1
101.02433	7.0
102.80892	4.1
119.03535	8.8
121.02965	24.8
151.02779	4.5
179.05696	6.1
183.62062	4.5
232.48599	5.1
239.85457	4.7
267.19724	7.9
285.24741	4.8
313.14532	5.6
341.10956	40.5
387.77124	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	401.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.87704	0.7
71.01381	0.9
72.99001	0.6
89.02447	3.1
113.02444	0.7
118.49966	0.6
119.03541	0.9
121.02891	0.6
185.26044	0.7
288.71490	0.9
341.10947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44351	0.5
59.01398	3.0
60.47430	0.5
61.98840	100.0
69.50937	0.5
70.71240	0.6
89.26645	0.7
92.10072	1.6
129.39073	0.6
163.11308	9.9
214.89320	0.7
273.54672	0.6
274.20099	0.7
339.23309	5.7
352.72925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0827
Annotation	Cnidimonal
Peak:m/z	Relative Intensity
52.80833	0.2
59.01077	0.3
59.01380	8.8
59.01652	0.5
61.98838	0.3
63.11154	0.2
64.34758	0.2
65.00330	3.6
65.29465	0.2
68.99828	0.3
71.30476	0.2
83.16988	0.2
92.10160	0.5
92.99806	0.4
93.03458	1.3
108.02187	0.4
110.00102	3.7
117.03461	12.5
119.01402	2.0
119.05011	1.9
120.20107	0.2
120.99290	0.3
121.02855	0.2
135.00952	0.3
135.04523	9.8
136.98799	5.0
137.02484	0.3
143.05009	1.1
145.03000	0.3
149.99571	0.3
155.05064	2.0
159.04518	0.6
161.02461	1.8
163.00369	1.9
164.01155	1.1
165.99052	3.8
167.05063	2.2
169.06541	0.4
171.04507	1.8
172.93327	0.2
174.03282	0.4
179.63225	0.2
182.03770	0.4
183.04520	2.1
184.05315	0.5
185.06056	0.5
186.03230	0.6
187.04010	0.6
190.99945	0.5
192.07909	0.3
195.04570	3.1
196.05254	0.6
197.06055	0.4
199.04001	0.6
200.04807	2.4
210.03201	0.3
211.04033	5.5
211.07541	0.3
212.04776	1.7
213.05569	1.2
217.05069	0.6
223.04041	1.4
224.04637	0.5
227.03513	3.3
228.04211	2.0
232.03738	0.4
239.03523	7.1
239.07065	0.3
240.04277	1.5
241.04929	0.4
255.02991	3.7
256.03830	1.0
257.04492	0.5
257.21402	0.4
267.03046	1.8
268.03833	2.6
283.02545	4.1
284.03281	33.7
285.04028	4.2
285.09113	0.4
309.90091	0.3
331.09933	0.3
348.18188	0.3
359.08942	0.4
361.07278	0.4
403.08282	100.0
404.08521	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	401.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82029	4.7
59.01389	100.0
61.66478	4.8
62.07338	4.7
62.67305	4.7
63.08925	4.7
65.31175	5.4
71.01397	33.8
72.99322	31.1
89.02416	45.5
101.02439	10.9
113.02448	7.6
119.03567	7.8
121.02943	57.5
121.09338	6.5
121.83094	5.9
179.05563	9.9
194.57475	6.4
215.00212	6.7
220.08832	6.9
341.10913	37.9
395.48724	6.1
401.08765	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	2.1
57.03453	34.7
59.01383	82.9
69.85040	1.3
71.01379	52.4
73.02963	7.5
81.33083	1.5
83.01412	4.1
83.05066	2.0
85.02953	19.2
86.18983	1.6
87.00903	3.4
89.02450	37.9
95.01394	2.6
95.05049	3.0
99.00907	2.7
101.02443	18.3
105.69379	1.9
112.79397	1.6
113.02452	21.0
119.03524	13.4
123.04551	2.6
123.08147	19.7
131.04887	1.6
135.04527	20.7
135.08179	3.2
148.05307	4.2
151.07651	45.6
159.03008	2.1
160.08929	3.0
161.04559	11.0
161.09717	18.2
163.07655	33.7
165.09219	11.3
168.07994	2.9
173.09715	2.8
177.09183	12.7
179.05614	4.1
179.10803	35.1
187.07684	1.9
188.08459	19.2
194.37016	1.7
195.10130	1.8
203.10796	89.9
206.67914	1.6
221.11858	100.0
271.09610	1.8
341.11124	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	401.1821
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
52.02280	1.0
53.97141	0.9
54.24349	0.9
55.01900	2.0
57.03456	18.2
58.00595	2.0
59.01386	100.0
60.88100	1.2
61.98847	1.7
71.01382	38.1
72.99332	1.5
73.02952	1.5
83.01423	1.6
83.09583	1.0
85.02946	9.0
87.00942	1.1
89.02441	38.2
95.01373	1.9
101.02447	18.4
109.02972	1.6
113.02471	12.1
119.03539	11.4
136.01654	6.6
137.06230	1.4
143.03539	1.3
145.69342	1.2
149.09770	1.6
151.04013	15.5
151.07640	1.5
175.11253	15.9
177.12840	22.9
179.05661	4.7
194.24287	1.3
221.11700	1.7
329.14142	1.7
341.11032	22.7
357.13651	1.4
359.14929	5.5
360.15454	1.3
395.18893	1.2
401.18250	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	4.0
58.82898	0.8
59.01384	100.0
67.40554	0.7
68.15938	0.7
71.01380	17.9
72.99287	1.0
73.02951	1.1
83.01406	0.7
85.02957	2.9
86.95245	0.8
89.02435	18.9
89.02920	1.0
96.96022	1.2
101.02438	9.4
113.02450	7.1
116.92844	1.0
119.03506	5.1
121.02975	1.6
135.04536	1.7
143.03526	1.1
145.02968	1.4
146.03731	19.4
151.07642	1.3
161.04573	3.3
161.06076	4.6
161.09712	1.1
163.07620	0.9
164.04790	22.2
165.09204	1.0
178.06366	3.7
179.05646	5.0
179.07123	39.8
179.10649	1.0
188.08492	1.1
193.08707	3.3
203.10814	5.1
221.11809	4.1
239.09146	5.9
241.05121	3.5
256.07492	1.4
257.96005	0.8
264.20456	0.9
271.09708	1.6
341.10898	17.6
401.14392	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12387	0.8
55.01899	1.5
57.03461	11.8
58.00619	0.8
59.01390	100.0
60.69615	0.8
61.98836	1.1
71.01386	28.7
71.48093	0.9
73.02974	1.9
83.01389	1.0
83.05047	1.0
85.02947	9.6
87.00872	1.5
89.02440	27.5
89.02935	1.5
89.48043	0.8
96.96002	7.1
101.02447	12.3
113.02446	11.0
116.92832	1.0
119.03483	7.6
119.04953	0.9
123.04509	4.1
123.08186	4.8
135.04515	7.5
139.07675	1.1
143.03500	1.7
144.67287	0.9
145.02942	1.1
146.03734	15.6
148.05347	1.0
151.07637	15.1
151.11214	1.2
161.04556	4.4
161.06052	1.9
161.09721	8.8
163.07657	9.9
164.04808	16.6
165.09244	4.3
173.09837	1.5
175.68944	0.8
177.09198	4.1
178.02716	1.0
178.06261	0.9
179.05598	7.3
179.07115	31.6
179.10704	7.0
188.08385	7.5
203.10788	32.4
221.11841	36.4
231.08739	1.0
241.05028	1.4
261.66470	1.0
341.10886	21.1
346.89703	1.0
401.14279	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	400.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72840	88.5
53.14292	76.1
59.01406	83.7
65.94021	77.2
85.60668	87.1
92.43990	88.1
95.46788	88.3
160.16553	77.4
213.02835	88.7
240.70689	97.5
257.40378	96.6
306.21170	100.0
309.95511	92.6
341.98022	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61173	0.9
53.33863	0.9
57.03437	1.1
58.00621	1.0
59.01382	94.5
59.61080	1.1
65.06105	0.9
66.42543	0.9
68.47213	0.9
69.30225	1.0
71.01376	62.9
72.99321	1.4
73.02927	1.5
81.71906	1.0
83.01390	1.8
85.02929	8.6
87.00873	1.5
89.02439	83.4
95.01375	4.3
101.02434	26.3
104.65318	1.0
113.02449	23.5
119.03506	23.3
131.03514	1.5
136.96228	1.1
143.03474	2.6
149.04570	1.9
161.04550	4.6
179.05629	24.4
191.05568	2.0
206.27576	1.2
239.80476	1.4
338.65332	1.3
341.10919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49524	0.4
56.86448	0.4
59.01385	100.0
71.01382	5.0
79.25211	0.5
81.12691	0.5
84.34041	0.5
85.02949	1.2
87.00877	4.9
89.02435	6.9
91.01814	0.5
92.10102	1.1
101.02431	3.2
112.36355	0.5
113.02451	2.7
119.03490	2.3
135.04456	0.6
146.03751	31.8
151.07634	0.9
161.06093	9.8
164.04799	19.6
177.09203	0.7
179.05811	2.4
179.07141	49.9
203.13206	0.6
267.94244	0.7
298.92865	0.6
341.10931	7.5
401.14603	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	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60994	0.7
59.01385	100.0
62.30144	0.8
63.71955	0.8
68.09579	1.0
71.01379	8.8
75.00882	2.1
82.24758	0.8
85.02982	1.2
89.02458	9.7
100.47600	0.8
101.02450	4.4
113.02485	3.3
119.03484	1.6
119.05039	5.3
146.03763	23.7
152.20660	0.9
161.06091	7.4
163.04031	5.1
164.04787	16.4
179.05692	3.7
179.07138	46.2
341.11002	11.4
409.93719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95172	2.6
59.01381	6.3
63.77430	2.1
66.46422	2.3
71.01388	33.4
72.99332	11.9
92.10080	4.8
99.92596	2.4
102.06847	2.4
115.00395	19.8
116.92857	14.3
133.01451	6.4
167.10791	3.5
199.39679	2.8
209.11884	5.3
221.19000	3.6
237.18542	2.5
265.18198	18.8
283.19168	100.0
337.20215	2.4
355.22769	4.4
381.19397	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	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99825	0.6
52.17445	0.7
53.25265	0.8
59.01392	100.0
66.79691	0.7
72.29120	0.9
78.41927	0.7
78.53649	0.7
81.84815	0.8
117.74004	0.8
119.00810	0.9
167.10759	1.2
265.18036	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	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.44970	0.9
61.98833	2.1
64.39397	0.9
76.60239	1.1
87.91048	1.2
92.48621	1.0
108.19867	1.1
127.07668	1.4
139.07596	1.8
211.77806	1.0
212.43401	1.2
252.13779	1.9
264.36407	1.1
299.23431	1.1
359.89874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48507	18.6
59.01387	100.0
64.33834	25.6
76.56942	38.6
134.80972	24.6
167.89154	29.1
170.82526	29.1
177.46260	24.4
289.04111	32.3
331.96445	32.6
356.51486	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82844	1.9
56.29169	1.4
59.01378	2.7
59.42930	1.3
61.98839	2.1
70.35864	1.5
80.32726	1.5
85.60396	1.6
102.97166	1.7
104.93990	1.5
123.92276	1.6
126.37041	1.8
127.07657	10.2
135.59427	1.6
143.30960	1.5
145.08725	12.0
154.11772	1.6
225.22266	7.3
271.22815	100.0
281.25775	1.7
343.65244	1.9
399.30814	32.4
399.35199	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	400.148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32407	4.0
65.56008	3.7
71.68777	4.1
75.21394	4.2
85.87801	4.7
86.67851	4.2
99.92578	100.0
115.92059	34.4
116.92851	20.7
118.89956	76.9
135.90256	25.4
152.78812	4.5
364.17206	19.1
400.14856	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32580	0.2
54.84246	0.2
56.11752	0.2
57.96164	0.2
58.43064	0.2
59.01384	1.2
61.98832	100.0
69.59727	0.3
73.16805	0.2
78.69924	0.2
89.02438	0.3
89.98805	0.3
124.56186	0.3
125.14184	0.3
132.24284	0.3
142.83783	0.3
186.17555	0.3
276.23862	0.3
310.44385	0.3
333.08691	0.3
415.89755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32595	0.1
53.68913	0.2
57.37420	0.1
59.01386	1.0
60.01720	0.2
61.98833	100.0
92.10713	0.2
128.77623	0.2
137.35889	0.2
144.42738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49544	9.5
59.01411	18.3
61.98840	23.3
66.65778	12.0
82.95437	62.0
84.00921	100.0
105.01966	14.0
141.57469	11.1
162.91618	11.7
221.12730	13.1
313.14368	48.4
360.30386	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	399.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86860	1.0
55.01884	8.9
57.03453	33.1
59.01381	11.3
61.98837	2.6
65.35140	1.4
67.01895	2.1
67.07494	1.3
71.01386	12.6
72.99319	7.2
73.02950	4.5
83.01385	15.7
83.42998	1.3
84.02212	2.1
85.02950	100.0
89.03980	1.6
92.10115	1.5
94.39221	1.3
95.71276	1.3
96.96017	1.7
101.02474	6.2
111.00880	30.9
117.67214	1.1
119.05030	6.3
129.01930	32.8
134.03746	21.9
149.06131	2.2
161.04565	1.4
163.04019	1.8
177.01929	63.9
193.05034	10.5
205.03557	21.5
223.04637	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	399.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99015	0.9
59.01392	68.7
61.98566	0.8
61.98833	7.6
78.95904	14.5
92.10161	1.9
96.96961	27.5
116.92880	1.0
117.03461	8.0
121.02962	9.4
123.04502	2.1
123.30935	0.9
133.02956	1.3
145.02965	16.5
152.99617	1.4
161.04712	1.0
162.03267	4.5
177.05583	100.0
179.10779	1.8
262.18414	1.0
274.52621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21857	0.2
59.01387	0.8
61.98850	0.6
62.14818	0.1
71.01366	0.2
75.09253	0.2
75.13316	0.1
78.95911	47.0
96.96967	100.0
100.06647	0.2
103.73943	0.1
115.01799	0.2
119.48322	0.1
152.99580	0.3
168.99034	0.8
173.06062	0.8
185.11824	0.4
201.05595	1.6
283.15558	0.4
301.16458	0.3
327.35883	0.2
363.08850	0.2
398.34436	0.2
399.14313	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18071	1.4
55.01884	1.8
56.31819	1.3
59.01379	23.4
59.01612	1.5
67.18394	1.4
71.01373	33.3
71.01716	1.8
72.99339	1.7
73.02965	7.8
83.01423	3.1
85.02950	20.5
89.02467	8.8
99.00889	2.2
101.02425	15.7
111.00875	3.7
113.02436	14.1
118.75935	1.6
119.03526	2.3
121.06609	11.2
129.01907	1.7
137.09717	100.0
147.06798	1.6
150.55450	1.8
161.04588	12.3
193.12364	1.8
205.03526	2.8
225.83560	1.6
263.81775	1.7
399.16583	6.7
420.35269	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	397.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11275	0.2
58.08452	0.2
59.01383	100.0
68.88390	0.2
84.74619	0.2
164.81136	0.3
183.50893	0.2
191.25150	0.2
195.87741	0.3
227.14499	0.3
239.92520	0.2
245.15404	1.7
263.16476	0.3
332.78510	0.3
350.53964	0.2
352.65338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69387	4.4
55.44799	5.8
56.30229	4.6
59.01382	32.4
61.98828	51.3
62.02705	4.9
68.95896	5.4
96.96043	12.7
97.02943	5.4
99.81898	5.8
117.03485	24.8
130.23607	5.3
152.99518	6.3
162.97748	5.9
361.07257	100.0
363.87216	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	397.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12910	12.1
59.01391	100.0
61.98829	24.6
68.09969	15.5
94.84669	14.2
108.86055	15.4
124.70325	19.0
157.81136	20.0
160.80582	17.3
246.77425	15.2
383.92529	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	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82523	52.8
56.12007	49.6
58.05359	52.0
59.01391	100.0
68.67089	68.5
71.88172	60.4
84.62105	68.7
85.96497	58.6
110.00190	72.0
112.33031	60.1
126.52759	65.0
133.99127	61.5
183.54915	63.7
287.55154	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04410	1.1
59.01400	7.2
61.98839	50.8
62.98550	1.4
68.57748	1.0
78.95930	2.9
106.17819	1.1
121.02921	2.1
122.03744	1.8
123.04472	1.2
135.04532	22.8
137.02461	1.3
145.02916	1.8
147.04520	1.3
149.06111	5.2
151.04031	2.3
152.99556	2.0
158.83414	1.2
161.06084	7.2
163.04051	5.1
164.04750	1.5
167.07159	1.9
179.03563	1.4
179.07176	7.1
180.07928	54.4
182.05869	2.6
190.06355	1.6
191.07094	1.6
192.07957	8.4
193.08751	4.9
194.05852	8.9
195.06644	8.9
209.08299	2.0
212.06822	9.3
226.08563	2.7
245.31923	1.5
297.11411	2.1
313.10886	6.3
316.13126	5.3
316.41290	1.2
328.13062	10.8
331.15576	17.9
343.15604	12.9
361.16602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93680	0.2
52.32818	0.2
52.35700	0.2
53.63945	0.2
55.87725	0.2
59.01392	100.0
61.75683	0.2
62.20538	0.2
71.01400	0.2
127.68934	0.2
129.39417	0.2
130.47432	0.2
219.17418	0.3
245.15469	2.1
263.16626	0.3
356.10718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82737	0.5
55.01910	0.6
57.03466	3.8
59.01404	3.4
67.01910	4.3
71.01396	1.2
72.99329	2.5
73.02961	3.4
77.32191	0.5
81.03481	2.6
83.01385	0.6
85.02958	25.8
85.03454	0.9
87.00879	27.1
87.12866	0.6
87.83698	0.6
88.98826	1.2
93.03495	2.6
99.00893	2.9
99.04519	0.9
101.02484	0.8
111.00883	100.0
112.98837	2.6
125.02431	4.9
127.03998	4.6
142.99953	0.9
143.03522	6.9
161.04648	0.8
170.75162	0.6
173.00914	7.2
173.04570	2.3
175.17868	0.6
178.87717	0.6
191.05626	97.1
205.03555	31.0
205.06677	0.6
410.85251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45498	0.4
54.83011	0.4
57.11751	0.5
58.61762	0.4
59.01384	2.6
59.82542	0.3
65.90576	0.4
72.73336	0.4
78.95903	6.7
79.95736	2.5
84.35846	0.5
96.96007	100.0
96.96914	10.7
109.13838	0.4
121.12632	0.4
123.04511	2.2
153.05585	3.0
195.89708	0.5
217.00230	0.5
238.34698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10466	0.7
53.98074	0.8
57.03455	1.9
59.01379	12.3
60.99311	16.8
61.98845	1.8
63.25256	0.9
67.19498	1.1
71.01385	4.0
71.23755	0.8
71.34256	1.0
79.58704	1.1
81.37461	0.9
88.98800	100.0
89.02467	4.7
92.10778	2.4
96.96003	16.3
96.96966	1.4
99.04521	1.7
101.02470	1.9
104.14613	1.0
106.67178	1.1
116.92848	8.6
117.09065	1.0
159.68275	1.1
163.06142	1.6
179.05670	1.5
229.38776	1.2
307.10410	3.8
337.14902	1.7
397.07095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73114	0.3
55.01889	0.6
57.03460	5.7
59.01370	2.8
67.01891	4.3
71.01376	3.1
72.99308	1.8
73.02958	2.5
81.03471	1.5
83.01398	0.7
84.02186	0.9
85.02953	22.3
87.00875	22.4
87.86579	0.4
87.98318	0.3
88.98808	0.8
93.03461	1.9
99.00893	1.8
99.04532	1.7
101.02414	0.6
109.02962	0.5
111.00887	100.0
112.98805	3.0
115.04018	0.6
117.01919	1.6
125.02451	2.2
127.04008	3.3
128.85059	0.3
129.01936	0.9
142.99883	0.7
143.03513	6.2
145.01445	0.6
147.52133	0.4
154.99944	0.5
173.00946	8.5
173.04561	2.6
191.05630	76.0
205.03566	25.3
252.04436	0.4
383.39694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96056	0.8
55.08437	0.8
56.41533	0.9
57.55832	0.9
80.91567	1.1
85.57584	1.0
114.63027	0.9
115.58919	0.9
122.48520	0.9
123.08147	1.6
141.09221	100.0
155.45607	1.1
209.15216	1.1
227.14796	1.0
253.21796	2.0
271.22800	32.4
395.31625	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	396.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83551	1.0
61.32470	1.1
74.80067	1.2
99.92580	71.8
101.63474	1.2
115.92074	14.6
116.92867	13.1
118.89973	100.0
134.89490	7.0
135.90253	19.8
141.93642	1.4
150.88940	4.7
153.81892	1.3
200.71097	1.5
277.21887	5.4
278.22110	2.4
280.24261	1.8
360.13885	9.8
396.11688	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25297	0.8
59.01396	1.3
59.81516	0.6
61.98832	100.0
62.03974	0.8
76.93584	0.8
79.07537	0.8
82.95422	9.2
83.91794	0.8
84.00909	15.2
89.85629	0.8
96.78185	0.8
105.41351	0.7
195.13834	1.1
293.21411	0.9
311.22333	8.2
326.47202	1.0
333.20547	1.2
396.20154	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	395.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44646	19.7
54.82362	19.7
56.05701	16.3
59.01392	100.0
59.03995	19.4
60.82279	19.6
61.98839	40.1
66.48751	17.7
76.95522	21.4
86.46460	19.3
90.44154	16.7
100.64602	20.0
106.59371	20.1
207.16922	21.4
233.01775	23.7
242.15974	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	395.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98838	22.8
105.37556	18.7
115.45031	19.6
133.36966	19.4
134.35397	16.9
143.04980	20.2
173.06134	32.4
191.07101	20.2
211.13547	26.6
359.15201	38.0
416.09552	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	395.221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32062	9.4
59.01389	100.0
61.98846	21.5
88.89746	9.8
149.06244	11.8
171.77501	10.7
221.28712	11.7
245.08171	12.4
297.93332	11.6
356.75931	11.4
359.15167	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	395.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06586	1.6
56.26840	1.5
59.01389	10.2
61.98829	100.0
64.24992	2.1
76.57390	1.7
83.37586	1.5
95.63383	1.8
109.80661	1.5
140.40378	1.5
145.72325	1.4
182.01538	1.9
183.13925	1.7
211.13330	2.3
218.73102	2.0
235.07085	1.8
355.41599	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	395.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14092	51.8
56.62006	41.6
59.01391	100.0
59.43330	38.1
61.20774	47.2
61.98840	71.2
62.06031	40.5
63.05959	43.8
65.33422	37.5
70.79356	47.2
78.33242	44.2
85.06604	63.7
92.10728	51.7
92.65517	44.1
99.53893	52.8
133.71808	49.4
297.15378	65.7
321.03329	56.5
336.25229	57.4
359.13113	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54000	0.4
56.33186	0.4
59.01376	4.4
61.98837	1.9
69.79896	0.5
80.91681	12.5
85.85793	0.5
86.11814	0.5
89.06190	0.5
89.67930	0.5
92.10742	1.0
108.02184	2.7
120.34473	0.4
121.02939	3.6
121.06552	0.6
122.03735	16.4
122.04606	0.6
123.04526	5.1
128.67053	0.5
136.05283	7.2
137.02432	2.4
148.05290	3.4
149.06094	7.0
154.02721	3.1
162.06897	2.1
164.04922	3.5
168.04272	0.6
169.84595	0.5
174.06908	1.1
175.07657	8.3
175.09058	0.8
176.08406	4.1
177.09225	10.1
190.06419	4.1
208.07341	0.9
265.04852	2.0
281.11792	0.8
311.22025	0.6
313.14505	100.0
314.14850	0.9
320.10162	2.8
335.12747	8.9
395.13528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29612	0.7
50.58224	0.7
57.48992	0.8
59.30959	0.8
59.62762	0.7
60.15616	0.8
61.98824	1.2
64.57952	0.8
71.24319	0.8
97.63334	0.9
99.00916	1.0
99.92598	3.5
100.93346	7.9
115.92083	100.0
116.92866	1.1
117.81803	1.2
126.29433	0.8
156.03172	0.9
164.59341	0.9
172.54770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98835	28.7
71.08838	19.6
71.15813	17.1
79.77128	14.6
175.26440	18.1
217.02089	21.0
234.36055	18.2
265.95172	17.2
285.62027	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	393.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16476	68.4
60.69016	71.4
68.92773	77.3
87.08334	85.5
113.97196	81.0
175.43367	74.7
318.66071	84.3
343.04053	100.0
358.91034	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22704	0.3
61.98833	100.0
68.58835	0.3
113.87263	0.4
168.90765	0.3
178.67149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99137	1.7
58.19169	1.9
59.01385	54.2
61.98835	5.8
71.01379	45.9
81.00861	2.2
85.02950	3.4
85.06594	25.2
88.04053	5.3
89.02437	19.7
101.01170	2.1
101.02451	12.9
104.38691	2.3
113.02459	10.5
113.06105	3.4
113.62524	2.8
119.03493	4.0
124.25249	2.5
160.09796	62.2
166.02385	2.3
322.14984	3.7
343.51559	2.4
376.15845	3.8
394.17239	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	394.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82339	0.8
59.51621	0.6
61.98832	100.0
62.97681	0.6
82.95412	5.1
84.00912	9.4
97.02963	0.9
123.09334	0.8
186.32487	0.7
262.11966	1.6
291.19699	1.0
294.21545	2.8
309.20795	6.0
312.22726	0.9
314.96661	0.8
331.18997	1.1
334.20676	2.8
394.18549	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48329	1.8
59.01395	4.3
60.20942	1.9
61.98834	100.0
64.80784	2.1
67.30158	1.9
72.26266	2.2
84.00931	4.0
92.13639	1.8
92.71424	2.0
100.17965	1.9
111.92692	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.62645	7.1
61.98846	32.8
71.01419	10.9
82.44509	7.9
88.93866	8.3
89.02486	10.8
96.95988	8.5
101.02448	10.0
111.54813	8.4
123.42216	8.9
151.99384	8.5
164.07819	8.1
176.04663	11.0
304.59787	9.5
335.17126	16.5
359.13474	15.5
395.11191	13.4
399.13779	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	395.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.62645	7.1
61.98846	32.8
71.01419	10.9
82.44509	7.9
88.93866	8.3
89.02486	10.8
96.95988	8.5
101.02448	10.0
111.54813	8.4
123.42216	8.9
151.99384	8.5
164.07819	8.1
176.04663	11.0
304.59787	9.5
335.17126	16.5
359.13474	15.5
395.11191	13.4
399.13779	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	395.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98840	49.8
63.29482	7.2
71.01376	20.0
85.02974	12.2
89.02479	8.5
96.96012	50.1
163.03883	11.3
164.04834	30.9
179.07106	35.0
258.63245	8.4
329.94772	8.2
334.45541	10.2
335.17282	15.0
370.95245	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99297	0.5
58.17304	0.5
59.01383	100.0
61.98838	0.6
65.94179	0.4
78.95910	0.8
80.02667	0.7
81.03465	0.6
82.34507	0.5
83.05025	2.3
87.24689	0.4
91.02699	0.5
97.55921	0.4
152.99576	2.0
163.11243	2.2
165.12840	1.0
169.52368	0.6
180.37569	0.6
181.12308	0.5
194.08224	2.2
209.11856	99.6
227.12885	4.3
408.00198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.7
59.21012	0.4
80.91675	12.4
84.02188	0.6
97.02966	2.9
99.08148	1.2
103.43322	0.5
115.07635	0.9
127.07646	16.3
128.08411	0.9
129.09273	0.7
165.12823	1.3
167.14397	3.7
181.12393	4.0
183.13889	5.8
195.13884	8.8
201.09027	1.0
203.10593	4.3
205.12027	0.7
213.14915	0.9
217.08469	0.9
219.10081	0.9
221.11577	2.4
223.13161	16.6
233.08017	1.2
233.11601	10.3
235.09525	2.8
237.11118	2.6
262.11914	10.4
265.10629	2.6
267.12146	12.4
285.17923	0.6
293.21255	5.9
303.19446	2.9
305.21198	1.8
311.22327	38.4
315.19473	3.5
331.17795	0.7
333.20535	100.0
334.20947	1.0
351.20398	1.2
393.22079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01848	1.1
56.38211	1.2
57.03466	2.3
59.01386	27.4
80.91668	10.3
82.17995	1.4
99.08186	2.4
110.86507	1.3
113.09729	13.6
129.09227	7.8
147.11774	4.8
151.11308	3.1
165.12875	5.8
169.12334	4.9
181.12366	7.9
183.13882	1.8
197.11870	14.2
199.13452	2.6
211.13380	25.5
215.10519	6.7
219.10022	24.6
233.11609	41.8
249.92610	1.3
280.54794	1.4
293.12430	1.6
293.21280	14.5
311.22330	100.0
315.19363	2.8
333.20502	24.1
377.19366	6.8
393.22455	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	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90598	1.3
59.01382	16.8
61.98842	1.8
75.40701	1.4
78.95911	7.8
80.91695	11.9
85.12399	1.4
86.31043	1.6
89.37778	1.3
94.40578	1.4
106.79865	1.7
127.11283	2.3
128.94765	1.5
141.09250	9.3
152.99596	9.8
153.12871	2.2
167.10719	2.3
169.12379	7.6
181.12268	13.2
203.83139	1.6
209.11636	10.7
219.10052	9.0
223.09534	2.2
248.10262	7.1
253.10550	9.1
265.21762	3.2
285.05701	1.5
293.21216	9.0
305.20853	1.7
311.12891	10.5
311.22311	69.7
333.20520	100.0
365.18124	2.2
394.81653	1.6
416.07260	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	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70237	1.4
52.17149	1.2
56.91250	1.7
57.03471	1.5
59.01386	33.4
61.98840	2.0
63.40027	1.3
67.48318	1.3
77.76086	1.3
79.04851	1.3
80.91695	3.2
82.95420	3.5
91.33313	1.5
92.02174	1.6
99.08156	1.6
113.09723	3.0
129.09230	2.9
139.11282	8.1
147.11827	7.1
165.12813	6.2
169.12347	2.1
171.10286	11.5
181.12337	2.3
192.11305	1.9
193.08482	6.6
193.12302	3.2
197.11865	11.8
199.13478	5.8
211.13412	18.5
215.10550	7.9
217.18376	1.6
233.11594	57.6
251.11436	2.0
268.74097	1.6
293.21231	19.5
307.19061	1.9
311.22345	100.0
333.20517	6.8
393.22653	20.6
395.84509	1.7
405.67456	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	393.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	12.9
61.98839	14.4
64.34893	1.0
67.90437	1.1
71.05041	1.5
80.91680	11.2
80.96605	1.1
82.95422	56.7
85.10326	1.1
86.40141	1.3
86.94705	1.0
92.66232	1.3
97.02954	5.1
122.72691	1.0
125.09724	2.3
139.11310	2.2
158.16238	1.1
163.11285	7.0
167.10855	1.4
168.11575	2.6
169.32492	1.1
169.98030	1.2
171.10229	1.6
171.83243	1.1
202.95461	1.1
211.18364	1.1
219.10011	1.1
233.11600	1.5
244.10803	2.2
248.10341	7.2
249.22250	5.0
262.11554	1.6
263.12207	1.5
264.12433	2.2
293.17853	1.9
293.21240	70.2
311.22305	53.7
315.19470	9.3
333.20544	100.0
334.21210	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24847	91.0
63.40871	94.7
63.95966	72.0
68.19146	74.7
68.59337	84.6
73.60046	70.7
80.11511	91.9
80.97182	94.6
81.54203	82.8
92.88550	100.0
100.90824	95.9
333.24551	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98193	0.4
52.10557	0.4
52.21732	0.4
55.01889	2.1
57.03460	1.2
58.00605	2.6
59.01383	100.0
61.98805	0.5
69.03466	1.0
71.01380	46.0
72.99301	4.4
73.02940	23.8
75.78223	0.6
83.01390	5.2
85.02952	18.4
86.00099	1.3
87.00873	9.2
87.04541	3.5
89.02440	40.8
95.01407	2.1
97.02975	1.0
99.00899	0.5
101.02444	35.9
103.04006	9.7
113.02447	11.7
115.03998	7.1
119.03494	14.9
125.02418	1.9
131.03517	10.6
143.03503	9.7
145.05035	4.7
161.04503	0.7
163.06142	23.4
169.39178	0.6
179.05644	3.7
191.36049	0.6
205.07217	17.1
265.09299	1.1
299.16000	0.6
393.17889	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	393.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	91.3
60.39198	12.1
61.98841	70.5
71.01389	19.0
84.30061	14.2
89.02448	22.2
101.02451	14.4
103.52966	16.3
111.20081	14.6
120.81592	13.8
127.82111	13.5
130.27708	13.1
140.49973	13.8
181.07175	100.0
207.50990	18.3
211.13620	16.7
245.13577	16.3
360.38965	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	392.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13789	0.9
59.01390	10.6
59.95628	1.1
61.98815	1.9
70.02981	1.8
71.01411	2.1
74.02468	33.5
74.02853	1.7
75.52718	1.0
82.03017	2.3
83.01450	1.4
83.02511	1.6
89.02446	1.5
91.05558	1.9
98.02474	100.0
100.00424	2.6
101.02424	1.8
110.02574	1.5
112.04070	1.7
118.05103	5.1
125.03527	1.6
128.47586	1.1
143.03607	1.3
143.04639	1.8
158.06122	2.0
160.01662	4.5
160.07626	10.9
161.01994	1.5
175.04034	4.8
176.04333	5.5
184.07634	1.9
198.09126	1.5
202.08739	5.0
204.06654	13.6
214.08856	1.1
215.08205	1.4
228.06673	11.9
241.09877	4.8
246.07559	1.7
252.39355	1.4
291.09912	7.4
293.04761	2.0
303.09869	25.4
311.05560	1.4
347.12619	10.5
348.12198	11.5
390.09048	1.2
392.14536	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	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16918	0.2
61.98833	100.0
62.20347	0.2
70.67619	0.2
98.66983	0.2
125.22731	0.2
152.02025	0.2
165.00452	0.2
167.49031	0.2
177.98598	0.3
260.69977	0.2
298.04306	0.4
392.08704	0.3
392.18491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46421	0.9
59.01382	100.0
60.06876	0.9
61.98832	51.6
71.62157	0.9
82.95435	4.2
84.00896	1.5
91.67064	1.1
95.31681	1.0
136.85527	1.3
159.77925	1.0
248.28398	1.2
342.02969	1.1
367.58035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1328
Annotation	Durallone
Peak:m/z	Relative Intensity
56.31248	4.8
59.01390	86.9
71.01414	5.7
73.64129	5.7
85.40614	5.7
104.25815	6.1
148.32251	6.1
150.03224	43.3
162.67560	5.6
165.05545	27.8
195.06587	12.1
333.15494	10.8
393.13232	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	393.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92564	0.5
58.93632	0.5
59.01385	1.5
62.97955	0.5
70.27496	0.8
72.14825	0.6
75.21939	0.6
83.28203	0.7
90.03373	0.7
95.28456	0.6
99.00939	0.7
99.92576	2.9
100.93356	8.7
115.27521	0.6
115.92075	100.0
116.92084	0.7
116.92854	1.2
119.36268	0.7
130.40565	0.6
139.24295	0.6
174.20404	0.6
231.67062	0.7
280.96231	0.6
293.21243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2495
Annotation	Xenimanadin A
Peak:m/z	Relative Intensity
56.90759	0.8
59.01385	17.2
60.65673	0.9
61.22337	1.2
63.74208	1.0
63.95369	0.9
79.64560	1.0
92.64764	1.0
93.03446	25.5
95.01399	2.2
108.02172	1.9
112.50967	1.1
125.26475	1.0
127.90156	1.0
136.01665	5.2
137.02444	36.9
167.59940	1.2
190.45461	1.0
200.46646	1.2
203.59207	1.0
210.66736	1.3
225.22241	2.7
236.46684	1.0
243.57709	1.2
252.08710	1.0
255.23363	2.0
257.35602	1.2
271.22821	100.0
272.23178	1.6
373.23965	11.2
391.24939	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42519	3.6
59.01387	100.0
92.10843	14.5
101.64925	3.7
111.69581	3.8
185.23239	3.9
215.91710	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	392.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	15.7
61.98838	100.0
71.01400	1.6
89.02454	1.7
93.65122	0.9
119.03490	0.9
124.07684	3.8
136.67665	0.8
152.07182	37.7
163.54904	0.9
202.74019	0.7
227.40593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82903	0.1
56.08529	0.2
59.01395	0.2
59.56247	0.1
61.98833	100.0
62.98530	0.2
63.99252	1.6
64.34795	0.1
74.66534	0.2
88.42732	0.2
277.51950	0.2
284.03262	0.7
285.03552	0.8
313.94760	0.2
329.14029	2.2
392.08594	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	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58240	1.1
59.01387	27.0
59.01664	2.0
61.98838	1.5
68.12522	1.1
68.88714	1.0
71.01409	1.8
80.71738	1.2
80.91686	12.5
82.87982	1.2
85.52525	1.2
92.10214	1.6
97.02960	2.0
111.08183	5.3
139.07648	8.7
151.11278	1.6
153.12891	2.3
167.10759	2.4
169.12358	2.7
181.12302	2.3
193.12186	1.3
197.11879	2.5
207.10037	1.9
209.11589	11.1
219.10091	11.5
219.17615	1.3
221.11676	2.8
223.09561	1.6
247.20706	1.8
248.10249	8.1
249.11024	4.9
251.08847	1.6
253.10718	8.5
263.20084	1.3
273.18762	2.1
291.19742	15.6
294.09741	1.5
295.16647	1.3
301.17841	1.9
303.19360	5.1
309.20740	45.4
331.18933	100.0
363.16522	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	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	11.2
59.01386	100.0
61.98859	6.8
69.23601	4.9
74.74709	4.5
79.51118	4.7
80.91678	6.6
95.05009	6.0
109.03045	6.3
111.58487	5.1
113.09736	7.7
113.54832	5.2
126.42894	5.7
127.68111	5.4
129.94193	5.5
131.12082	6.0
149.09750	22.9
151.11330	13.8
163.11272	7.4
165.12738	8.1
179.98982	6.5
181.12378	24.7
182.47084	6.4
187.50256	6.1
191.10814	6.2
209.11801	57.3
215.18185	7.1
217.08499	87.7
231.10048	9.3
233.11566	32.6
287.19867	9.1
317.17334	6.4
331.18994	44.7
408.51352	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	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.2
56.94230	2.7
57.03456	3.3
59.01388	65.8
61.98829	5.2
75.36749	2.5
76.06141	2.4
80.02675	3.1
80.91705	17.8
81.03460	3.7
83.01391	14.5
83.05031	4.7
92.10843	5.6
97.06559	4.1
109.73033	2.7
123.04568	3.5
123.08163	5.0
125.09724	20.5
139.11295	20.2
151.11313	3.3
151.35223	2.7
163.11310	18.2
165.12834	22.5
167.10773	5.8
168.11470	2.9
191.10777	3.9
193.16035	3.8
209.11858	88.3
231.10020	43.0
247.20731	13.9
273.18781	4.3
291.19687	100.0
309.20694	67.7
331.18915	18.8
350.59668	3.8
376.00809	3.3
391.21167	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	391.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51336	0.7
57.03459	1.5
59.01386	21.0
59.41101	0.8
61.98849	1.0
64.09716	0.8
73.67570	0.9
73.82817	0.9
80.91692	14.2
83.05005	1.3
93.03455	4.9
97.02961	1.7
107.05043	1.7
111.04524	1.4
123.48758	0.9
125.09744	3.6
126.02316	1.0
137.09729	1.8
160.00385	0.9
163.11313	5.8
165.12866	9.4
171.99280	0.9
176.21829	0.9
179.10698	1.6
179.14394	3.8
181.12315	4.5
193.08463	1.3
193.15994	1.1
197.11853	1.1
205.03510	1.4
207.10042	6.1
209.06854	0.8
209.11766	1.5
219.10028	3.9
223.13345	4.6
227.18138	1.2
231.09996	1.5
244.10796	3.8
245.19090	1.3
247.09506	3.5
247.20680	10.6
248.10306	6.4
262.11725	1.6
273.18610	1.4
291.19687	57.0
297.39767	0.8
303.19479	1.2
309.17133	1.3
309.20770	54.0
313.17914	24.2
331.18979	100.0
356.04895	0.9
391.21265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66199	0.9
52.96738	1.0
59.01385	25.3
60.24851	1.0
65.51624	1.2
80.91690	7.7
104.39304	1.5
111.08161	19.8
117.91348	1.1
119.08611	1.8
133.11493	1.2
147.11749	11.5
151.11314	1.5
153.12856	2.0
165.12845	8.5
169.12338	8.6
175.13162	1.4
181.12286	1.5
191.10864	1.5
193.56538	1.3
197.11839	76.1
199.13348	2.6
211.13367	7.6
215.10626	11.3
219.09964	5.1
226.21039	1.3
227.12862	1.7
233.11595	100.0
251.11197	1.8
263.19977	2.2
291.19727	10.5
293.12460	4.3
309.20740	43.4
331.18906	7.5
391.20975	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03488	1.9
58.00592	1.5
59.01391	40.3
61.25508	1.3
61.98841	10.8
69.03461	1.6
71.42432	1.5
72.61654	1.4
80.91692	14.7
92.10796	3.9
108.47567	1.5
109.06640	1.7
111.08173	37.9
127.07683	2.3
147.11827	2.3
148.95305	1.5
151.11287	10.3
153.12834	2.2
165.12779	10.9
169.12325	9.1
181.12265	2.3
183.13791	2.1
197.11855	100.0
199.13425	3.0
205.12349	1.6
211.13486	11.8
215.10527	2.5
217.08253	1.9
219.10069	78.5
225.00217	1.5
233.11623	38.7
249.13470	2.2
249.34840	1.6
251.11316	3.0
255.42023	1.7
263.20145	5.9
291.19662	17.4
293.12479	3.2
305.19550	2.9
309.20740	72.6
313.18042	6.0
314.82904	1.4
331.18970	32.5
391.20380	2.9
391.23502	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82085	22.1
59.01378	100.0
61.98840	98.2
63.88421	19.5
73.43553	19.2
78.95918	45.0
86.73530	18.1
91.13546	21.2
122.07465	21.2
211.13385	27.8
234.09001	24.1
267.27347	22.5
294.11096	89.6
355.24686	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.6
59.01382	100.0
61.98833	39.5
71.01374	85.5
72.99306	3.2
78.95946	2.8
85.02938	4.1
89.02442	76.2
96.96091	2.6
101.02439	22.9
108.28601	2.6
113.02446	18.0
119.03535	5.5
170.74120	2.9
179.05568	10.8
211.13412	37.0
244.72429	3.1
391.17389	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03455	37.6
58.97218	0.6
59.01384	100.0
59.54938	0.7
61.98828	1.0
68.89593	0.8
71.01380	20.7
73.02949	7.1
78.95897	1.2
83.01374	4.4
85.02953	10.8
89.02444	7.6
95.01373	3.1
99.00857	3.5
99.04530	20.2
101.02443	22.0
101.06063	1.0
113.02444	8.4
116.92922	1.3
119.03477	3.5
119.05051	4.0
121.02996	0.9
125.02431	8.0
134.03850	0.8
134.04703	6.6
143.03421	1.1
161.04555	6.1
163.04005	4.3
179.05696	0.9
187.30867	0.9
243.16113	1.8
245.13959	3.3
247.11833	5.5
251.03783	0.9
266.46225	0.8
287.14990	1.3
305.15952	1.5
347.16904	1.6
347.20782	3.2
347.39612	1.2
349.07309	1.0
391.19919	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03455	37.6
58.97218	0.6
59.01384	100.0
59.54938	0.7
61.98828	1.0
68.89593	0.8
71.01380	20.7
73.02949	7.1
78.95897	1.2
83.01374	4.4
85.02953	10.8
89.02444	7.6
95.01373	3.1
99.00857	3.5
99.04530	20.2
101.02443	22.0
101.06063	1.0
113.02444	8.4
116.92922	1.3
119.03477	3.5
119.05051	4.0
121.02996	0.9
125.02431	8.0
134.03850	0.8
134.04703	6.6
143.03421	1.1
161.04555	6.1
163.04005	4.3
179.05696	0.9
187.30867	0.9
243.16113	1.8
245.13959	3.3
247.11833	5.5
251.03783	0.9
266.46225	0.8
287.14990	1.3
305.15952	1.5
347.16904	1.6
347.20782	3.2
347.39612	1.2
349.07309	1.0
391.19919	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	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83198	0.6
57.03455	100.0
57.40259	0.6
58.00619	0.8
59.01386	81.4
59.53335	0.5
71.01379	18.6
71.50603	0.7
72.99325	0.9
73.02959	7.7
77.01207	0.6
78.94056	0.8
81.03464	2.6
83.01404	4.4
85.02964	5.3
87.00880	1.1
89.02438	23.5
93.52329	0.8
99.04514	50.4
101.02436	26.9
103.30279	0.8
113.02455	10.6
114.00760	0.6
119.03488	8.4
123.04501	1.6
125.02439	13.4
131.03534	0.8
143.03502	2.6
149.04597	1.1
161.04561	3.8
179.05646	5.0
247.11841	3.8
391.16144	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	391.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.0
57.03455	47.6
59.01385	100.0
61.98844	1.4
71.01379	16.4
73.02970	2.1
76.57576	0.9
78.95934	6.1
81.03460	1.6
83.01403	3.8
85.02961	9.3
89.02464	10.4
99.00925	1.2
99.04517	24.3
101.02437	18.2
113.02483	8.5
116.92909	1.3
119.03506	4.2
119.05029	4.5
125.02440	8.1
125.09683	1.6
134.04747	6.8
150.52882	1.2
155.37599	1.0
161.04576	4.9
163.04016	2.4
179.05693	1.2
183.13924	1.0
214.06314	1.4
243.15984	2.1
245.13966	4.1
247.11902	4.1
271.08301	7.7
287.14948	6.4
288.92258	1.3
305.16174	1.6
331.17609	1.4
338.33392	1.2
347.17093	4.9
347.20859	1.1
358.24469	1.2
391.12640	5.5
391.20142	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	391.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.7
61.98833	100.0
64.33832	5.6
65.00335	7.2
65.39176	5.6
67.44059	5.5
78.95890	53.2
85.83237	6.0
85.92663	5.4
88.98795	8.7
96.96967	9.2
122.58384	6.7
248.98677	7.7
294.11237	13.2
352.83771	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	391.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84600	4.3
59.01395	40.6
61.98835	100.0
65.00354	5.7
68.98992	4.5
86.43102	4.8
92.10777	15.8
96.95983	8.5
107.64727	5.6
119.05014	55.2
120.99371	6.5
121.02952	69.8
144.76723	5.1
145.02968	5.8
203.03497	6.3
243.03064	6.7
345.52728	5.4
391.08246	43.8
395.03162	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	391.1223
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
59.01384	2.8
61.98847	0.8
82.95428	1.6
84.10164	0.6
87.28474	0.7
99.92581	57.2
100.90406	1.5
100.93371	3.2
103.28495	0.6
113.02944	0.6
114.66528	0.7
115.92076	34.2
115.92908	1.1
116.05396	0.8
116.92858	100.0
124.53840	0.8
250.65814	0.7
291.19659	3.8
309.09503	1.6
322.05023	1.6
369.08011	0.8
373.11227	4.4
387.09067	1.6
390.68369	0.8
391.12262	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73450	1.1
54.73696	1.0
59.01380	23.3
59.01646	1.1
61.98833	4.0
63.14299	0.9
70.45377	1.1
71.01391	1.7
71.45183	0.9
85.02954	1.6
89.02446	1.9
93.03476	2.3
95.45634	0.9
97.21275	0.9
101.02454	0.8
108.02196	2.2
116.92790	1.1
121.02956	18.0
122.03743	10.6
123.04552	6.0
132.02159	1.4
133.02945	4.6
134.03758	2.0
135.04539	7.4
136.01659	1.4
136.05302	30.1
136.53889	1.0
137.06088	5.5
149.02455	34.2
149.06075	4.4
150.03230	100.0
151.04022	15.5
151.07719	2.2
162.03117	1.2
164.04803	9.4
165.05574	44.5
180.04329	2.3
181.04979	3.2
195.06657	44.1
217.00179	1.2
235.45190	1.0
241.08708	1.2
258.26282	0.9
269.08005	3.7
283.09784	9.6
284.10629	2.1
289.67737	1.0
299.09253	1.4
311.09363	9.3
316.09512	2.3
332.05228	1.1
343.11908	92.5
344.12180	1.4
391.14059	13.7
391.19266	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	391.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.1
59.06472	0.4
62.09066	0.5
65.03580	0.4
71.01385	0.5
73.02962	0.6
86.50280	0.5
93.03481	3.2
105.03458	0.7
108.02206	0.6
115.72979	0.5
119.05053	1.2
121.02969	7.5
121.25766	0.5
122.03741	13.3
123.04510	6.0
133.02954	2.4
134.03761	1.0
135.04544	4.6
136.01727	0.8
136.05304	12.7
137.02483	0.6
137.06110	0.7
141.38513	0.5
144.91739	0.5
149.02449	23.6
149.06096	0.7
150.03233	100.0
151.04019	13.5
151.07657	0.7
159.15236	0.6
159.91626	0.6
164.04836	4.6
165.05573	81.4
166.05948	0.7
174.41385	0.6
180.04321	7.1
181.05074	5.9
193.99211	0.5
195.06648	44.8
246.12546	0.5
283.09927	1.0
311.09290	3.8
314.11844	0.7
314.88324	0.6
343.11926	15.0
361.25690	0.7
391.14069	10.6
391.19675	2.7
391.27066	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
72.49110	0.1
89.51105	0.1
92.10774	0.3
152.79515	0.1
159.89597	0.1
200.21294	0.1
205.52684	0.2
212.27510	0.1
213.63431	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	391.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21369	2.4
51.30441	2.1
55.15704	2.7
58.55881	2.2
59.01377	43.6
61.98832	26.3
63.39811	2.2
63.40152	2.5
67.38454	2.6
71.01377	11.8
72.99311	4.3
83.05007	3.3
85.02953	13.3
89.02437	5.0
93.03439	2.7
96.96012	62.7
101.02489	3.5
127.04022	3.4
132.87590	2.6
133.17159	2.9
134.03746	90.4
136.01683	6.2
137.02411	5.6
149.06087	31.1
151.03949	4.4
178.02725	35.1
191.05635	40.7
193.03305	4.1
193.05067	100.0
293.12439	3.6
304.55261	4.1
313.82288	3.6
342.46164	3.2
353.09088	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	391.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.8
61.63148	0.9
61.98847	1.8
73.32137	0.8
78.26537	0.8
78.95930	1.0
88.98807	1.0
111.04502	1.5
119.05004	15.3
121.02930	3.9
131.05107	1.2
135.04544	1.5
143.04999	5.8
145.02917	2.0
157.06612	3.5
159.03189	1.5
159.04520	46.6
161.02451	100.0
173.06039	1.3
177.05609	10.2
185.02429	5.2
185.05995	1.6
187.04013	2.2
201.05609	20.1
203.03516	32.1
219.01126	1.0
227.03474	3.3
229.05048	5.0
245.04555	14.3
290.11688	1.8
294.10959	1.1
330.52386	1.1
347.09286	2.1
391.08276	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0829
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
52.71760	1.6
53.24630	1.6
54.36151	1.6
59.01384	17.8
59.37245	1.6
59.96432	1.9
61.98843	2.7
65.78317	1.7
92.10684	3.6
93.03466	4.5
99.49949	2.0
106.20948	2.3
108.28828	2.0
109.26208	1.9
117.03466	53.9
124.79659	2.0
127.61670	1.9
131.23697	2.2
135.04510	5.0
140.43840	2.1
149.02509	4.4
159.04504	21.6
161.02458	12.0
161.06050	5.2
163.04013	3.4
167.05038	12.3
183.04543	2.2
185.06097	77.4
187.04019	14.8
197.06178	2.4
203.03564	3.7
211.03966	4.5
229.05083	82.4
253.05095	15.5
255.03012	9.2
271.06152	22.0
297.04114	12.2
373.07217	56.0
391.08255	100.0
391.17343	3.0
391.26889	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	390.127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70113	1.1
56.02415	1.4
59.01376	2.4
61.98835	2.0
83.15327	1.3
96.22555	1.2
96.96014	2.0
99.92579	100.0
109.46047	1.3
115.92084	22.9
116.92838	29.7
118.89969	74.8
134.89479	22.1
135.90245	28.1
158.95203	1.4
161.99529	1.5
169.96863	1.6
174.78499	1.5
230.00795	1.7
271.22769	7.4
272.23148	5.5
286.16376	1.9
330.17627	2.1
334.12369	2.9
336.14029	6.2
342.15292	1.7
354.15076	89.7
354.19482	2.9
355.15649	1.9
370.14667	16.0
388.37952	1.4
390.12753	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	390.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.6
61.98832	1.5
63.01606	0.9
63.83654	0.8
70.67077	1.0
74.02462	1.7
92.10356	1.4
123.03246	4.4
128.03529	4.0
138.05614	100.0
143.04652	8.7
149.46159	1.2
150.05588	3.8
180.06689	4.1
186.66119	1.0
192.43147	1.0
254.07964	1.4
272.08682	1.2
289.66299	1.0
300.10956	27.5
306.07620	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81702	0.1
59.01386	0.4
61.98833	100.0
76.57929	0.2
80.96480	0.2
81.80436	0.2
88.44604	0.1
96.96021	0.2
115.38771	0.2
138.79256	0.2
327.21808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49931	0.1
55.11501	0.1
60.00152	0.1
61.98830	100.0
63.39294	0.1
67.95340	0.1
84.91485	0.1
92.10141	0.3
93.75057	0.1
141.04941	0.1
327.57791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82392	1.1
57.03461	6.1
58.73259	1.0
59.01384	27.8
59.63162	1.1
61.98833	1.7
69.03451	1.8
72.99313	1.4
90.10703	1.3
92.10102	3.9
97.06623	5.0
111.08198	2.3
111.94951	1.4
112.98822	1.5
113.09760	1.4
115.07635	2.9
118.97421	1.1
123.04642	1.3
123.08184	10.0
125.09744	1.4
127.11282	1.7
130.59198	1.1
141.09248	2.2
142.99844	4.7
155.10722	1.5
160.79576	1.3
169.12300	2.5
171.10262	15.9
173.00882	1.3
174.01677	7.5
187.13416	2.7
191.91782	1.3
200.10512	1.8
229.05215	1.3
263.62201	1.3
328.88449	1.4
339.11005	5.9
341.23361	1.6
359.24451	51.4
371.24524	13.6
389.25540	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	389.2549
Annotation	bhos#24
Peak:m/z	Relative Intensity
51.99892	0.7
54.82283	0.7
56.61781	1.0
57.03437	1.4
57.34893	0.7
58.00600	2.0
59.01384	100.0
61.98832	1.4
64.24418	0.8
68.18655	0.8
68.70634	0.8
87.04501	1.0
95.93859	0.8
97.06593	1.1
109.06609	7.1
123.08143	4.9
127.11266	1.5
135.08185	6.2
138.06863	3.8
141.09248	0.9
153.09218	18.9
155.10756	1.5
157.12347	4.2
187.13394	6.6
201.11307	14.0
209.11850	1.1
225.07187	0.9
231.12401	21.1
275.20157	5.2
293.21390	2.0
308.33630	0.8
311.22421	2.1
371.24493	25.0
389.25528	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90802	0.1
59.18767	0.1
59.86091	0.1
61.98833	100.0
83.94798	0.2
96.95989	0.6
133.02568	0.1
162.06816	0.6
198.81023	0.1
201.42552	0.1
297.11267	0.9
309.11310	0.2
327.12207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04927	0.7
54.76587	0.8
58.96982	0.8
59.01383	100.0
62.22203	0.7
77.82413	0.8
83.89330	1.0
89.41451	1.0
125.80634	1.0
194.69095	0.9
292.78616	1.1
307.54257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33296	0.3
50.45128	0.3
55.23279	0.3
59.01385	100.0
61.98838	0.6
70.40477	0.4
84.23204	0.4
89.84848	0.4
110.73360	0.4
329.30533	0.6
359.33954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
132.26566	0.5
143.98430	0.5
145.11081	0.4
314.34814	0.5
385.33719	0.6
386.35202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2552
Annotation	bhos#24
Peak:m/z	Relative Intensity
50.62808	0.4
57.03454	2.0
57.50741	0.4
59.01379	5.2
60.99312	0.4
71.01382	0.7
71.05030	2.6
75.72848	0.5
81.03469	0.5
81.07079	0.5
83.05048	1.0
84.95134	1.0
85.06617	1.3
93.07090	10.0
95.51767	0.5
97.06588	2.8
99.04541	0.7
99.08121	0.7
107.71753	0.5
111.08157	2.6
111.83216	0.5
113.09705	3.2
123.08174	2.3
129.09216	2.5
137.09709	0.7
141.09265	0.8
141.10483	0.5
141.12894	2.3
147.11835	0.6
157.08727	3.1
169.12367	5.0
197.15459	0.7
209.11905	4.5
211.13373	0.9
225.05611	2.3
229.14471	23.3
278.48694	0.5
279.88559	0.5
329.14075	2.3
329.23303	9.2
341.23392	2.5
359.19965	1.1
359.24466	43.4
371.24460	15.3
389.25519	100.0
390.26105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45224	2.8
57.03454	3.9
59.01387	30.3
61.98829	47.9
63.53633	2.3
67.93101	2.7
69.19664	2.8
70.89161	2.6
72.69675	2.8
80.91697	19.8
97.02972	4.6
97.84320	3.1
106.75132	2.6
125.09763	6.8
135.08189	2.9
137.09708	4.9
139.11302	3.5
142.02817	3.1
159.58784	2.8
163.11311	13.2
179.10765	5.0
181.12271	3.6
185.11789	7.2
191.14400	14.4
197.43463	3.1
204.90916	3.4
207.10069	49.2
217.16002	3.6
223.09656	3.0
225.11357	6.4
245.19112	29.2
247.09572	6.9
289.18112	76.1
290.90231	3.0
307.19174	62.8
311.16275	5.6
329.17328	100.0
337.09644	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50311	3.7
54.82624	4.4
57.03460	7.5
58.76250	3.7
59.01390	83.1
69.16463	4.0
71.01382	6.9
76.99667	3.9
80.91632	4.6
95.05019	5.4
97.06593	19.2
104.45360	4.1
109.06595	4.6
111.08166	6.4
125.09651	4.9
143.77312	4.4
151.11304	26.9
155.10786	6.6
163.11299	7.6
165.12831	25.1
179.10770	11.1
181.12384	41.1
191.10771	10.4
209.11826	100.0
217.08414	6.4
233.11552	7.5
245.19075	25.3
289.18106	26.8
307.19055	44.5
327.10699	5.5
329.17297	9.0
389.19406	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.255
Annotation	bhos#24
Peak:m/z	Relative Intensity
51.74401	0.5
53.81755	0.4
57.03455	7.9
59.01392	4.1
60.64629	0.5
61.98821	0.9
68.99575	2.3
69.03455	0.9
71.01403	0.9
73.03005	0.5
83.05040	3.6
93.07100	9.9
97.06613	1.3
106.06651	0.7
111.08183	1.4
123.08140	4.0
125.09657	0.8
127.11298	0.9
134.04872	0.6
139.11327	1.0
144.96869	0.7
145.08727	0.8
146.17599	0.6
169.12347	10.7
171.08757	1.0
171.10268	29.2
185.11833	3.2
211.13417	12.4
329.23419	8.6
341.23630	4.2
359.24438	42.7
360.24710	1.0
371.24435	13.9
389.25494	100.0
390.25793	2.9
405.85178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
74.94290	21.0
79.95137	19.8
104.97691	24.1
105.23914	21.5
111.05121	21.1
130.96819	29.6
181.91414	21.5
255.47633	26.4
318.49380	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	389.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16010	2.6
57.03465	5.9
59.01384	69.8
61.98837	4.1
67.01859	2.6
68.98645	2.4
69.03475	4.2
71.13385	2.4
78.41194	2.3
80.02697	3.5
80.91662	24.8
81.03477	5.3
82.10158	3.0
83.01408	18.3
83.05058	2.9
90.59189	2.7
92.10711	4.2
95.04994	5.2
96.96959	6.1
97.02941	5.0
97.06611	13.7
109.06648	4.9
119.08675	3.4
121.06606	3.5
123.04534	16.7
123.08174	6.6
125.09673	25.8
135.08171	6.0
137.09766	17.1
151.21304	2.9
163.11296	17.5
165.12886	13.1
179.10779	4.0
185.11845	23.4
191.14418	18.8
207.10297	16.9
209.11862	77.0
212.26459	2.7
222.18303	2.7
225.11342	12.2
231.10054	45.6
233.11652	4.6
245.19092	39.9
247.20715	5.1
289.18112	100.0
291.19659	37.4
307.19208	65.7
317.17453	4.8
329.17386	18.3
389.19421	14.1
409.01849	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01889	6.1
55.69459	0.8
57.03461	3.9
59.01382	74.6
61.98848	1.0
71.01380	46.5
72.99312	2.3
73.02937	11.0
75.00874	1.4
83.01384	8.0
85.02953	22.9
85.06590	1.6
87.00913	1.5
89.02446	20.0
90.74569	1.0
92.10081	2.0
95.01414	4.1
99.00895	4.1
101.02434	31.9
113.02448	17.4
119.03500	6.6
131.22786	1.0
159.03059	1.6
160.05270	1.5
161.04558	5.5
191.10870	1.1
199.76256	1.1
293.04599	2.0
294.04901	1.2
329.13940	2.1
389.18243	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	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88419	0.5
55.01896	3.9
57.03463	3.1
58.00620	1.1
59.01389	57.7
59.95432	0.6
64.34688	0.7
69.03474	1.1
71.01385	20.8
71.05022	0.6
72.99328	3.3
73.02970	5.1
83.01400	4.7
85.02968	9.9
89.02448	14.6
95.01392	1.8
99.00886	2.7
101.02444	15.9
113.02467	9.4
119.03500	3.2
121.02958	1.6
167.24475	0.7
191.10756	3.1
192.31888	0.9
195.40332	0.8
208.08363	0.8
209.11885	11.9
227.12950	5.8
257.12991	5.0
389.18219	100.0
390.18457	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	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.82636	0.8
55.01883	3.6
57.03463	1.7
59.01383	58.1
68.36739	0.6
69.03476	3.4
70.70992	0.8
71.01378	20.9
71.05022	1.1
72.99315	1.3
73.02959	4.9
83.01412	4.8
85.02946	9.9
87.00882	0.9
89.02438	11.4
95.01391	1.2
99.00863	1.0
101.02428	14.0
111.08115	0.7
113.02470	10.9
119.03493	3.0
121.02990	2.4
132.59428	0.7
165.12793	1.0
175.63855	0.7
179.78308	0.6
191.10764	1.4
209.11871	12.9
227.08412	0.8
227.12932	4.6
257.12958	6.9
270.43326	0.7
362.65265	0.7
389.18253	100.0
390.18756	1.1
409.50906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38013	0.8
52.70111	0.9
54.82548	0.9
57.03458	1.2
59.01393	10.6
64.34469	1.1
71.01431	1.2
95.01424	1.5
95.05064	1.2
118.31622	1.0
121.02955	13.8
136.37746	1.0
146.03758	35.2
147.04539	4.6
149.02446	100.0
161.06078	8.1
163.04053	1.1
164.04802	42.3
165.05595	6.6
179.07141	24.6
283.09805	4.1
312.10104	18.1
327.12445	55.7
379.37863	1.1
389.25693	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	389.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	7.8
59.01384	46.1
61.98833	7.0
62.53166	3.0
63.60692	3.3
71.01401	8.2
72.99346	5.6
73.02961	3.5
75.00880	6.7
79.23620	3.2
79.24883	3.6
99.00906	21.6
111.08204	4.1
112.98815	25.1
116.53890	3.8
121.02976	5.7
136.07736	3.3
137.09802	3.9
138.02007	5.8
141.93178	3.5
142.99869	61.1
149.34860	3.8
173.00917	22.1
174.01682	70.7
183.10304	18.3
191.10835	4.7
229.14351	5.7
239.09195	15.8
279.08698	15.5
305.74356	3.8
339.10834	100.0
357.11993	8.7
359.24393	35.1
371.24466	5.2
389.12283	4.9
389.25467	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
63.73722	0.4
71.01370	4.4
73.02943	1.9
75.00872	0.8
85.02970	2.1
96.96032	0.6
101.02418	2.8
113.02454	1.0
121.02927	0.8
122.03716	3.3
123.00841	0.7
152.04796	27.2
156.15170	0.5
161.04578	4.0
167.07132	29.7
237.06088	0.8
339.20691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00689	0.6
53.59973	0.8
54.82740	0.6
56.94746	0.6
59.01382	100.0
61.98832	4.8
64.39487	0.7
66.68432	0.6
71.01389	3.8
73.02964	1.4
85.02972	1.2
96.96000	0.9
101.02441	1.8
113.02438	1.3
122.03713	1.3
137.02489	0.8
152.04788	25.4
156.19928	0.7
161.04538	4.0
165.01895	1.2
167.03549	1.1
167.07133	24.2
176.82193	0.9
264.29086	0.8
335.20020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80946	1.0
58.80607	1.1
59.01390	9.0
61.98843	2.0
71.01384	1.6
86.68288	1.1
96.95996	7.1
96.96952	1.9
98.95609	1.7
101.02491	1.3
104.32883	1.1
108.02171	73.0
123.04526	27.8
137.02461	1.8
149.06068	5.5
152.01152	52.0
155.03816	1.2
167.03494	100.0
177.21034	1.1
191.05617	2.0
207.13899	1.3
261.62943	1.3
329.08810	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.4
60.99311	18.8
61.98830	1.0
75.77232	0.8
88.98801	100.0
89.02450	9.0
89.19552	0.9
94.78356	0.9
96.96031	2.2
109.76080	0.9
148.91003	1.5
191.05652	4.5
236.94270	1.1
341.55908	1.2
359.28342	1.2
413.59882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40702	0.7
55.03955	1.0
59.01383	100.0
60.22095	0.9
60.85006	1.0
71.01359	1.5
73.02950	21.5
73.18231	1.0
85.02967	2.3
87.00867	1.2
89.02481	1.3
92.10188	1.1
96.96017	1.4
99.00869	4.1
99.04544	1.0
101.02442	1.4
106.04234	4.9
108.02193	1.5
117.01936	31.5
119.05024	84.3
134.03711	8.8
135.04504	1.3
136.01746	1.2
149.02362	1.1
149.06097	43.6
150.03177	1.1
151.03938	1.2
152.01222	1.1
165.05511	1.1
167.03438	1.3
167.07144	31.4
191.01889	1.2
253.14394	1.1
293.29773	1.2
329.12598	1.1
366.83994	1.0
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
56.63173	1.2
57.03458	19.0
57.13816	1.3
58.00586	1.6
59.01382	100.0
70.95426	1.3
71.01378	34.1
73.02933	2.8
73.20241	1.7
80.91671	2.8
82.95423	3.7
83.01391	2.1
84.02129	1.6
85.02948	9.0
87.00858	1.6
88.28645	1.4
88.98796	6.7
89.02439	40.0
89.71877	1.7
95.01340	2.4
96.96011	17.7
99.04514	10.1
101.02435	25.5
113.02437	13.0
119.03486	14.3
123.78434	1.7
125.02400	7.1
134.03740	14.1
143.03523	2.6
145.05159	2.0
149.06087	25.3
150.03191	3.0
161.04581	3.2
163.06154	11.4
165.05513	2.0
167.07130	16.6
168.00688	2.0
179.05595	8.8
183.02869	2.0
203.05388	3.9
245.06631	5.5
307.10345	9.9
329.08780	3.6
329.12457	8.4
389.10654	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75760	1.1
57.03458	8.6
59.01381	73.4
59.04884	1.1
60.99306	23.3
70.62847	1.2
71.01379	23.5
73.02950	1.3
83.01429	1.6
85.02973	6.8
86.68308	1.4
87.00901	8.6
88.98803	100.0
89.02437	35.7
96.96010	25.2
96.96986	2.6
99.04513	5.6
101.02457	11.6
113.02456	9.9
119.03512	11.1
119.05014	1.9
119.06895	1.6
121.02950	2.2
125.02406	2.1
129.54857	1.5
131.03505	1.7
134.03734	15.8
136.01547	1.8
138.03214	1.7
139.00375	2.1
139.03992	2.3
140.01138	7.2
147.04518	1.6
149.06073	16.8
150.03256	2.8
151.04025	3.5
155.03535	2.2
161.04565	1.5
163.06131	9.2
165.03743	1.6
165.05640	2.0
166.99854	3.5
167.03491	1.4
167.07164	14.7
168.00653	14.0
179.05600	6.7
183.02994	2.5
203.05470	2.3
214.16299	1.4
245.06256	1.5
307.10324	5.5
329.12381	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	389.0671
Annotation	Batocanone
Peak:m/z	Relative Intensity
54.28353	0.4
58.09335	0.3
59.01381	0.7
61.20544	0.4
61.98841	1.7
65.00330	2.2
66.27410	0.3
70.30437	0.4
76.43903	0.4
77.00346	0.5
79.95743	2.2
84.54289	0.4
92.10404	0.3
93.03458	0.6
95.95243	0.7
96.96004	4.8
100.34962	0.4
103.21465	0.4
106.36741	0.4
110.00111	3.8
117.03467	14.6
119.01368	2.8
119.05046	0.6
120.99341	0.7
121.02949	17.2
129.03502	0.7
136.98822	4.9
139.80405	0.4
143.05057	1.9
145.02942	0.8
155.05034	2.0
158.03700	0.5
159.04602	2.9
161.02463	3.7
163.00388	0.7
165.99065	3.2
167.05016	2.4
171.04539	2.5
183.04489	3.9
184.05247	0.4
195.04500	3.8
196.05333	0.9
197.06146	0.6
199.04008	1.7
200.04816	2.9
201.05769	0.5
201.91678	0.4
203.03590	0.6
205.10483	0.4
211.04047	6.3
212.04845	1.0
213.35612	0.5
223.03938	0.7
227.03520	3.1
228.04257	1.5
239.03549	7.9
240.04222	0.9
255.02982	3.5
256.03726	0.7
267.02963	2.0
268.03745	1.7
283.02509	4.1
284.03290	31.1
285.03986	4.3
289.08569	0.5
389.06711	100.0
389.16797	2.7
390.07028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24233	1.5
59.01383	14.7
61.98841	33.9
84.83089	1.8
99.00913	2.6
109.02956	1.5
117.01974	1.8
132.05817	9.7
160.05318	15.4
161.02409	1.6
173.06099	2.6
175.04024	24.9
176.04765	10.7
186.06876	9.9
188.04774	3.5
189.01915	13.8
200.04825	27.6
201.01900	2.5
201.05574	50.5
201.07242	2.7
201.11401	2.5
202.06317	6.2
202.99939	7.6
203.03575	22.8
204.04303	3.0
212.04836	1.8
213.05681	2.3
214.06400	13.3
215.07150	71.6
216.04352	3.4
217.01486	8.7
226.06331	18.6
229.05064	100.0
229.08742	6.2
229.40881	2.1
230.05840	25.8
231.06602	2.6
238.48260	1.7
240.04250	3.1
241.05090	13.2
241.08766	10.8
242.05797	12.9
244.07370	28.7
245.08212	19.3
255.06624	7.0
256.07358	2.8
257.04578	2.6
257.08133	19.8
258.05310	19.7
259.06064	2.3
268.03723	2.5
270.05353	9.0
273.07629	8.2
281.08276	1.9
283.06088	4.0
285.07657	27.0
286.04956	8.7
299.09216	2.3
301.07172	38.5
327.08682	9.5
329.06729	24.7
359.15109	2.4
359.24591	2.1
368.82733	1.8
371.24390	2.6
389.25565	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	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65392	0.2
61.74299	0.2
61.98835	100.0
66.08015	0.1
67.58054	0.1
71.61582	0.1
80.60665	0.1
83.16261	0.1
92.10880	0.4
111.92762	0.1
209.11813	0.9
275.75751	0.2
307.19226	0.3
325.20111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35780	0.2
61.98832	100.0
62.45715	0.2
121.50401	0.2
132.74588	0.2
224.87349	0.3
267.66321	0.2
404.96222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84231	0.2
61.98829	100.0
65.49479	0.3
78.98930	0.3
80.20672	0.2
85.46519	0.3
91.81229	0.3
120.09872	0.3
141.09192	0.6
220.03134	0.3
227.12790	0.3
256.24133	0.5
261.18622	0.4
279.19708	2.8
307.19278	0.4
325.20236	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	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59216	0.3
61.98832	100.0
62.53934	0.4
106.76984	0.3
139.33830	0.3
174.66902	0.3
182.51149	0.4
198.31366	0.3
198.33261	0.3
213.85524	0.4
261.18549	1.8
305.31836	0.4
325.20221	10.9
344.21750	0.5
393.42899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69946	0.4
59.01379	0.6
61.98831	100.0
92.40802	0.5
95.18710	0.5
167.02402	0.6
169.13882	0.5
190.53320	0.6
193.98012	0.5
307.19464	0.6
402.30777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0672
Annotation	Diosquinone
Peak:m/z	Relative Intensity
53.47507	0.2
59.01400	0.3
65.00311	0.3
67.24152	0.2
93.03448	6.0
111.70852	0.2
117.03465	20.6
121.02933	0.4
129.03461	4.2
135.04520	1.6
155.05063	1.1
157.02971	3.4
158.03828	0.3
159.04521	20.4
161.02425	3.2
171.04555	1.0
181.02962	1.1
182.03712	4.0
183.04517	59.8
184.04848	1.0
185.02457	10.2
195.04535	1.9
199.04044	1.5
203.03572	2.4
207.04523	1.5
209.02496	3.5
213.05650	0.4
225.05615	1.6
227.03534	100.0
228.03914	1.0
228.11894	0.3
250.02730	0.4
251.03532	16.2
252.24251	0.2
253.01447	5.1
269.04575	21.7
273.31323	0.3
295.02521	9.0
303.06653	1.0
345.07849	0.4
389.06732	57.3
390.07239	1.3
393.89615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26700	13.1
54.14251	12.9
55.14362	16.6
59.01398	100.0
60.90247	13.1
61.98849	16.4
62.34781	15.3
92.10847	19.4
141.01691	30.6
235.84711	15.7
345.47214	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	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65961	0.3
54.83068	0.4
59.01384	100.0
59.35688	0.3
60.22233	0.3
61.98528	0.7
61.98832	12.2
67.16367	0.3
70.88565	0.4
72.01933	0.3
107.09499	0.3
111.92894	0.4
117.03444	0.4
134.86078	0.4
138.52808	0.4
142.00058	0.4
145.02975	1.7
171.37384	0.4
235.20685	1.5
253.21793	7.7
311.37885	0.4
387.25293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
84.12541	0.5
92.10046	1.0
101.40855	0.5
117.49112	0.6
121.58514	0.5
141.01718	0.9
233.96904	0.5
292.58649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57280	0.3
55.59806	0.2
61.98834	100.0
63.67859	0.3
71.73837	0.2
73.16639	0.2
74.31215	0.2
75.93541	0.2
82.02178	0.2
113.94977	0.3
115.42284	0.3
273.57202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
61.42595	0.2
61.98832	100.0
62.53774	0.2
71.01382	0.3
72.98747	0.3
73.84185	0.3
87.00875	5.0
87.48299	0.3
89.02435	0.5
116.92830	0.6
145.02975	0.5
220.47232	0.3
226.07924	0.3
285.54114	0.3
306.52277	0.3
388.16989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70882	0.3
59.01374	0.5
59.04422	0.3
61.98829	100.0
67.88975	0.4
85.00860	0.4
96.95995	0.5
165.41466	0.4
379.54568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74660	1.6
51.45674	1.6
55.01877	2.7
56.14419	1.6
57.03452	3.5
58.00573	2.0
59.01382	93.2
59.30257	1.6
66.06447	1.9
71.01385	33.5
71.05019	4.0
73.02946	3.7
83.01409	2.7
85.02968	12.7
87.00920	3.0
89.02439	24.7
92.10788	6.2
95.01385	1.9
101.02439	20.4
112.04075	2.1
113.02447	9.7
115.04023	3.1
119.03513	4.4
163.11284	13.9
165.09206	3.5
193.85565	2.2
207.10202	8.6
259.78244	2.3
277.15588	2.3
320.51410	2.1
351.15677	3.3
387.16653	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	387.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87667	0.3
54.16902	0.3
59.01380	11.8
60.00787	0.3
75.00860	2.7
79.93613	0.4
88.49657	0.3
93.03454	0.6
108.02176	0.8
112.90993	0.4
121.02948	16.6
122.03761	3.4
134.03749	0.8
136.05299	5.2
137.02406	0.7
154.02592	0.4
162.06870	0.7
163.04005	0.5
163.11389	0.4
164.04800	15.2
167.03656	0.4
168.04247	2.3
174.06828	3.7
175.07637	34.7
176.08423	6.9
190.06375	15.2
191.07193	2.5
191.10805	0.5
193.05061	3.1
207.06627	2.0
208.07509	3.4
281.11877	2.6
282.08932	3.8
297.11307	2.5
312.13766	8.5
327.16043	100.0
328.16464	1.8
340.70493	0.4
382.27481	0.3
403.19467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	33.5
53.03368	33.0
57.34026	36.4
59.01405	100.0
62.11920	36.9
94.29124	48.7
150.20834	47.4
267.79562	50.6
350.09286	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	387.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29254	0.4
53.52176	0.5
55.58323	0.4
56.48547	0.4
57.03450	0.6
59.01385	100.0
61.98835	5.0
71.01380	8.9
73.02953	1.6
76.17564	0.4
83.01408	0.7
85.02959	3.0
89.02448	2.8
90.79890	0.4
96.96014	0.5
99.00919	0.5
101.02432	3.7
106.04246	2.8
111.00903	0.5
113.02445	3.8
119.03477	0.8
121.06563	0.5
131.39839	0.4
133.65837	0.4
151.04034	2.0
159.02975	0.7
161.04556	7.4
165.05554	2.2
165.09210	35.6
179.05547	0.6
183.91785	0.4
225.07706	8.7
280.24496	0.4
299.12833	0.8
335.79443	0.5
347.86606	0.4
387.16812	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87151	1.7
52.76939	1.9
55.01897	3.4
59.01382	78.4
65.21217	1.8
69.03479	1.9
71.01379	36.3
73.02965	3.3
73.64519	2.1
79.44511	2.2
83.01406	2.4
85.02950	13.3
89.02451	22.6
97.02888	2.9
100.91539	2.1
101.02435	18.7
113.02476	14.0
115.04014	3.3
119.03512	4.2
134.03793	2.2
135.04666	2.1
163.11264	16.1
164.18542	1.9
164.46301	2.0
166.35150	2.1
180.25494	2.1
207.10220	7.7
225.11229	2.4
277.15518	3.1
332.53534	2.1
351.15695	4.8
387.16635	100.0
412.89597	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67762	0.4
51.97690	0.4
52.85946	0.4
55.01896	0.5
57.03452	0.6
59.01387	12.4
62.89038	0.5
68.22192	0.5
68.79501	0.5
71.01382	18.8
72.99316	0.9
73.02953	0.8
83.01395	3.8
84.02157	0.6
85.02971	1.2
85.61027	0.4
87.00880	29.6
88.96812	0.5
99.00890	1.9
111.00898	4.8
112.98824	0.8
113.02493	0.9
115.00377	83.3
127.00398	1.2
139.00383	7.3
157.01427	8.0
175.02487	100.0
183.14063	0.8
211.13434	2.1
215.12918	0.7
223.13353	0.8
225.15059	2.6
235.67209	0.5
237.15039	1.0
239.13025	0.7
241.14442	4.1
247.13403	1.0
253.14575	1.0
261.14954	4.7
265.14771	0.5
269.13931	7.2
283.08643	1.0
283.15683	0.7
287.15036	4.8
289.07516	0.6
306.00650	0.5
307.15497	6.6
327.14468	6.6
351.14624	1.0
387.16681	0.7
399.91342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87151	1.7
52.76939	1.9
55.01897	3.4
59.01382	78.4
65.21217	1.8
69.03479	1.9
71.01379	36.3
73.02965	3.3
73.64519	2.1
79.44511	2.2
83.01406	2.4
85.02950	13.3
89.02451	22.6
97.02888	2.9
100.91539	2.1
101.02435	18.7
113.02476	14.0
115.04014	3.3
119.03512	4.2
134.03793	2.2
135.04666	2.1
163.11264	16.1
164.18542	1.9
164.46301	2.0
166.35150	2.1
180.25494	2.1
207.10220	7.7
225.11229	2.4
277.15518	3.1
332.53534	2.1
351.15695	4.8
387.16635	100.0
412.89597	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	387.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.6
57.03456	1.8
58.00592	1.4
59.01385	85.8
60.99303	3.2
70.65391	1.2
71.01381	52.1
72.99305	5.4
73.02969	1.3
75.00870	5.8
75.61054	1.1
79.27151	1.3
85.02945	13.1
87.00856	2.5
87.89111	1.4
88.98796	18.8
89.02440	76.8
90.61633	1.2
92.10124	2.4
93.03482	1.4
95.01382	1.8
98.41617	1.4
101.02444	25.6
103.31074	1.3
105.08405	1.2
113.02444	17.8
119.03500	24.2
131.03535	1.5
143.03493	2.0
149.04520	1.5
161.04579	2.8
179.05600	23.0
183.05930	1.5
188.07877	1.3
195.05098	12.1
316.99615	1.3
327.12851	1.5
330.18967	1.4
330.65891	1.4
341.10931	100.0
360.19305	1.5
379.59250	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	2.5
58.00600	2.1
59.01384	99.4
71.01379	61.1
71.01775	1.7
72.99330	2.5
75.00886	5.0
76.49953	1.1
78.63376	1.2
85.02927	9.9
87.00902	2.9
88.98832	6.5
89.02439	93.3
93.03428	2.3
95.01415	1.9
101.02438	37.1
101.03075	1.3
113.02451	20.7
119.03493	27.8
129.01923	2.2
131.03513	1.6
133.09456	1.4
135.78757	1.2
143.03528	4.9
149.04597	2.2
161.04549	2.9
163.06137	9.7
179.05635	22.1
195.05119	8.8
209.20653	1.3
341.10941	100.0
342.11505	1.6
354.28421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24650	0.2
58.67141	0.2
61.98832	100.0
87.42105	0.2
146.04062	0.3
209.11790	0.2
225.28552	0.2
305.17557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57779	0.6
59.01386	3.8
61.98831	8.2
62.10708	0.6
70.16283	0.7
90.11958	0.7
93.03461	16.8
103.42280	0.7
117.03474	54.6
127.05523	6.3
135.04500	5.2
138.14467	0.8
155.05017	4.8
157.06615	11.9
158.03728	1.3
159.04533	20.3
161.02457	7.2
179.05133	0.9
180.05817	3.2
181.06607	87.9
183.02951	1.2
183.04526	19.3
184.20421	0.9
190.21649	1.0
193.06517	1.7
203.03513	4.5
205.06664	1.3
207.04466	6.2
223.07648	3.3
225.05608	100.0
249.05615	22.6
249.08046	0.9
251.03482	6.0
267.06653	29.8
293.04568	13.1
301.08789	2.9
387.08804	84.8
388.08829	0.8
411.21692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60638	1.2
54.82700	1.5
56.76617	1.1
57.60205	1.3
59.01388	9.4
60.25988	1.1
61.98841	6.3
65.00329	6.8
67.80122	1.1
75.85687	1.2
76.79203	1.7
77.24321	1.3
81.46252	1.3
90.39263	1.3
117.03439	13.0
119.05027	3.2
136.98811	9.3
141.01736	1.5
156.85925	1.3
156.87152	1.7
164.01144	3.3
165.99089	2.6
183.04477	1.7
186.03221	1.8
195.04506	1.6
200.04823	2.5
211.03979	2.8
212.04758	2.4
223.04027	1.6
224.87421	1.6
227.03496	2.8
239.03481	1.8
265.64432	1.4
268.03824	3.2
283.02548	3.0
284.03275	42.7
387.08795	100.0
388.09253	1.8
393.95392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82617	1.0
59.01392	1.9
61.98835	8.3
67.56102	1.0
75.00866	9.4
75.73943	1.2
167.14456	2.5
169.55605	1.4
176.00786	1.2
183.13867	2.9
195.13872	10.0
211.13428	1.6
213.14952	1.8
293.21262	13.1
311.22324	100.0
396.19574	1.2
409.77731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26944	0.3
51.28920	0.3
54.96923	0.4
56.80223	0.4
58.41598	0.4
59.01389	2.1
72.41658	0.4
75.00876	3.1
75.95219	0.5
76.62177	0.5
84.02169	0.5
91.04026	0.6
97.06568	0.5
113.09689	0.5
115.07682	1.7
121.02943	0.5
127.07695	0.6
157.78354	0.4
167.14386	3.8
183.13905	2.4
195.13904	12.4
211.13464	0.9
213.14992	1.9
241.14372	0.5
242.15208	1.9
249.22264	0.6
265.21799	0.8
267.23306	0.6
293.21289	12.8
311.22333	100.0
312.22543	0.9
385.25943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82983	0.2
59.01390	100.0
101.34438	0.3
155.73247	0.3
282.95978	0.3
397.02597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
72.58471	0.5
72.67590	0.4
82.17500	0.4
95.39441	0.4
108.86755	0.4
195.57843	0.5
223.58467	0.5
253.26334	0.5
360.34387	0.4
388.59796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83026	1.5
55.01891	3.5
57.03461	6.1
59.01384	100.0
71.01376	58.3
72.99326	2.0
73.02962	8.0
75.19457	1.4
79.07462	1.3
83.01391	3.7
84.02161	2.0
85.02938	19.1
86.60353	1.4
87.00882	1.8
89.02438	25.9
95.01367	3.8
97.02934	2.7
99.00879	1.9
100.16495	1.7
101.02441	20.1
109.06618	2.1
113.02450	18.3
119.03499	3.6
121.02938	14.9
122.03716	1.8
123.08160	6.7
134.03732	9.9
136.01656	2.9
136.05278	3.3
138.06874	29.2
139.07637	7.3
149.02437	5.6
150.00426	1.8
151.04015	9.1
151.07651	20.8
152.08441	37.5
153.09213	94.5
157.74950	1.5
161.04555	13.3
163.11301	6.7
163.72800	1.6
164.04765	2.9
165.09262	1.7
189.09262	1.8
205.12372	33.6
223.06085	6.9
223.13408	15.2
327.12317	13.4
385.10986	1.9
385.18747	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	385.1869
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.13564	1.2
55.01891	1.2
57.03462	3.2
58.69853	1.3
59.01384	100.0
71.01385	54.6
72.99306	2.1
73.02962	6.2
80.01852	1.4
83.01385	3.0
84.04544	1.4
85.02963	18.7
89.02440	27.0
95.01402	3.0
95.05029	2.3
97.02971	7.3
99.00906	2.5
101.02422	20.1
109.06567	1.9
112.26521	1.3
113.02435	18.9
119.03522	6.0
121.02960	13.2
122.03785	2.0
123.08134	1.7
125.06090	1.8
134.03754	6.9
136.01633	6.8
136.05312	3.4
137.06082	1.9
138.06866	26.0
139.07677	8.3
143.03601	1.6
149.02473	6.9
151.04045	11.5
151.07675	19.3
152.08441	34.3
153.09222	84.8
161.04565	11.8
163.11319	3.0
164.04796	2.4
165.09265	1.5
179.05730	1.6
179.10831	2.4
187.16985	1.3
189.09285	2.6
205.12349	31.2
223.06137	5.8
223.13454	12.1
239.05383	1.4
268.05258	1.5
278.04184	1.4
327.12415	9.8
328.12714	1.8
328.64014	1.6
385.18741	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60583	1.1
59.01381	12.9
60.09595	1.3
69.03486	1.5
70.29097	1.2
71.01379	15.6
72.99330	3.5
75.55696	1.4
83.01402	1.3
83.05041	3.2
85.02942	1.6
87.00873	2.1
91.34142	1.2
94.72941	1.3
99.00877	36.9
99.57189	1.3
108.02176	2.1
111.00880	3.5
112.98813	34.1
113.99636	2.1
115.00371	11.1
124.98795	5.8
140.01190	7.6
142.99869	45.8
147.49225	1.6
156.00679	3.2
163.04028	2.3
164.04839	6.2
173.00891	17.4
174.01706	85.8
175.02493	5.4
177.05547	9.3
183.13931	2.7
185.91573	1.5
192.91940	1.6
195.13925	2.1
207.13966	3.3
211.13428	36.9
223.13496	14.8
233.11943	2.3
235.13483	1.6
237.05891	1.9
237.11272	1.7
237.15050	1.9
245.11853	1.9
251.13066	1.7
261.11414	2.7
263.12857	5.3
265.07578	6.2
267.12375	9.1
270.33154	1.6
279.12354	17.4
281.04904	2.3
289.10831	3.1
305.14066	2.4
307.11887	39.3
325.09683	1.8
349.12909	10.6
367.09406	3.2
367.14029	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40425	1.2
51.83894	1.0
57.03459	1.6
59.01392	5.8
66.71218	1.0
71.01377	15.2
72.99305	3.0
73.02952	1.7
83.01398	2.8
83.05070	1.4
83.13681	1.2
85.02976	2.0
87.00881	5.0
92.10216	1.6
96.99276	1.3
99.00876	17.3
111.00899	2.2
112.98809	41.1
113.99545	1.6
115.00346	8.9
121.03040	2.0
122.03751	2.6
124.98790	7.9
132.45575	1.2
140.01180	1.4
142.99875	53.9
145.01549	1.5
149.06078	3.0
156.00655	5.6
163.03999	2.6
164.04794	2.3
173.00928	23.3
174.01703	100.0
175.02473	9.6
177.05531	2.1
180.04309	2.2
183.14020	2.0
191.07176	2.0
205.12305	2.1
206.05771	1.4
207.13914	1.9
211.13400	45.9
223.13446	9.7
224.06892	2.6
235.13431	1.9
245.11928	1.8
262.73782	1.7
263.12875	7.9
267.12460	10.9
279.12378	5.2
287.12921	2.6
307.11865	19.2
325.12958	2.3
329.14005	50.4
331.14453	2.4
337.12668	1.9
347.14941	10.7
349.12872	6.0
367.14050	54.5
385.15082	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93186	0.3
51.25708	0.4
57.03441	0.6
59.01382	100.0
61.46248	0.4
61.98843	0.5
63.26740	0.4
71.01375	5.9
71.06329	0.4
73.02930	1.0
82.89499	0.4
82.95420	0.7
83.01381	0.7
85.02949	2.3
94.10449	0.4
97.52085	0.4
99.00892	0.7
101.02441	2.5
113.02460	2.2
130.85739	0.5
142.99913	0.4
145.06613	0.5
148.05307	16.8
161.04527	4.3
163.07645	10.0
174.01680	1.0
202.82866	0.4
295.06158	0.7
297.07602	3.7
299.12939	0.8
323.05692	1.0
341.06592	2.4
367.14008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01372	0.6
60.07846	0.5
70.28687	0.4
83.52462	0.5
88.01070	0.5
92.10827	0.5
93.03493	1.1
119.05032	9.4
121.02951	16.2
134.03783	1.0
135.04532	2.3
149.02449	100.0
151.04036	0.5
152.01140	2.5
163.04030	9.4
164.04800	76.0
165.01903	1.0
179.07143	21.1
187.77176	0.5
193.01385	9.4
208.03810	21.5
223.06160	64.3
329.68536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24986	0.4
59.01387	2.0
71.01405	0.4
83.55462	0.4
93.03462	3.8
121.02132	0.8
121.02950	15.4
123.04521	0.4
135.04515	6.5
140.51981	0.4
149.02449	83.8
151.04036	0.8
152.01152	9.9
163.04013	14.3
164.04802	57.1
165.01891	4.7
167.03494	2.3
169.05080	5.2
179.07138	15.1
179.10718	0.6
193.01424	36.8
199.07570	0.4
207.03078	0.6
208.03786	61.3
209.11829	0.8
218.77063	0.4
223.06142	100.0
224.06519	0.6
228.06296	0.4
385.11563	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	384.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68114	1.2
55.01878	7.6
57.03444	2.7
59.01383	26.1
60.34085	1.3
61.98829	11.9
67.36975	1.4
71.01378	37.5
73.02952	14.7
73.63474	1.4
74.02472	26.9
75.00869	1.6
82.95412	2.4
83.01396	8.7
85.02952	20.5
87.00860	3.2
88.21603	1.3
92.10040	1.7
95.01377	2.1
96.96011	1.9
99.00878	7.2
101.02442	32.8
113.02431	13.2
129.01895	1.3
143.03462	1.6
147.04541	57.9
161.04573	11.2
164.07167	8.0
176.04756	2.0
178.08701	2.5
236.07846	13.9
247.84729	1.4
295.90036	1.3
384.13065	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	384.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.11819	0.7
60.35798	0.8
75.90865	0.9
78.51128	0.9
100.81071	0.9
112.98531	1.1
166.55104	0.8
259.82114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
55.45488	0.5
59.01389	2.7
61.98849	0.5
69.94797	0.5
78.77887	0.6
93.03458	2.6
96.45892	0.6
108.14539	0.5
119.05003	2.4
121.02947	16.0
121.95313	0.5
135.04483	6.2
137.02432	0.8
143.72339	0.6
145.02939	3.5
149.02446	83.9
152.01144	10.3
161.05994	1.1
163.04025	14.0
164.04791	61.8
165.01936	4.8
167.03467	2.4
169.05083	5.2
179.07103	15.3
193.01422	37.1
205.05112	0.8
208.03780	60.9
223.06133	100.0
265.07162	2.3
385.11331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
58.95213	0.6
59.01397	3.0
62.41283	0.5
71.01390	0.9
78.31009	0.5
83.01398	0.6
85.02962	2.6
93.03443	1.2
99.96387	0.5
111.00872	0.8
119.05019	23.2
121.02954	13.8
129.01924	0.8
135.04555	1.1
146.14131	0.6
149.02446	100.0
152.01147	2.6
163.02704	0.8
163.03996	18.7
163.11374	0.6
164.04793	72.6
165.01904	0.9
179.07156	17.2
185.02275	0.8
187.03963	1.3
193.01445	9.4
205.04979	2.4
208.03770	22.9
220.07430	1.5
223.06166	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	383.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
79.45042	3.2
89.92812	3.5
99.08157	16.3
104.69991	4.1
127.07666	14.9
140.99365	3.1
145.08722	50.3
200.59724	3.6
255.23335	100.0
404.28821	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	383.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76462	1.6
321.31653	78.7
365.30701	21.3
383.31714	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	383.3534
Annotation	24-hydroxytetracosanoic acid
Peak:m/z	Relative Intensity
58.39986	1.4
66.81063	1.4
76.24062	1.6
76.49423	1.4
100.26048	1.5
106.05857	2.5
119.37912	1.6
123.14857	1.5
126.12921	1.4
207.57309	1.8
284.36456	1.7
383.35379	100.0
404.34268	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	384.094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42995	0.6
54.82660	0.7
58.54863	0.5
59.01388	18.5
61.98834	5.5
62.05346	0.7
63.86256	0.6
71.01369	7.6
72.99300	0.9
73.02955	0.7
79.68202	0.6
81.12016	0.7
85.02971	3.4
89.02466	4.1
89.03935	0.7
92.10772	0.8
101.02441	2.6
113.02494	1.0
115.66697	0.7
116.05054	23.4
117.03468	10.4
145.43515	0.8
148.04092	1.3
149.83768	0.7
160.04050	100.0
161.04485	1.1
169.00703	0.7
176.03502	0.9
204.03038	62.5
222.04077	3.1
323.16949	0.8
384.09433	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	384.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.4
58.02979	26.5
59.01383	77.4
61.98838	23.6
65.20125	3.2
71.01388	24.5
85.02961	3.9
89.02444	7.5
96.95982	3.5
101.02453	5.0
101.03953	3.9
105.16860	3.2
113.02398	3.4
118.06640	15.5
119.05024	100.0
144.04575	28.8
146.50871	3.6
162.05580	19.1
163.03989	8.5
183.64304	4.4
204.06686	46.9
222.07806	5.7
238.34058	3.8
259.73862	3.9
384.13116	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13356	0.5
59.01134	0.5
59.01377	4.4
61.43455	0.5
61.46737	0.6
61.98831	0.6
64.34595	0.5
65.00337	0.8
76.08860	0.5
82.55318	0.6
87.34278	0.5
89.02473	0.8
91.04029	1.1
97.06630	2.3
99.85249	0.5
100.70399	0.6
103.77544	0.6
107.01402	1.2
113.09679	1.0
115.07587	1.2
117.80441	0.5
123.92078	0.5
135.04501	0.6
141.09256	1.4
151.00375	1.2
151.17606	0.6
164.01167	1.1
165.12852	4.7
167.10789	0.8
167.14482	1.1
181.12335	4.4
183.13896	1.1
193.12415	0.7
193.16032	0.8
195.13928	3.7
196.00169	1.2
199.03987	1.0
211.13475	5.3
221.15446	3.2
229.14403	1.0
239.12956	0.7
240.13739	1.4
241.59027	0.6
247.20673	5.3
263.20169	1.1
273.18552	4.6
281.21365	1.4
285.03937	2.2
286.04889	2.3
291.19708	42.0
299.78973	0.6
309.20758	100.0
310.21158	1.0
314.17477	2.5
317.81244	0.6
383.11066	0.7
383.24344	3.9
409.56827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.30832	0.1
62.64898	0.1
87.00845	0.2
87.37612	0.2
88.35937	0.1
90.32921	0.2
110.88798	0.2
123.36382	0.1
160.75099	0.2
160.93495	0.2
348.29800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
85.02052	0.3
101.84900	0.3
121.75016	0.3
135.44611	0.3
239.33621	0.4
269.72601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.0
59.01384	100.0
68.96307	1.3
71.01380	30.6
71.68885	1.1
73.02957	7.1
73.59728	1.3
74.02469	1.7
80.03960	1.2
83.01398	2.1
85.02952	15.9
86.16626	1.4
89.02443	10.8
92.10739	3.0
95.01411	1.5
99.00854	2.1
101.02430	23.0
113.02486	11.8
119.03535	2.4
132.04494	1.5
133.02985	2.3
149.92123	1.3
158.06088	2.0
159.03004	3.3
159.06430	6.2
160.04024	7.0
161.02461	2.9
161.04544	15.9
177.01871	2.0
184.54843	1.4
204.03096	3.2
219.50644	1.5
275.11163	1.3
323.13348	2.1
323.17136	51.9
356.28769	1.4
383.12048	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	383.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.5
65.17573	0.5
74.59852	0.5
76.89051	0.6
78.68777	0.5
115.94604	0.5
146.38257	0.5
175.03526	0.5
231.43279	0.5
231.90378	0.5
301.21753	100.0
302.22177	2.0
303.81732	0.5
320.97430	0.6
383.22095	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01395	2.2
59.08886	0.4
64.79916	0.5
71.01405	1.1
76.57920	0.5
89.02453	0.5
91.04024	1.1
92.10775	1.6
97.06594	1.2
99.08171	0.6
106.04278	0.5
110.94164	0.5
111.08176	0.9
113.09744	2.4
115.07597	0.8
125.06086	1.0
126.06863	0.8
137.42130	0.5
139.11250	0.5
141.09229	2.2
154.09921	0.7
163.11258	0.7
165.12849	3.0
167.14410	3.0
181.12369	4.1
183.13890	1.0
193.12332	1.0
193.16075	0.7
195.13855	2.6
200.46986	0.7
211.13326	4.8
213.14986	0.6
221.15460	2.4
229.14307	0.8
240.13705	1.9
247.20660	6.5
263.20032	1.0
265.21783	0.6
273.18723	4.3
281.21292	2.1
291.19672	47.2
309.20746	100.0
310.21060	1.2
314.17532	1.1
318.48810	0.7
383.24579	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	383.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
59.01379	2.1
61.44043	0.1
68.29189	0.1
71.01393	0.8
72.05573	0.1
72.69756	0.1
72.95586	0.1
73.02942	0.2
79.53795	0.1
81.03463	0.4
83.05026	0.4
85.02950	15.6
87.00874	5.6
89.54949	0.1
90.43096	0.1
93.03459	2.1
99.04523	0.4
105.48962	0.1
109.02950	1.4
111.00883	0.1
111.04517	0.8
114.48573	0.1
127.04012	5.5
137.02432	0.2
145.05070	0.7
155.03543	0.5
168.03085	0.1
171.02980	1.0
173.04572	2.3
191.05627	100.0
192.06010	0.5
396.58243	0.1
409.36804	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	383.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
59.01387	6.1
61.98835	4.6
71.01395	2.4
78.95908	1.5
83.01405	0.7
83.05042	0.5
85.02973	2.4
92.10173	0.5
96.96971	2.5
101.02425	0.9
105.32790	0.4
119.04998	2.8
121.06598	0.7
123.04527	0.8
123.08165	2.9
135.04507	2.1
147.04541	3.5
151.07660	4.6
161.09735	2.5
163.03990	2.9
163.07698	0.5
168.69608	0.4
173.06100	1.7
177.09187	0.6
179.10783	5.5
187.07619	6.1
188.08441	19.0
202.09981	0.9
203.10800	100.0
204.01196	0.4
204.11075	0.4
217.08473	0.4
221.11853	2.0
237.50804	0.4
250.24429	0.4
383.17422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82638	3.2
56.09156	2.4
59.01395	6.8
61.98840	5.3
63.02415	6.9
65.00325	23.6
77.39948	3.0
79.83071	2.3
80.02701	3.9
83.01392	11.7
107.01375	31.4
108.02178	24.0
123.00850	2.7
124.01719	3.3
127.03236	2.5
133.03024	5.5
134.03764	18.2
135.04536	19.3
135.05499	3.3
136.01689	26.5
145.02969	2.7
147.04492	5.2
151.00369	62.0
155.96498	2.7
164.01167	59.7
171.04506	3.4
174.03188	20.2
175.04019	11.4
185.06178	4.6
185.30612	2.5
187.04128	4.8
189.05589	4.1
196.00186	47.7
199.03992	46.1
201.02010	26.2
213.05681	4.7
215.03542	19.8
216.04161	4.3
217.04950	3.2
241.05035	5.0
242.05818	5.9
257.04660	19.6
258.05374	7.0
268.03802	3.9
285.04083	100.0
286.04861	97.4
295.72678	3.2
383.11496	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1139
Annotation	Ophioglonol prenyl ether
Peak:m/z	Relative Intensity
59.01380	4.2
59.08072	1.6
61.98831	3.2
63.02394	14.9
65.00324	23.1
80.02686	2.6
83.01385	14.3
83.17274	2.0
85.53654	2.0
87.04308	1.6
107.01389	36.3
108.02193	28.5
111.00895	2.4
117.84306	1.9
119.05037	2.3
123.00902	2.0
124.01653	2.6
125.02456	7.2
131.04933	1.8
132.41196	2.3
133.02972	3.5
134.03725	21.9
135.04489	21.7
136.01646	28.5
143.05037	4.3
145.02972	1.8
147.04520	11.6
151.00380	61.9
155.05025	8.5
160.01724	2.3
161.02480	3.4
161.06108	2.6
164.01152	56.8
166.01888	1.9
171.04529	2.8
173.02435	2.9
174.03229	25.4
175.04004	15.4
175.95438	1.8
177.01962	6.1
185.06189	2.8
187.04025	11.4
189.05603	6.3
196.00140	45.7
197.06219	2.5
198.03188	7.5
199.04024	45.9
200.04704	3.3
200.66766	1.7
201.01958	26.2
213.05585	4.4
215.03436	17.5
216.04266	3.0
217.04994	8.3
221.37833	1.9
229.05034	2.7
230.05927	2.0
241.05051	13.5
242.05818	9.5
243.02956	3.1
257.04623	22.5
257.50058	1.9
258.05353	8.8
285.04056	82.7
286.04837	100.0
309.20746	4.3
333.12540	2.0
333.97968	1.7
383.11389	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24230	0.5
59.01384	13.9
61.98834	10.4
69.13580	0.5
71.01379	8.7
72.99271	0.7
73.02949	0.5
74.14342	0.5
75.00867	15.8
80.27844	0.4
85.02964	2.6
87.00867	10.7
89.02459	3.4
98.48418	0.5
101.02453	2.8
113.02447	2.4
115.05556	7.2
116.05072	2.9
119.03477	0.5
130.06628	9.8
130.08768	0.8
132.04565	24.0
144.04533	0.9
146.41760	0.5
157.05316	0.5
158.06125	100.0
159.06453	0.7
174.05614	2.7
176.47325	0.5
202.05130	25.9
209.98930	0.6
220.06183	4.9
236.13007	0.5
237.06149	4.0
249.06186	5.5
322.63223	0.5
333.45511	0.6
376.00287	0.6
382.11517	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98861	0.5
64.08004	0.5
88.92539	0.6
92.65877	0.7
117.16093	0.7
129.68132	0.5
149.06064	0.6
211.32620	0.6
322.27478	2.0
375.06360	0.5
380.86725	0.6
395.23352	0.5
395.50052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0773
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
51.70084	0.6
57.13712	0.8
59.01393	1.9
61.98825	1.4
73.86178	0.9
121.02950	100.0
145.02994	1.0
147.04539	1.4
149.02373	1.1
174.39645	0.8
177.70790	1.0
181.06680	4.1
191.03487	8.8
225.05637	7.4
238.14436	0.8
251.07094	1.4
265.21786	1.8
291.19818	5.8
295.06165	8.4
307.22891	0.9
309.20828	4.6
311.09259	10.3
313.07278	14.2
339.08792	11.7
383.07770	21.6
383.24362	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	382.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89556	0.5
58.35233	0.6
59.01381	12.8
61.98832	11.4
62.72825	0.6
71.01390	7.0
72.82886	0.6
72.99309	1.2
75.00873	16.5
83.01394	0.9
85.02966	3.3
87.00864	10.7
89.02433	3.6
92.10750	0.9
92.48385	0.7
99.00814	0.8
101.02434	4.0
113.02446	1.3
115.05545	9.2
116.05048	4.2
117.01888	0.6
119.03536	0.8
119.05021	3.4
130.06615	9.6
132.04546	28.6
139.54926	0.7
144.04529	2.7
157.05350	1.0
158.06116	100.0
174.05615	3.2
177.01984	0.7
185.02367	0.8
202.05124	26.5
220.06114	5.3
237.06180	5.2
237.42499	0.7
249.06294	5.3
277.10556	0.8
382.11499	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63000	0.1
57.03468	0.3
58.76767	0.1
59.01385	2.6
61.45933	0.2
67.01921	0.2
71.01379	1.4
73.02985	0.3
76.06324	0.2
81.03464	0.4
83.05036	0.3
85.02952	15.1
87.00875	6.1
87.01366	0.3
93.03452	1.9
97.02966	0.2
98.45944	0.2
99.00878	0.3
99.04491	0.3
101.02460	0.4
109.02953	1.5
111.00893	0.8
111.04548	0.9
112.98817	1.0
127.04012	5.5
129.01952	0.4
137.02440	0.3
142.99910	0.9
145.05080	0.8
171.03012	1.0
173.00911	0.7
173.04533	2.6
177.07729	0.3
191.05637	100.0
192.06010	0.8
196.51823	0.2
203.85387	0.2
300.54477	0.2
350.90686	0.2
398.20096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79459	0.9
50.83993	1.0
52.38612	0.9
59.01384	100.0
59.79895	0.9
61.38669	0.9
63.03079	0.8
63.82417	1.0
64.99062	0.9
84.18678	1.0
92.65602	1.2
130.51843	1.2
168.95819	1.1
174.99278	1.7
217.00266	5.7
225.14958	1.2
247.09869	1.6
248.10507	1.9
249.07893	1.3
255.02924	2.6
267.05389	1.2
283.02417	1.5
294.17413	1.0
343.24854	4.1
363.44626	1.4
381.09760	2.0
397.94333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23350	1.6
60.50644	1.6
69.92352	1.6
71.44949	1.8
72.99324	2.3
92.10126	4.4
94.29996	2.2
97.06590	12.9
117.19307	1.8
125.06069	74.2
135.56880	1.8
143.07141	56.0
151.03836	1.9
239.03232	2.2
242.03209	1.9
255.23308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
104.85312	26.7
145.35507	24.0
148.75662	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	381.241
Annotation	Unknow
Peak:m/z	Relative Intensity
73.53557	84.7
74.84698	71.8
78.76304	83.9
92.56900	73.6
104.69756	83.1
106.14801	84.8
180.02112	78.4
253.70099	100.0
319.50833	91.5
319.57034	76.2
323.97208	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53821	1.2
59.01382	100.0
59.09085	1.6
61.98822	2.2
63.61563	1.2
67.02582	1.4
78.95943	1.4
83.59647	1.3
97.06595	2.5
97.21799	1.6
105.97598	1.6
217.00345	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	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61968	0.2
59.01384	100.0
77.41853	0.3
92.31376	0.3
141.99734	0.3
209.11813	0.4
211.13373	1.3
217.00304	0.6
291.19720	0.6
309.20767	1.5
343.15805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98843	7.0
79.34005	4.7
89.41954	4.5
96.95986	5.0
103.54826	4.7
187.57274	6.2
189.09787	4.6
209.11971	34.5
211.13364	51.4
238.56934	5.4
264.54248	5.0
345.23004	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	381.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02956	1.2
54.82898	1.3
59.01361	1.3
65.13029	1.5
67.59698	1.8
99.92580	58.5
100.93401	1.7
101.17750	1.6
115.92087	32.0
116.92866	100.0
148.95341	1.5
157.30498	1.8
283.25488	2.1
293.36667	2.0
380.39725	1.8
381.17477	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1922
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
51.21849	0.8
52.55756	0.8
53.81386	0.8
58.00606	5.8
59.01381	8.1
61.98822	9.3
73.02943	1.4
74.88495	1.0
78.95898	5.6
81.59120	1.4
87.04531	1.3
96.96931	8.8
98.86317	1.0
102.94868	1.1
113.06076	4.3
117.95544	1.1
119.61936	1.1
119.65413	1.0
130.66481	1.1
137.02376	1.3
137.09726	4.4
144.49112	1.0
181.08708	1.3
199.09750	1.2
211.13458	1.5
245.19038	1.0
257.15442	10.7
273.18643	6.2
275.16470	2.2
279.86600	1.1
291.19781	1.7
319.19174	2.2
335.18698	40.2
337.20230	2.1
343.11993	1.6
363.18182	32.2
381.19229	100.0
382.19806	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	381.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31858	0.8
56.30011	0.7
59.01387	3.7
59.66295	0.7
76.57706	0.9
115.56570	1.0
191.66425	0.9
217.00191	1.0
218.10353	0.8
299.20178	100.0
381.20450	21.2
381.24866	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	381.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96047	0.3
54.94786	0.3
59.01377	3.6
60.27853	0.3
61.98835	2.2
68.37561	0.3
69.72820	0.3
78.91880	0.6
78.95901	57.5
96.60397	0.3
96.96955	100.0
124.01643	0.3
161.06036	0.3
185.11723	0.4
211.13416	0.3
227.70732	0.3
237.52545	0.3
275.38046	0.4
315.12259	1.6
327.12299	0.6
345.13394	0.5
381.13177	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	380.1567
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01900	1.3
59.01383	30.3
63.19762	0.6
71.01383	46.4
71.05020	11.3
73.02942	1.6
83.01407	1.4
85.02955	4.1
87.00877	0.8
88.04044	6.3
89.02444	14.4
90.86881	0.8
99.04516	4.0
101.02448	10.5
113.02438	3.8
116.07179	1.1
119.03501	4.6
128.07173	3.5
139.92351	0.7
141.91273	0.7
146.08249	83.3
161.04521	1.2
308.13412	7.3
362.14856	2.9
380.15683	100.0
381.15961	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78550	5.9
55.59999	6.7
55.78541	7.1
57.26488	7.4
59.01382	95.7
59.38689	8.8
61.98833	100.0
62.31765	7.9
66.44851	6.4
71.01378	32.5
72.00904	10.4
78.50330	8.5
83.05797	7.7
85.02940	11.4
88.98810	14.5
89.02438	16.0
97.06592	12.5
99.00907	11.2
101.02411	18.2
103.35564	8.2
116.92848	9.2
117.05585	17.6
123.04480	12.8
146.08206	14.4
150.03165	11.9
165.05669	8.1
180.26602	9.8
189.07700	9.6
207.08273	8.5
217.00348	17.7
220.72285	7.9
266.92914	8.0
280.51233	8.0
321.12024	8.5
323.13293	11.0
335.09549	9.3
363.09329	11.2
381.10605	36.3
396.55481	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	381.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
58.00595	1.7
59.01383	76.5
61.26058	0.9
61.98839	6.6
64.47112	1.0
70.76153	0.9
71.01380	30.2
72.99313	1.6
74.32586	1.0
78.95909	1.4
83.01403	1.6
85.02943	10.9
87.00832	1.1
89.02435	35.4
91.72758	1.0
95.01388	1.7
96.96025	6.1
98.95590	1.4
101.02437	21.3
104.92716	1.1
113.02456	10.8
119.03490	14.5
120.53923	0.9
128.05019	1.4
130.06635	7.2
131.03719	2.2
135.04535	1.5
141.04558	1.6
143.03633	1.0
155.06125	2.4
157.07704	100.0
177.38510	1.0
179.05612	1.8
183.29185	1.0
201.06656	16.6
201.48044	1.5
241.47261	1.0
295.69131	1.2
321.11990	2.0
381.13120	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	379.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13676	0.5
58.89782	0.5
59.01383	0.9
60.67140	0.5
61.71033	0.4
61.97810	0.5
65.02836	0.4
70.59473	0.5
73.84286	0.5
77.45849	0.6
101.52798	0.5
109.23624	0.5
136.42375	0.6
154.53667	0.6
193.11899	0.5
211.17097	0.7
221.19153	1.1
223.20694	7.7
239.20232	1.0
241.15750	0.7
243.17343	4.3
261.18491	0.6
263.16339	0.9
263.19913	3.3
269.21201	4.7
275.16330	2.9
277.17740	0.8
279.19467	0.8
282.23376	0.7
289.17914	7.1
291.19449	100.0
292.19550	0.7
293.21014	56.6
307.18903	0.7
337.20013	31.7
338.20407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53687	42.8
51.63002	37.5
59.01380	100.0
61.98837	94.0
66.07915	41.1
75.55450	40.1
76.50780	48.4
79.21584	50.6
80.91710	39.3
83.07759	45.8
102.05352	48.8
114.39129	53.8
126.95807	50.1
127.43621	53.0
153.10486	46.5
308.30728	56.3
380.93750	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30345	22.4
54.82628	24.5
56.22691	22.2
59.01400	100.0
61.98846	35.8
87.87292	24.8
92.10073	55.7
103.90170	30.1
136.01668	30.9
176.08492	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50441	77.5
65.94337	70.0
68.70339	74.9
86.80128	90.0
111.57007	88.0
111.81170	91.3
325.46964	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	379.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	30.0
59.91813	11.1
61.98832	100.0
63.34529	13.5
65.48923	11.6
70.44250	11.9
79.08994	15.9
92.10069	16.2
109.59206	14.9
311.22321	76.7
336.45480	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	379.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12724	6.0
57.96672	6.0
58.00610	6.4
59.01397	28.7
61.98833	9.5
71.01384	13.9
73.02963	8.1
80.01302	6.9
85.02979	7.5
89.84738	6.4
95.05024	46.7
97.06568	6.9
100.01698	13.5
107.03392	8.3
111.08089	7.0
115.50324	7.1
117.07118	15.5
127.07641	14.6
139.07649	10.3
142.46761	7.4
151.11279	26.5
169.08760	8.1
171.10271	100.0
175.32173	7.4
178.03273	7.8
185.11839	30.5
225.11391	11.9
227.12862	14.4
240.43074	7.8
279.19711	7.5
287.16370	10.0
305.17471	11.7
323.18790	8.4
361.20087	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	379.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98827	58.3
72.81580	41.2
75.74553	40.6
76.77360	41.2
209.11876	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97914	17.0
51.65191	15.9
53.69650	20.3
59.01385	100.0
61.98843	36.8
64.34299	19.5
78.70247	16.9
276.03082	20.4
285.05237	21.1
294.53983	24.2
343.15582	32.9
362.60300	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	379.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97914	17.0
51.65191	15.9
53.69650	20.3
59.01385	100.0
61.98843	36.8
64.34299	19.5
78.70247	16.9
276.03082	20.4
285.05237	21.1
294.53983	24.2
343.15582	32.9
362.60300	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	379.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77709	0.4
53.81878	0.4
54.48071	0.3
55.05680	0.4
59.01382	0.9
61.98848	0.5
66.41229	0.5
69.03436	5.7
73.39109	0.4
75.93293	0.4
83.78359	0.4
97.02946	0.9
100.57801	0.4
102.04777	0.5
108.02144	0.5
115.07719	0.5
119.05013	0.9
120.56188	0.4
121.02973	0.5
122.03728	0.9
123.04594	0.6
129.09276	0.5
130.79201	0.4
131.08656	3.1
145.02940	0.7
146.03743	48.9
147.04492	2.3
147.08157	2.1
157.06647	0.7
160.05167	0.5
171.10265	2.0
173.06032	1.0
174.06863	5.1
175.07643	100.0
176.08022	0.7
197.56918	0.5
272.52551	0.5
296.10620	0.6
311.12918	46.3
313.14484	4.1
325.20261	0.6
343.15533	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	378.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83097	1.1
57.21315	1.3
59.01385	30.3
61.98830	31.5
68.95509	1.3
74.43168	1.4
92.36067	1.3
95.55088	1.6
96.43507	1.3
96.96024	11.9
105.50919	1.5
112.04056	100.0
117.05294	1.6
126.05623	28.5
138.05632	13.0
154.05080	7.9
168.06654	13.0
261.39795	1.8
273.90665	1.7
274.09308	10.5
280.10989	1.9
280.14597	1.5
288.10840	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	379.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18757	1.0
55.01892	2.2
57.03456	8.3
58.03006	1.1
59.01387	14.2
67.01913	1.6
68.99823	1.5
71.01383	36.2
71.67116	1.0
72.99320	4.7
73.02954	2.4
75.00876	1.0
77.08908	0.9
77.37798	0.9
78.95893	9.8
83.01404	6.9
83.04993	1.1
84.99336	1.3
85.01019	1.0
85.02971	5.9
85.06612	1.8
87.00890	4.5
89.02444	4.0
96.96008	33.8
96.96941	14.4
99.00880	34.3
101.02438	5.0
111.00877	11.5
112.98818	100.0
115.00359	8.9
124.98828	7.8
129.01920	8.1
140.98398	1.1
142.99872	60.4
145.01485	7.1
173.00931	58.2
173.02084	0.9
173.04465	7.4
175.02527	6.2
176.05630	1.1
191.03545	1.3
205.03555	4.5
222.04143	1.1
231.03174	1.6
263.44504	1.4
314.36444	1.2
368.61798	1.1
379.06876	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	379.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92271	0.9
59.01378	10.8
61.98843	4.4
64.34763	0.9
64.53830	0.8
75.20943	0.9
95.89572	0.8
100.62212	0.9
108.02187	1.5
109.84373	0.9
120.80818	0.9
122.03748	6.7
122.17070	1.1
123.04471	1.7
134.03737	5.3
135.04524	4.0
148.05319	2.1
150.03258	4.4
151.04045	1.5
154.02698	1.6
159.54282	1.1
160.05272	1.3
161.06052	13.4
162.06879	4.4
163.07651	20.7
176.04781	6.5
177.05537	1.2
179.03554	1.8
189.05536	1.6
194.05814	4.7
195.17317	1.1
205.05103	7.2
238.04919	16.8
247.13264	1.1
280.68677	1.2
299.12918	100.0
325.10883	2.4
343.11887	83.6
343.21149	4.8
363.56488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.7
72.40912	0.8
80.91695	3.8
87.23916	0.9
89.53657	0.8
99.92585	2.0
127.11280	1.0
141.12849	10.1
155.14441	5.2
162.70570	0.8
175.38721	0.8
192.04175	0.8
246.11089	0.8
249.22208	10.9
295.22797	100.0
306.00439	0.9
346.45575	0.9
377.23245	4.1
389.23544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59350	0.6
59.01392	0.9
59.44047	0.6
60.10835	0.7
61.98832	100.0
75.30547	0.7
89.37579	0.8
89.58401	0.7
90.21681	0.7
95.47141	0.7
141.37569	0.7
244.97382	0.9
260.95395	0.8
311.40811	0.8
342.23706	1.0
380.90210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83968	10.3
59.01398	98.7
61.98838	12.3
64.34792	11.9
71.01411	23.4
82.79985	11.7
112.51018	12.7
136.01744	18.3
149.02443	27.0
150.03218	100.0
165.05592	70.1
195.06624	16.5
225.11324	13.4
251.16577	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50039	0.7
59.01388	100.0
61.98840	3.2
62.94613	0.8
66.34484	0.7
70.13734	0.7
75.89329	0.6
130.03316	0.8
152.99689	0.9
161.06067	4.0
183.13840	1.0
187.32097	0.8
195.10237	0.8
211.13452	16.9
225.11400	1.0
227.12924	1.2
285.17041	3.8
341.19724	1.2
377.06619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19889	0.7
55.34921	0.8
56.37927	0.9
57.03429	0.9
59.01384	18.4
69.81894	0.8
76.36991	0.9
80.91695	3.8
82.39156	0.7
84.98212	0.7
89.75634	0.7
90.54735	0.8
95.05019	7.4
97.42347	0.9
112.03978	0.8
113.09721	1.4
119.61958	0.8
139.97212	0.8
141.17924	0.9
145.13652	0.9
156.22549	0.8
195.13910	22.1
237.14819	0.9
249.22357	1.5
277.21735	23.1
278.11307	8.8
295.22806	100.0
303.67816	0.9
317.20999	40.9
343.80438	0.9
361.19983	5.5
377.23016	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	377.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13430	0.5
59.01383	7.7
61.98839	1.4
71.01394	2.4
92.10113	1.5
101.02466	0.8
119.04971	0.6
122.03721	2.7
123.04457	0.8
134.03731	3.0
135.04527	4.4
136.85460	0.7
144.88553	0.7
145.02936	0.8
147.04521	9.9
148.05312	43.9
149.06116	1.7
150.03235	5.4
151.03970	1.4
159.04532	1.0
160.05301	30.4
161.06091	22.2
162.03223	20.6
162.06870	1.1
163.04012	23.4
172.05272	3.7
175.07655	4.5
177.05626	7.0
178.06371	1.2
180.04279	19.7
187.07668	1.4
190.06430	1.0
191.07161	2.7
194.05850	4.3
210.05373	1.0
263.07040	1.5
268.07465	1.4
281.08197	13.6
284.10550	8.1
296.10559	16.6
299.12854	17.3
311.12860	13.8
314.11746	1.6
329.13977	100.0
330.14380	1.3
341.13977	4.1
359.15045	6.9
377.16107	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	377.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13536	2.9
57.03472	3.1
57.77381	2.5
57.98224	2.5
58.00610	2.7
59.01397	19.9
61.98857	13.7
69.76839	3.0
70.72218	3.0
71.01383	5.8
71.46087	2.8
72.02169	3.4
73.02966	7.2
84.02216	3.1
85.02967	6.7
95.05033	36.8
97.06603	4.2
100.01692	18.6
111.08132	3.3
113.09793	6.3
115.05492	2.9
115.07681	17.4
127.07669	21.5
139.07664	7.1
141.09140	4.5
149.09714	3.7
151.07610	5.4
151.11340	18.2
163.07643	5.3
163.11298	12.8
169.08719	21.8
171.10263	100.0
185.11824	6.9
199.13383	5.3
207.10257	26.8
209.11786	3.3
213.11317	7.3
225.11395	37.4
227.12888	24.3
235.20757	3.9
240.39107	3.3
261.18643	4.5
279.19687	20.0
285.05676	4.5
287.16461	5.3
305.17676	16.3
323.18741	12.7
341.19708	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	377.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59448	0.2
57.38860	0.2
58.34114	0.3
58.93228	0.2
59.01391	0.5
71.01385	0.3
71.12874	0.2
74.13680	0.2
75.46301	0.2
77.03997	0.3
83.58147	0.2
93.03454	1.8
93.19721	0.2
95.01397	0.9
95.05029	1.1
99.91301	0.2
105.03505	0.2
121.02945	8.4
122.03722	4.5
123.04526	1.1
132.02158	1.2
133.02890	0.4
147.04491	0.4
149.02443	100.0
150.03229	26.9
150.04504	0.4
164.04790	16.3
164.06166	0.5
165.05566	18.4
166.06363	1.9
167.07117	5.2
180.04277	1.5
181.08694	1.0
195.06631	5.6
270.08942	0.5
271.09674	0.3
282.09085	0.3
283.09821	2.8
285.11441	1.0
314.11636	26.3
315.11935	0.4
329.13962	59.5
330.14279	1.4
364.58597	0.3
377.15997	0.3
379.14047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96988	10.4
54.59937	11.5
55.93375	11.2
56.58811	12.2
59.01387	100.0
68.24760	13.1
68.33176	11.9
71.01404	51.2
71.10877	12.5
135.04538	89.4
161.02478	71.2
179.03516	79.4
179.07085	20.9
237.87636	14.5
307.16260	15.6
341.08740	17.1
377.08405	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	377.1428
Annotation	Go 6976
Peak:m/z	Relative Intensity
50.42822	0.4
55.98100	0.4
57.54966	0.4
60.53876	0.5
84.93886	0.6
94.08276	0.5
99.92583	71.4
100.92634	0.7
100.93378	3.6
112.68754	0.6
114.38841	0.5
115.92078	33.7
116.92857	100.0
132.92389	0.5
137.51767	0.5
141.03229	0.5
277.21783	2.5
278.22089	0.7
279.22250	0.6
308.07315	1.1
315.14307	0.8
359.13144	0.7
373.11188	1.0
377.14304	31.3
391.12360	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	377.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53267	0.6
61.67204	0.8
65.93163	0.8
71.01395	0.9
73.21636	0.8
76.57860	0.9
81.05745	0.7
92.10729	1.9
93.03465	4.3
94.99724	0.9
108.07065	0.9
121.02964	6.2
122.03751	12.2
125.60562	0.8
136.01613	1.3
149.01259	1.3
149.02458	43.6
150.03238	100.0
152.64813	0.8
164.04800	7.4
165.05579	76.4
180.04308	6.0
195.06650	34.5
213.69086	0.8
251.92328	0.9
314.11694	8.3
325.08102	0.9
329.13986	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	376.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36509	0.2
55.08658	0.3
59.01388	1.3
61.98840	100.0
62.13027	0.2
63.10576	0.2
64.87887	0.2
71.76440	0.2
102.85420	0.2
110.59566	0.3
172.46172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43042	0.4
59.01385	9.7
61.98800	0.4
64.77841	0.4
71.01392	2.8
76.57437	0.4
78.95903	8.7
79.95728	1.7
85.02959	0.6
89.02458	2.0
91.25111	0.4
96.96008	100.0
96.96927	18.4
101.02438	0.9
112.04015	1.0
113.02443	0.9
115.01521	0.5
119.03460	0.4
136.04062	0.7
138.59099	0.4
146.43130	0.4
151.03957	0.5
151.08434	0.4
173.01280	0.5
184.00081	0.4
242.98178	0.5
279.10800	1.7
317.12643	0.7
341.10764	1.7
377.08096	1.8
377.40891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91952	2.2
59.01390	36.4
68.98395	2.9
71.01388	23.7
78.95909	7.0
89.02443	34.9
91.51614	3.0
96.96957	17.3
97.90755	2.7
98.37862	3.1
101.02481	12.0
113.02453	13.9
119.03487	12.4
134.31563	2.8
173.42807	3.2
179.05606	7.0
215.03253	17.5
254.11069	3.1
285.02264	3.6
341.10910	100.0
377.08646	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
61.98833	100.0
64.43609	0.1
70.06393	0.1
77.50099	0.1
80.49293	0.1
127.00505	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	376.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67707	0.6
54.11728	0.7
58.00583	1.0
58.74451	0.6
59.01383	100.0
61.98830	20.3
63.82971	0.6
71.01380	21.0
71.72284	0.6
80.33229	0.6
83.01415	1.1
85.02966	4.3
89.02441	31.1
95.01389	1.4
95.57364	0.7
101.02431	9.4
113.02457	9.8
119.03488	10.9
131.03470	1.0
134.98993	0.7
161.04541	1.4
174.73096	0.7
177.49463	0.7
179.05629	5.0
332.18237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15631	1.1
57.94163	1.4
59.01385	100.0
61.98832	17.3
62.20004	1.4
71.01376	13.7
82.51068	1.4
85.02909	1.4
89.02457	16.9
90.53008	1.6
96.68420	1.3
101.02428	5.8
101.70262	1.4
113.02444	7.3
119.03511	8.3
143.03485	1.4
153.07616	1.4
179.05583	6.3
192.07562	1.7
221.79102	1.7
376.54520	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	376.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.9
61.98832	100.0
81.83857	0.5
83.81348	0.5
84.00904	9.2
94.51823	0.6
101.46579	0.5
148.23201	0.6
216.71950	0.7
217.90518	0.6
258.89026	0.6
291.19598	1.3
354.48843	0.6
376.17490	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	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57550	11.9
53.53395	13.1
59.01392	21.8
68.46485	14.9
71.63074	11.8
72.42898	13.0
74.59723	11.1
75.50977	13.2
78.19618	15.3
78.95922	100.0
92.10139	14.4
98.32938	13.6
104.76999	14.0
118.44935	14.3
118.57010	16.0
141.90919	14.5
269.97891	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	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.92714	0.5
61.78537	0.5
64.98506	0.5
69.31627	0.6
69.94240	0.6
76.57281	0.8
84.04401	0.6
88.30599	0.6
92.10709	0.9
106.04792	0.7
109.31797	0.7
124.59945	0.7
263.87357	0.7
277.21735	3.8
363.72369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42390	13.2
72.58813	15.3
75.84807	12.7
78.95901	100.0
84.51013	13.6
87.23818	12.6
92.10744	18.2
106.54475	14.5
114.38877	16.1
117.74960	14.3
122.97748	15.1
123.67901	14.9
141.90436	14.5
149.47122	16.4
359.15173	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	375.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.2
61.98838	1.8
68.97075	0.7
70.04903	0.8
71.28265	0.7
75.00880	1.8
81.91405	0.8
82.80849	0.8
90.27361	0.9
92.37237	0.9
96.96957	1.5
97.93146	5.0
98.90688	1.6
100.84933	0.9
114.93412	4.8
122.65754	0.9
154.59067	0.9
156.03096	1.0
276.63605	0.9
277.21741	100.0
279.22244	1.3
279.29153	1.0
372.82779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32465	6.0
58.38794	6.3
59.01381	100.0
61.98846	33.6
76.76025	6.5
88.91389	7.6
158.98164	8.7
174.99283	31.4
217.00311	88.1
222.46893	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	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86304	1.0
56.67036	1.1
57.32339	1.0
59.01392	37.4
61.98838	19.9
80.91696	4.7
95.05026	51.3
95.05611	2.1
98.53796	1.0
150.02933	1.1
174.99243	2.8
182.68262	1.3
189.05411	1.2
195.13934	13.5
217.00340	2.8
223.13382	13.1
246.12277	7.8
250.06862	1.3
256.13260	1.5
275.20197	5.9
278.08292	2.2
278.11377	86.5
293.21259	100.0
315.19489	18.3
338.12296	1.5
375.21558	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
72.99324	3.3
73.02950	4.1
75.43380	0.5
80.91698	2.3
83.02466	0.5
84.02197	0.5
96.22085	0.6
99.92600	2.3
127.03671	0.6
127.88643	0.6
128.10246	0.5
139.11290	4.0
139.29604	0.5
153.12894	2.8
155.46194	0.5
160.99849	0.5
174.68190	0.5
191.18083	3.9
224.14195	0.7
229.59683	0.6
247.20746	3.0
293.21268	100.0
294.21555	0.6
301.16541	0.7
375.21564	3.9
396.97650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.8
59.01382	27.1
59.10771	0.6
61.98858	0.7
63.34441	0.8
66.11669	0.8
80.91687	1.5
97.06599	1.0
113.09725	29.2
121.06596	5.0
129.11237	0.8
135.11781	0.8
139.11284	4.0
149.09689	1.1
153.20158	0.8
154.79100	0.8
167.10739	5.0
179.10791	1.8
195.13953	5.0
217.00162	0.8
217.12125	1.5
235.13255	1.1
247.09552	0.8
247.20674	1.8
249.11240	1.3
249.22232	3.9
272.14008	1.8
275.20062	1.6
275.89221	0.8
279.12082	0.9
293.21265	94.2
301.03067	0.8
304.12738	0.8
315.19458	100.0
316.19897	0.9
319.01349	0.8
322.86807	0.7
325.27423	0.8
350.34888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15907	0.3
53.39137	0.3
55.11419	0.3
60.29051	0.3
60.97505	0.4
74.99068	3.0
78.95899	2.6
93.00111	3.1
96.96992	0.6
149.00986	0.8
159.08467	14.6
161.06404	5.1
192.98244	0.6
209.01283	3.6
210.88036	0.4
217.07257	2.8
225.00705	0.4
274.92844	0.4
275.06131	1.3
277.07541	3.4
289.07486	2.4
291.09131	100.0
292.09113	1.3
309.10199	2.6
357.13797	2.7
359.15399	99.5
360.15628	1.8
375.18488	7.6
375.26471	0.7
377.16479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08614	0.7
54.82599	0.8
59.01394	6.0
61.98841	1.3
71.01399	0.8
72.37345	0.6
73.29592	0.7
83.19485	0.7
108.02212	3.1
109.02216	1.9
109.02957	54.8
113.41074	0.7
114.96270	0.8
114.98086	0.9
121.02959	5.6
122.03711	1.2
123.04469	1.0
124.01691	1.0
128.12161	0.8
136.01657	23.9
136.02620	1.4
137.02451	3.1
145.02979	5.3
146.03766	4.3
147.04506	3.7
151.03999	14.7
158.03769	1.7
159.04526	1.5
160.05386	1.0
161.06139	6.2
171.04523	1.3
172.05295	3.2
173.06027	0.9
174.03227	1.1
175.04022	6.1
175.07692	0.9
176.04749	4.2
189.05536	8.9
190.06355	5.7
191.07123	3.9
209.06093	0.9
211.07735	1.8
217.00339	1.9
221.06097	1.4
223.07660	1.1
227.12947	1.5
239.07144	11.0
249.05595	3.9
250.06355	5.7
251.07185	3.8
261.05588	1.3
262.06238	1.3
266.05908	3.5
267.06631	68.6
268.07022	1.9
278.05948	1.2
279.06628	10.7
282.08978	58.6
283.09338	1.2
294.09076	4.2
297.07925	4.2
297.11310	100.0
298.11707	1.6
312.10049	10.7
315.12454	1.7
327.12418	44.1
345.13586	10.9
375.14944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00808	1.4
55.01877	2.3
57.03438	1.1
58.00601	2.4
59.01382	100.0
61.98841	10.8
71.01376	40.4
73.02946	3.1
83.01386	6.3
85.02934	11.5
89.02438	39.1
89.02937	2.3
95.01376	3.3
101.02430	27.9
111.03876	1.7
111.04697	1.4
113.02455	17.1
119.03519	20.4
179.05573	1.6
183.28479	1.4
217.00320	3.7
316.75156	1.5
357.15576	5.7
375.16650	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.8
56.67051	0.5
57.03453	1.3
58.00589	1.3
59.01380	100.0
61.98834	1.0
71.01378	47.6
71.85265	0.6
72.99319	3.6
73.02929	5.0
83.01379	5.6
85.02935	14.8
85.03384	0.7
87.00889	1.7
89.02436	39.9
95.01400	4.4
96.95998	2.4
99.00886	2.5
101.02433	29.2
113.02452	15.8
114.40103	0.7
119.03497	15.8
126.03251	0.9
131.03520	1.2
143.03520	1.0
149.04657	0.9
161.04567	1.5
162.07924	0.6
174.99191	0.7
177.09232	1.6
179.05655	2.9
195.10495	0.9
201.51195	0.6
217.00301	1.1
286.98489	0.9
297.90454	0.8
357.15714	4.2
375.16678	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86174	0.5
52.45969	0.5
53.41652	0.5
59.01390	9.0
61.98843	8.0
71.01384	6.4
73.40125	0.7
77.90881	0.6
80.91687	8.8
83.96166	0.6
96.30029	0.6
138.15578	0.6
151.38995	0.6
164.08405	0.7
174.99265	0.9
177.09221	6.4
190.09972	0.8
192.11606	10.1
193.12320	0.7
205.12437	4.5
207.13907	0.9
217.00337	3.9
218.09404	2.7
220.14716	48.7
221.15494	100.0
236.10548	74.9
237.10886	0.6
248.22482	0.7
252.60670	0.6
258.08835	0.7
273.45657	0.7
293.17599	33.7
375.17899	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	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.7
59.03769	1.4
66.93021	1.9
69.28970	1.6
74.99119	3.0
78.95921	11.5
96.96982	2.1
118.71661	2.1
138.86488	1.9
159.08464	16.5
161.06427	2.5
209.01253	2.7
278.12604	1.8
291.09122	100.0
359.10974	3.1
359.15375	91.4
375.18561	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	375.1455
Annotation	GGBCE
Peak:m/z	Relative Intensity
50.03859	2.5
56.02082	2.4
56.03635	2.7
59.01385	63.5
61.98866	4.1
63.84525	2.5
65.43932	2.9
65.84837	2.6
70.08801	3.4
106.56739	3.0
108.02208	6.8
109.02950	5.6
119.05052	3.2
121.02983	20.5
122.03773	5.7
123.04530	16.7
135.04549	15.7
137.02362	4.4
138.03293	4.3
149.06023	6.5
150.03195	7.0
161.06059	4.2
162.03287	6.1
162.06824	3.8
163.04037	7.3
163.07597	5.7
164.04825	5.9
165.05569	5.5
166.06331	4.8
169.04863	3.9
174.99261	13.0
177.05580	14.9
178.02623	4.6
179.07205	11.3
180.04295	6.7
193.04996	12.1
217.00296	16.8
221.08223	3.6
271.09714	35.5
283.09766	5.7
285.11285	14.9
297.11371	6.0
301.10760	17.8
313.10999	4.7
315.12302	5.0
325.10510	4.0
343.11935	12.9
345.13385	7.7
357.13519	6.9
375.14560	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	375.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00060	1.1
59.01381	23.6
61.98818	2.8
65.49809	1.4
71.01355	7.2
73.02923	1.5
87.00823	1.5
89.02436	1.6
89.67916	1.2
93.03444	1.2
101.02427	2.5
102.44503	1.3
108.56240	1.3
109.02903	2.7
121.02965	2.1
123.04417	1.6
124.01639	2.6
125.02412	3.0
135.04489	2.2
136.01619	3.2
137.02388	3.3
149.02396	5.9
150.03221	11.9
150.48016	1.3
151.04054	10.9
163.04002	9.7
164.04794	43.6
165.05559	11.6
174.39319	1.2
174.99170	2.2
175.04028	1.8
176.03319	2.2
176.04790	45.0
177.04077	1.7
177.05574	44.4
178.02690	1.7
179.03545	17.8
187.09679	2.3
191.03447	2.4
191.07132	20.3
193.04980	8.2
194.05693	5.0
195.06506	5.7
195.10184	1.7
196.03790	37.0
206.05832	12.1
207.06645	22.9
209.04578	1.4
209.11749	5.6
210.05292	4.4
217.00264	4.7
218.00400	1.5
221.08086	6.8
223.06038	2.1
226.04900	10.9
256.05753	2.5
279.06473	6.0
284.06848	3.2
297.07742	13.2
299.09195	2.6
300.09995	3.0
312.10092	13.0
315.12399	11.8
327.08856	2.3
327.12216	10.8
345.13458	45.0
357.13364	2.8
368.54404	1.2
375.14377	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	375.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03450	2.3
58.00609	7.4
59.01385	100.0
62.68008	1.3
65.21801	1.6
69.44197	1.4
71.01379	50.1
72.99316	3.7
73.02953	3.5
78.95890	1.7
85.02942	12.9
85.71217	1.6
87.00900	8.2
89.02444	57.3
90.02939	1.5
91.60322	1.8
95.01427	7.3
96.96008	7.9
101.02435	20.5
108.02180	2.8
111.00894	11.3
113.02467	16.6
117.03484	10.9
119.03500	19.7
121.02975	2.5
122.03812	3.7
123.04524	4.0
133.02960	3.1
134.03711	21.9
135.04620	14.3
136.04340	2.5
143.03534	1.9
145.02943	37.9
146.03668	12.5
147.04552	8.2
149.02513	6.3
149.06081	14.2
150.03246	10.7
150.06453	2.0
151.06595	2.9
152.04880	1.6
153.00600	1.8
153.01930	2.2
161.02441	57.0
161.04518	6.0
162.03224	49.3
163.04031	2.8
164.04869	2.2
165.05589	16.6
177.05574	16.1
179.05618	9.4
180.04272	11.1
195.06630	19.4
205.03551	2.7
205.84692	1.7
208.55380	1.7
357.11899	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	375.1451
Annotation	(-)-Olivil
Peak:m/z	Relative Intensity
57.39054	0.4
58.68700	0.4
59.01381	66.3
59.32481	0.4
61.63824	0.4
71.71064	0.4
73.02943	14.1
76.56700	0.5
81.65801	0.5
92.10193	0.6
108.02181	6.5
119.05020	6.1
121.02933	9.9
123.04523	7.9
124.01675	3.8
125.02477	0.8
134.03711	1.1
135.04526	31.3
136.05307	14.1
149.06079	0.6
150.03246	2.0
151.04010	6.8
151.07661	9.9
165.05620	3.8
177.05511	0.6
187.30307	0.5
194.05832	13.7
195.06642	100.0
196.07063	1.0
209.08218	55.0
217.00294	0.9
261.13266	0.5
327.77280	0.7
343.11963	0.9
375.14505	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	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86555	0.2
59.01380	2.1
61.98835	100.0
63.99265	0.3
65.90455	0.2
68.53682	0.2
80.55734	0.2
101.28685	0.3
112.01624	0.2
126.68301	0.2
174.99362	0.3
217.00327	0.3
260.98926	0.2
285.38208	0.2
328.16400	1.4
330.15259	0.2
372.77313	0.3
373.04016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85295	0.2
59.01389	1.9
61.00348	0.1
61.98832	100.0
68.74145	0.2
71.00700	0.2
91.39200	0.2
92.10230	0.2
95.37448	0.2
96.01950	0.2
122.37562	0.2
142.37732	0.2
217.00308	0.7
266.28656	0.2
328.16373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98830	100.0
83.77380	0.1
87.93717	0.1
131.25256	0.1
137.00981	0.1
174.99272	0.2
217.00290	0.8
222.23323	0.1
260.91614	0.1
272.74188	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	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84191	0.3
54.82543	0.3
59.01377	0.3
61.98831	100.0
73.10173	0.3
105.00101	0.3
128.35161	0.3
129.92281	0.3
130.33502	0.3
170.95712	0.3
185.73700	0.4
197.64738	0.3
198.64842	0.3
224.97356	0.4
259.04306	0.3
278.36612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96524	0.1
56.07197	0.1
59.01370	0.7
61.98832	100.0
63.74382	0.1
80.61918	0.2
81.67123	0.1
120.17321	0.2
131.89371	0.2
193.48228	0.2
295.47562	0.2
384.13824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14667	1.3
50.61660	1.1
54.93932	1.2
55.01896	1.9
58.00607	3.1
59.01382	100.0
71.01382	47.9
72.99304	1.5
73.02957	2.2
76.13872	1.5
83.01415	1.4
85.02956	12.8
85.80294	1.3
87.00879	7.0
89.02436	60.7
95.01381	2.3
96.96018	2.9
101.02430	20.3
106.29768	1.7
108.02174	1.9
113.02459	17.9
117.03470	13.5
119.03501	18.9
119.05024	2.7
121.03006	2.7
122.03796	1.6
123.04444	1.8
131.03534	1.6
133.02946	5.8
134.03729	8.1
135.04530	19.9
145.02957	43.3
146.03763	13.7
147.04553	12.3
149.02414	8.0
150.03217	9.3
152.04800	2.5
153.05606	3.1
161.02454	44.9
161.04488	3.1
162.03241	55.6
164.04732	1.9
165.05565	14.0
177.05624	16.2
179.05629	10.4
180.04301	12.1
195.06631	19.6
263.54279	1.7
357.11954	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	374.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
61.98833	100.0
79.23952	0.4
111.82330	0.5
174.99290	0.6
188.41713	0.5
214.50763	0.5
217.00294	2.2
337.67206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72300	0.9
59.01382	15.8
61.98832	100.0
63.99272	1.1
65.64939	1.1
67.19707	1.1
79.23444	1.1
92.10197	1.6
94.75481	0.9
112.35322	0.9
174.99225	1.3
217.00380	5.4
224.35576	1.1
322.45453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.6
61.98841	100.0
118.45087	0.6
132.01027	0.7
134.10606	0.7
150.36354	0.8
197.88759	0.8
217.00414	1.5
258.09793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72900	0.2
59.01379	0.9
61.98832	100.0
63.44036	0.1
68.80172	0.2
74.82819	0.2
152.81390	0.2
161.99936	0.2
217.00261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.2
55.46304	1.0
59.01384	100.0
60.01725	1.6
61.98835	8.5
71.01385	22.4
72.99289	1.5
85.02974	4.5
89.02435	26.7
101.02445	6.4
106.06631	4.8
113.02472	9.0
119.03527	8.6
124.07662	1.7
133.06609	6.5
134.06955	5.3
150.09221	1.6
151.07690	5.2
152.08028	4.5
161.04567	1.8
168.06638	2.6
177.01912	2.4
179.05600	5.6
179.67107	1.1
194.08252	1.9
209.93520	1.1
210.07584	1.1
216.68527	1.2
217.00331	1.2
268.12817	1.2
374.14822	7.7
396.69000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2599
Annotation	oscr#24
Peak:m/z	Relative Intensity
51.14521	0.5
51.47000	0.5
52.44352	0.5
57.03462	3.6
59.01389	11.3
61.98845	0.8
69.03483	0.6
71.01398	0.8
73.02972	0.7
83.05049	3.4
89.02431	0.8
93.07085	12.3
95.70709	0.6
97.06593	3.7
99.08150	1.0
111.08144	0.7
123.08094	1.1
129.09215	0.8
134.54593	0.6
148.04063	0.8
153.12856	0.8
155.10733	1.0
166.05110	1.3
168.31982	0.5
169.15952	1.1
173.49367	0.6
185.11777	0.8
186.91708	0.7
195.94684	0.6
211.13393	3.3
213.14980	25.1
221.19061	8.3
239.20111	1.0
265.18152	6.9
283.19174	3.8
283.22836	3.3
295.22870	1.4
301.20239	20.2
313.23895	18.1
325.23907	4.7
329.19611	0.8
343.24945	50.3
355.24982	7.8
358.10254	1.1
373.13071	2.6
373.25992	100.0
374.26129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.3
59.01386	6.4
61.98848	0.7
63.51275	0.4
83.05041	1.2
92.10771	0.5
93.07078	4.8
94.10207	0.5
97.06590	0.6
105.14296	0.5
123.08149	0.8
125.69759	0.4
135.67676	0.5
137.05981	0.5
155.87985	0.5
160.02504	0.6
183.13902	9.9
185.11844	23.2
188.86386	0.5
199.13371	3.1
225.14984	8.7
259.49680	0.6
311.12775	0.6
343.24893	11.5
355.24927	1.9
373.26001	100.0
374.26324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99727	1.0
59.01382	15.6
59.53685	0.9
61.98836	4.2
92.20325	1.1
93.07107	4.9
103.00420	1.1
123.08200	1.1
125.09628	1.4
148.91907	1.0
159.08643	1.2
171.10301	6.1
199.13344	2.0
241.14514	1.3
243.15976	16.0
343.24985	5.3
355.24701	1.1
373.13071	1.9
373.25998	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	373.2602
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.34938	0.8
59.01384	10.7
61.29322	1.0
61.98843	2.1
64.26003	1.0
71.05035	1.4
73.02969	1.2
88.08655	1.0
91.16128	1.0
93.07101	4.0
100.38065	1.2
100.42455	1.1
109.02953	1.1
121.02999	1.4
138.03258	1.5
147.04485	1.0
153.15204	1.2
171.10278	4.5
183.13811	3.2
201.14954	1.6
213.12895	1.1
241.14560	1.2
243.16025	22.0
245.03848	1.1
281.04880	2.1
325.23932	1.4
333.38882	1.2
343.24884	17.3
369.42941	1.1
373.13071	7.0
373.26013	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	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.9
61.98833	1.1
74.33881	0.4
80.91692	2.7
90.40237	0.5
92.10141	0.5
93.03439	3.7
97.06616	0.5
125.06087	0.9
148.08966	1.9
150.10443	0.6
151.11278	0.5
153.36972	0.5
156.34593	0.5
163.11263	1.8
165.12843	28.0
180.68509	0.5
191.14479	0.8
213.09587	0.5
217.16035	0.5
244.10905	4.0
247.20663	15.5
259.79294	0.5
273.18616	8.3
291.19684	100.0
292.20013	1.9
313.17935	13.3
332.09375	0.5
373.19974	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	373.2598
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03453	3.1
59.01385	0.6
61.98841	1.2
65.12693	0.2
69.03470	0.5
71.05025	0.3
81.07140	0.3
81.12400	0.2
90.45053	0.2
97.06589	2.3
105.00742	0.2
111.08160	0.5
113.09748	1.0
123.08154	4.3
139.11298	3.3
141.09244	1.4
157.12364	1.4
165.85344	0.3
167.10861	0.3
167.90370	0.3
185.11838	18.4
201.39023	0.2
203.03931	0.3
214.12152	2.4
215.12877	0.3
232.08327	0.3
267.19836	0.4
327.21848	1.1
343.24631	0.4
355.25131	1.8
371.24426	1.9
373.25992	100.0
374.26343	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	373.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96711	0.3
53.46904	0.3
59.01386	100.0
64.34393	0.5
71.01392	1.9
73.02969	0.9
82.33659	0.4
85.02987	0.5
101.02436	2.0
113.02451	0.7
113.04289	0.4
128.38037	0.4
132.05769	0.5
133.06596	63.2
134.06926	0.4
151.07661	49.0
161.04594	3.5
171.53574	0.4
208.96263	0.5
211.06386	0.5
313.12790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18191	2.0
50.18907	2.1
52.76374	2.4
59.01393	13.3
59.73781	2.3
61.87394	2.1
61.98846	15.5
71.01395	12.5
73.02962	12.5
82.91875	2.1
85.03014	2.4
97.97715	2.4
101.02426	23.1
108.13931	2.9
113.02446	6.0
117.13206	2.5
161.04568	10.5
183.13904	12.1
211.13416	100.0
222.05261	4.0
308.58347	2.6
309.79010	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1873
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
56.08928	1.3
59.01383	100.0
69.17213	1.4
71.01402	3.7
78.40204	1.4
125.98267	1.3
139.43835	1.6
146.95927	3.0
148.04089	1.9
165.12943	1.6
166.05037	3.1
211.13406	11.3
213.14935	2.3
301.20239	6.3
313.23837	2.1
343.24915	9.3
373.13327	1.8
373.18805	13.8
373.25964	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1294
Annotation	5,7,2',3',4'-Pentamethoxyflavanone
Peak:m/z	Relative Intensity
59.01383	38.1
65.43198	0.7
79.95750	1.2
80.96622	0.6
92.10126	1.5
108.02195	4.3
119.05029	9.9
121.02970	15.8
121.06566	1.0
123.04488	5.2
124.01657	1.4
134.03725	13.1
135.04524	20.9
136.05298	100.0
149.02437	1.4
149.06087	21.2
150.03207	3.5
151.04037	6.7
151.07651	23.7
161.02391	0.8
165.05580	3.6
177.05585	16.1
195.06638	81.6
343.11853	15.8
373.12958	63.8
373.26022	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	373.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.5
71.01423	1.2
72.79937	0.8
79.82276	1.0
82.59890	1.0
92.10799	2.1
93.03445	3.0
101.53870	0.9
108.02181	5.1
109.02958	1.9
119.05001	1.2
121.02957	35.8
123.04523	3.8
135.04546	7.4
139.21962	1.0
145.02930	5.7
146.03777	1.9
147.04543	13.3
148.05305	1.2
159.04515	4.3
160.05336	2.2
161.06073	2.0
162.03244	1.0
162.06804	1.7
162.89372	4.1
175.07716	1.4
179.07155	1.3
194.05870	4.7
197.06117	1.7
209.06148	1.1
211.04208	1.2
211.07623	3.8
212.04887	1.4
213.05659	1.5
222.06960	1.0
225.05562	5.1
225.09135	2.0
227.07063	1.2
233.35706	1.0
236.08369	1.3
237.05637	4.5
238.06372	2.1
239.07108	8.2
240.04330	5.1
241.05057	5.6
241.08728	5.9
250.06456	1.5
251.07152	4.2
252.07869	2.2
253.05093	5.7
253.08696	7.6
254.05865	5.3
255.06619	12.7
256.07382	1.0
263.07141	2.3
264.07965	2.0
265.08704	1.9
267.06647	23.6
267.09668	1.7
268.07425	18.9
269.08212	55.3
280.07407	13.4
281.08224	17.2
283.06589	1.3
283.09769	36.9
284.10452	12.4
295.09756	16.3
296.10422	4.7
299.12830	1.9
311.09314	21.1
311.12723	1.8
323.09277	1.0
325.07272	4.9
325.10834	1.2
328.09521	14.1
329.10291	1.5
329.13998	5.2
340.09561	28.3
341.10086	1.0
343.11911	100.0
344.12247	1.2
355.11908	49.8
373.02084	1.2
373.13333	1.6
373.26019	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	373.1297
Annotation	Annulin C
Peak:m/z	Relative Intensity
56.04242	1.4
57.20221	1.4
59.01394	20.5
71.01404	3.4
83.01385	1.7
85.02982	3.5
87.00871	3.0
88.14640	1.4
94.66625	1.4
95.01413	2.3
100.38414	1.6
101.02439	2.4
108.02178	12.3
109.02948	12.1
111.00922	2.4
115.00381	9.8
121.02944	2.4
123.00876	14.3
123.04510	5.8
124.01685	10.1
134.03749	3.2
135.04535	6.4
136.01694	3.3
137.02460	3.2
145.02956	2.5
147.04543	28.5
148.05325	46.1
148.06444	2.8
149.06099	10.7
150.03183	5.3
151.04021	7.1
159.04558	7.2
160.05309	45.2
160.83620	1.4
161.06081	49.1
162.03227	18.7
163.04007	42.9
165.05589	2.3
173.02495	1.8
174.03261	1.9
175.02504	8.4
175.03926	3.5
175.07698	5.7
176.04826	1.6
177.01956	1.7
177.05542	17.5
179.03561	1.8
180.04295	20.3
187.04018	2.9
188.04825	7.4
189.05614	2.1
191.03554	3.6
194.05847	2.5
200.71146	1.4
204.04288	21.4
205.05067	47.5
207.02995	2.5
219.06645	11.9
221.04588	5.7
224.03346	8.6
235.86493	1.8
242.97333	1.6
254.04384	6.5
281.08273	17.8
296.10489	15.8
298.08420	17.7
299.12857	20.9
310.08301	1.7
311.12778	15.7
313.10767	42.7
324.59119	1.5
325.10901	1.8
329.13962	60.3
343.11917	6.9
355.12054	3.5
358.10681	6.4
373.13022	100.0
373.18530	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	373.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98838	40.2
67.25214	6.6
67.54578	6.8
71.01375	49.1
75.35674	7.1
81.22457	7.0
85.03021	8.0
85.91100	7.0
89.02461	62.0
101.02429	12.2
113.02460	44.7
119.03522	15.7
121.02953	7.8
123.04525	13.6
134.03645	10.1
155.07159	8.0
167.03506	13.4
167.07130	16.6
179.05608	67.3
187.73227	6.6
193.05083	17.0
193.46115	6.9
211.06100	32.3
324.26935	8.4
335.13504	36.0
373.08691	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	373.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44407	2.4
52.14411	2.8
57.06989	2.2
59.01384	55.2
62.69089	2.5
63.00948	2.3
64.32456	2.6
71.01404	17.1
85.02969	5.5
88.15180	2.6
89.02458	17.3
92.10114	3.0
95.01436	3.2
96.96024	13.4
101.02480	11.5
108.02195	19.8
108.45981	2.6
109.02965	3.1
111.00836	4.9
119.03480	5.8
123.00916	5.7
123.04536	7.1
124.01703	3.3
134.03745	11.7
136.01691	19.5
149.06151	3.5
150.03278	15.5
151.00264	4.1
151.04005	27.8
160.84239	4.9
162.83911	27.7
168.46249	2.9
178.02715	82.1
178.99857	4.0
186.32021	3.3
193.05070	100.0
211.06216	7.1
373.07495	5.1
373.11533	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22677	0.5
61.98831	100.0
63.34614	0.5
79.41703	0.5
81.75655	0.6
276.52783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19019	0.1
61.98832	100.0
72.77595	0.1
91.77208	0.1
92.10033	0.2
117.27966	0.1
137.30988	0.1
144.23009	0.1
146.87859	0.1
187.14120	0.1
193.81075	0.1
241.70808	0.1
268.66565	0.1
276.61896	0.1
309.73132	0.1
371.05331	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	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34489	0.1
54.83039	0.1
55.13029	0.1
59.01383	0.3
61.98829	100.0
65.87646	0.1
106.27325	0.2
117.26389	0.2
132.45868	0.2
152.19537	0.1
157.39133	0.1
158.93153	0.2
172.12947	0.1
207.93756	0.2
249.15952	0.1
392.45334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82385	73.8
56.20943	70.0
64.27893	75.6
70.15352	83.2
76.17999	69.9
121.48862	74.9
215.25418	100.0
304.13797	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48780	47.5
57.13498	47.0
59.01385	66.1
61.98847	100.0
92.10760	90.1
92.39454	53.7
131.12048	58.1
179.42938	60.2
218.30106	75.7
245.67287	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.9
55.76832	1.0
57.03463	5.9
58.00603	1.8
59.01384	100.0
59.22257	1.3
61.98844	1.8
65.60797	1.0
68.97414	1.1
71.01379	59.6
72.99301	3.0
73.02946	16.2
83.01383	15.5
85.02950	30.4
87.00894	1.7
89.02439	32.1
95.01379	3.0
98.64125	1.3
99.00884	7.3
101.02438	49.7
104.53683	1.3
113.02450	19.7
119.03498	17.6
143.03519	1.4
161.04584	6.5
209.11887	7.2
212.41382	1.4
242.24684	1.4
299.18726	2.2
371.12253	3.1
371.17163	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43949	0.8
55.01882	10.6
55.45792	1.1
59.01387	1.8
71.01391	1.3
73.02950	6.7
78.95911	8.3
80.96329	1.8
90.90680	1.0
96.96960	1.2
99.00884	64.8
117.01907	7.6
171.94508	1.2
188.89572	1.3
225.22148	1.3
228.48627	1.2
235.13551	2.0
237.05200	1.2
260.13794	1.4
271.22824	100.0
365.64209	1.2
371.24652	8.2
371.31754	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	371.2593
Annotation	Nabilone
Peak:m/z	Relative Intensity
53.73154	1.8
59.01393	2.4
62.89428	2.2
65.63314	2.0
103.64803	2.5
121.40218	2.1
280.26294	2.6
327.27045	10.2
339.23206	2.5
353.24811	3.3
371.25983	100.0
371.30740	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1717
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
55.01889	12.1
57.03450	8.3
57.38639	0.7
58.00600	1.4
59.01384	76.5
71.01380	75.3
71.05020	3.6
72.99319	1.9
73.02945	21.0
75.00864	0.9
77.46894	0.8
77.99803	0.7
83.01386	17.7
85.02951	45.6
85.03462	1.8
85.44978	0.8
87.00875	1.5
89.02437	17.1
95.01378	7.0
97.02939	1.2
99.00864	9.1
101.02441	46.4
113.02455	25.4
119.03483	7.1
149.67343	0.9
159.02974	1.6
161.04572	9.5
165.12753	1.0
168.35547	0.8
178.62106	0.9
209.96457	1.0
227.84843	0.9
288.93536	0.9
327.18176	1.3
371.17163	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	371.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	12.3
57.03451	6.3
58.00602	1.2
59.01382	76.4
59.67925	0.6
61.98847	0.6
67.58568	0.5
68.99838	0.5
69.03438	0.5
70.06744	0.6
70.07130	0.5
71.01379	54.9
71.97501	0.6
72.75983	0.6
72.99310	3.7
73.02943	14.3
73.31750	0.5
73.54683	0.6
75.00941	0.5
83.01379	12.8
83.31617	0.6
85.02945	29.8
85.29467	0.7
86.00104	1.0
87.00893	1.4
89.02437	22.3
92.10160	1.3
92.66621	0.6
95.01373	4.7
97.02941	0.8
99.00884	5.5
101.02435	41.2
111.00903	0.7
113.02453	17.1
119.03500	8.4
119.81776	0.7
134.73700	0.6
143.03508	0.8
144.84351	0.7
159.03006	0.8
159.75793	0.6
161.04536	5.2
166.90846	0.6
191.10870	1.4
220.07521	1.2
225.32487	0.6
271.95724	0.6
317.14056	0.6
335.15140	3.8
349.78116	0.6
371.17160	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	371.1715
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
55.01887	10.1
56.99165	0.5
57.03459	6.6
58.00601	0.7
59.01384	36.7
60.18399	0.6
61.94980	0.5
61.98846	0.5
69.03454	0.7
71.01379	59.6
71.05029	3.5
72.99294	1.2
73.02940	20.2
75.00886	0.7
79.64500	0.5
83.01389	14.4
83.05045	0.5
85.02954	39.1
87.00876	2.5
87.33787	0.5
89.02453	4.6
95.01387	6.3
96.96036	0.8
99.00877	7.5
101.02435	35.9
109.06609	0.6
113.02450	20.8
114.73354	0.6
119.03495	0.8
125.02468	1.1
127.52571	0.6
143.03494	1.1
159.03008	1.1
161.04555	5.5
165.45421	0.7
234.97397	0.6
327.18149	0.8
345.27866	0.7
371.17166	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	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.1
59.01382	5.9
59.25840	0.5
61.50956	0.5
62.45059	0.5
67.01896	2.9
71.01396	2.7
83.05010	1.0
83.85677	0.6
85.02945	14.8
85.32466	0.5
87.00880	4.1
93.03454	14.4
99.00880	0.6
109.02960	1.5
111.00881	1.3
111.04522	2.9
119.05032	8.9
121.02934	5.7
122.03732	32.7
124.01651	1.3
127.04013	3.2
136.01657	3.1
137.02452	6.8
137.06032	1.0
149.02429	0.6
150.03223	25.9
153.01932	5.8
154.02737	5.0
155.03452	1.3
163.04045	4.5
164.08386	5.0
165.05531	3.6
165.95558	0.6
173.04553	19.4
181.08665	1.0
182.05856	77.7
191.05618	49.1
194.02220	21.9
197.08206	100.0
198.08632	0.7
209.04576	34.4
265.59470	0.6
371.09674	1.2
371.13797	1.1
383.51843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38631	0.4
54.05344	0.4
54.05885	0.3
59.01384	100.0
71.01375	0.5
72.99271	0.4
89.02470	0.4
103.05545	1.0
130.04250	15.0
131.05029	64.8
149.06094	83.1
150.06496	0.4
165.05464	0.5
191.53490	0.5
200.95345	0.4
209.04723	0.5
243.02461	0.4
292.83813	0.4
311.11810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29020	0.4
52.83388	0.4
55.01873	5.7
57.03458	2.4
58.00603	2.9
59.01383	100.0
71.01379	47.3
71.01775	1.3
72.99310	3.0
73.02950	6.3
73.04324	0.5
82.74567	0.5
83.01386	8.1
85.02946	19.2
87.00896	2.3
89.02436	41.2
92.10817	1.1
95.01378	6.4
99.00889	2.4
101.02438	28.4
101.03095	1.0
108.02178	0.7
113.02455	17.0
119.03490	14.9
123.04565	0.7
125.02428	0.8
131.16429	0.6
149.04533	0.9
161.04489	1.3
179.05624	0.8
191.10765	3.8
217.05136	0.6
280.57455	0.6
346.27875	0.6
353.09802	0.8
353.16248	0.8
371.17154	87.9
372.17404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1139
Annotation	Naphthgeranin C
Peak:m/z	Relative Intensity
57.03463	1.5
59.01390	9.2
59.97089	1.3
61.36640	1.5
70.07372	1.5
74.35585	1.4
78.95938	1.9
88.98813	1.5
119.05007	3.5
121.02980	9.1
133.02911	1.9
134.03694	1.8
145.02965	3.0
147.04526	15.9
148.05269	13.5
152.99417	2.3
161.06033	3.2
162.03201	2.6
167.08636	1.8
176.04831	2.1
181.08707	1.8
191.03510	23.3
191.07181	11.9
192.04311	3.5
193.06651	2.5
195.08138	12.5
196.05309	1.7
197.06012	1.9
206.07378	2.4
207.08119	12.7
209.06163	3.6
211.07765	10.9
220.03748	2.4
221.06047	13.7
222.06841	6.9
223.07684	15.3
224.04893	3.5
225.68398	1.6
233.06166	3.3
234.06940	2.2
235.07866	14.4
237.05569	11.9
238.04756	3.5
239.07140	31.0
248.04747	2.1
249.05557	17.8
250.06332	14.6
251.07149	72.5
252.07697	2.6
261.05588	3.0
262.06342	7.4
263.07120	31.3
264.07846	7.7
265.05072	2.9
265.08722	3.0
266.05847	7.4
267.06644	100.0
268.07330	3.2
277.05103	2.3
278.05896	2.6
278.09485	2.2
279.06653	60.7
281.08197	3.3
282.08972	33.1
293.04810	2.5
293.08170	2.7
294.05365	16.1
294.08981	13.2
295.06155	34.9
297.11380	9.1
307.06281	15.4
308.06696	2.1
309.07840	23.9
309.11276	2.9
310.08481	9.6
310.78311	1.6
311.05606	9.3
321.07840	2.4
322.08612	16.7
323.05661	57.7
323.09116	4.5
326.07993	26.5
327.08792	2.3
337.07300	3.5
338.08005	47.1
341.10327	84.2
353.10336	92.5
353.14740	3.4
371.11279	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	371.0987
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
57.03473	1.3
59.01399	5.0
61.98837	5.5
64.34666	0.7
71.01383	21.6
72.99328	1.0
73.02947	14.3
75.00891	1.4
85.02960	9.6
87.00876	69.1
88.98788	0.9
89.02480	1.2
96.96034	1.4
97.02953	1.3
99.00912	0.8
99.04539	1.0
101.02450	3.7
109.02965	3.9
113.02477	2.8
116.02914	0.8
121.02984	1.3
127.04008	1.0
131.03471	0.8
134.03769	1.6
135.04541	1.7
136.01666	34.4
146.03734	4.9
147.04579	1.0
148.05362	1.0
149.06105	1.9
151.04016	30.8
161.02383	0.9
161.06084	1.2
162.03256	1.2
163.03999	1.1
164.04836	3.3
165.05516	1.4
174.03241	1.2
175.03998	3.4
176.04776	1.2
177.05521	1.5
179.07172	3.3
192.04424	1.0
204.04301	2.9
207.06638	1.3
219.06630	3.9
231.06766	1.0
235.06120	3.1
243.06767	0.8
327.11090	1.2
371.09882	100.0
372.10278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98832	100.0
64.92143	0.1
66.94852	0.1
83.46197	0.1
91.39050	0.1
92.10767	0.3
121.02934	0.2
137.63797	0.2
165.68867	0.2
185.68251	0.2
195.32324	0.2
312.58972	0.1
318.34543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27307	0.2
59.01385	0.7
61.98833	100.0
63.12576	0.2
67.22681	0.2
67.27890	0.3
81.62237	0.3
90.37579	0.3
111.53134	0.3
204.62813	0.3
291.39038	0.3
325.83740	0.3
330.35532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20558	0.4
61.98830	100.0
80.49021	0.4
101.26971	0.4
156.54684	0.4
199.72536	0.5
223.94028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08722	0.2
59.07594	0.1
61.03389	0.2
61.98839	100.0
63.36343	0.1
63.40055	0.1
65.10653	0.1
65.51025	0.2
69.16019	0.1
74.12676	0.2
81.97292	0.2
111.88054	0.2
121.02953	1.0
143.19926	0.2
148.68529	0.2
337.25204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09516	0.3
61.98834	100.0
70.64992	0.3
78.48510	0.3
78.93594	0.4
91.99052	0.3
92.10102	0.8
97.25777	0.4
102.95637	0.4
110.64404	0.3
268.51538	0.4
296.44202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15655	0.6
58.39063	0.8
58.68933	0.7
59.01390	100.0
61.98827	1.2
76.17232	0.7
76.26875	0.7
99.92606	1.2
115.92108	1.3
223.71393	0.8
349.93762	0.8
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	Deacetyl asperuloside
Peak:m/z	Relative Intensity
52.83265	0.4
53.78114	0.4
59.01383	3.1
63.32854	0.5
71.01393	0.9
74.51713	0.5
78.45285	0.4
85.02961	3.0
88.81712	0.5
93.03461	3.2
95.03936	0.4
103.78709	0.6
109.02996	0.7
111.00862	0.6
119.05003	6.1
121.02926	0.8
122.03739	7.7
136.23416	0.5
137.02426	4.8
149.02412	3.4
150.03229	79.9
150.19820	0.6
153.01938	15.1
154.02701	0.7
155.03494	2.3
157.24165	0.5
163.03955	3.4
164.08435	3.4
165.05571	12.9
166.02672	1.1
173.04584	4.0
181.08788	1.2
182.05829	14.2
191.03729	0.6
191.05634	3.0
194.02211	64.8
194.87949	0.6
197.06482	1.0
197.08212	18.7
201.55484	0.4
209.04572	100.0
210.04869	0.6
225.04945	0.4
307.80368	0.5
371.09879	3.3
371.13904	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	371.0987
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.14665	0.7
54.61438	0.8
56.05100	0.7
57.03438	0.8
57.26943	0.8
59.01387	5.7
59.10059	0.8
60.99306	1.6
61.98820	1.1
69.03410	1.1
71.01369	9.9
72.99314	2.1
73.02953	6.7
75.77383	0.7
85.02940	7.9
87.00873	85.2
88.98814	8.0
89.02415	1.3
91.44868	1.0
97.02937	1.4
99.00880	1.1
101.02435	1.8
104.09911	0.9
108.02191	1.0
109.02977	1.7
111.00913	3.4
113.02467	4.1
120.08907	1.0
131.03459	0.9
134.03731	11.7
134.04646	1.6
135.04510	7.1
136.01672	17.8
146.03766	10.0
147.04546	2.0
148.05305	2.0
149.06076	29.3
151.04027	16.4
151.64426	0.9
158.03799	1.3
161.02443	1.5
161.06105	1.7
162.03198	4.2
163.03944	7.6
164.04787	14.9
172.05283	1.6
174.03265	1.4
175.03975	4.2
176.04733	2.2
177.05582	4.1
179.07127	15.5
189.05568	1.6
191.07057	1.3
192.04187	1.8
204.04247	1.6
207.06693	4.2
216.04182	3.0
219.06657	6.4
231.06641	3.8
235.06123	43.2
277.78735	0.9
295.08276	12.3
341.06375	1.0
352.50198	1.1
362.12915	1.0
371.09869	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	369.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99550	1.3
58.63880	1.2
59.01381	9.2
61.98846	1.5
62.25538	1.3
62.47119	1.5
64.35090	1.7
64.36317	1.3
71.06977	1.5
75.00882	7.0
78.95911	3.1
79.84032	1.4
83.39030	1.5
92.10133	8.7
96.96970	7.0
122.92560	1.6
225.22206	7.7
268.46701	1.7
271.22806	100.0
272.23083	3.1
304.61673	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	369.2198
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
51.63624	0.3
52.53752	0.2
58.97447	0.2
59.01379	0.4
61.40195	0.3
61.98821	0.7
65.06216	0.3
78.95899	100.0
92.94327	0.3
95.96154	1.6
95.96713	0.3
96.96953	26.9
127.11095	0.3
140.10078	0.3
293.08609	0.3
369.22028	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	369.2436
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
51.17339	0.5
54.82751	0.5
59.01397	0.7
87.58913	0.6
96.96896	0.6
103.23103	0.5
104.02681	1.1
115.92039	0.9
118.89968	0.8
118.95737	0.5
133.10223	3.3
133.57022	0.6
147.08154	0.9
156.78403	0.7
161.09746	1.2
163.11292	100.0
164.11629	0.7
179.10783	21.9
193.12343	21.8
208.11255	0.6
220.11812	0.7
251.20053	1.0
279.13828	0.9
288.55762	0.6
289.15051	0.7
337.21774	13.3
369.24374	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3012
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
61.08141	1.1
61.98829	1.3
67.88122	1.0
83.05048	1.1
87.30257	1.1
92.10742	2.1
94.13569	1.1
125.72236	1.3
132.03171	1.2
193.12338	6.4
248.34190	1.3
251.20753	1.5
257.80219	1.3
258.00339	1.4
305.28510	2.2
307.30087	83.3
325.31131	1.4
351.29056	20.6
369.30142	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	369.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84202	9.0
57.03455	11.9
59.01385	100.0
61.98857	9.1
68.06300	9.4
71.01416	10.9
81.64147	10.7
85.02974	64.3
90.80509	9.8
96.77223	12.5
111.00900	17.6
125.02444	14.5
141.09279	20.9
160.84189	9.4
170.97083	10.8
179.70377	10.1
239.87494	11.2
309.20840	43.3
356.76959	11.6
369.22864	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1816
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
53.60044	2.4
54.27683	2.5
57.36121	2.4
57.86598	2.3
59.01367	4.0
59.49490	2.4
61.98829	3.1
69.72610	2.8
70.68837	2.8
73.34735	2.5
75.28129	2.8
81.15778	2.8
85.44589	2.3
89.35301	2.2
97.02984	4.5
101.73106	2.4
127.07564	2.6
131.06023	2.5
148.08989	3.0
197.11891	3.2
211.13347	5.7
253.75012	2.7
262.11786	5.0
293.21179	4.5
311.22330	27.3
329.15869	2.7
331.18878	10.7
369.18155	100.0
369.22696	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	369.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82511	4.1
59.01382	5.0
61.98834	5.5
65.43295	4.3
69.34032	5.1
82.62762	4.5
86.03103	4.5
98.51292	4.6
127.04423	5.0
181.12379	5.1
187.43739	4.9
197.11873	7.5
207.60352	4.8
211.13428	8.9
225.92282	5.9
266.52942	5.5
293.21170	6.9
311.22299	40.6
369.18210	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	369.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06820	1.3
54.17463	1.2
54.67559	1.2
54.82561	1.9
55.01888	10.6
56.09209	1.3
57.03455	26.5
57.57985	1.3
59.01384	43.0
59.01659	2.9
61.98833	2.2
65.82040	1.5
69.03448	1.6
71.01379	29.4
72.99321	2.9
73.02948	3.6
75.00883	3.3
83.01391	18.1
85.02950	100.0
87.00894	2.4
89.02436	17.4
99.00880	3.7
101.02427	19.0
104.76377	1.5
111.00893	27.8
113.02442	10.9
119.03499	3.3
119.04985	12.8
127.00291	1.9
129.01945	23.9
132.02180	20.8
134.03738	34.8
143.03465	1.5
145.06572	1.9
149.06105	7.4
155.16414	1.7
160.01663	95.7
161.04518	7.1
163.04033	10.6
163.24170	1.9
166.06416	1.8
175.04004	79.9
177.01935	3.5
191.05592	1.6
193.05043	29.4
203.77382	1.5
205.03548	27.4
207.06715	2.4
223.04617	46.0
369.07593	3.1
369.11966	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25973	1.3
58.66313	1.6
59.01107	2.3
59.01384	46.9
59.01654	2.8
59.02341	1.4
61.95155	1.4
61.98819	2.2
64.99183	1.9
69.03459	2.6
76.17908	1.6
85.02917	1.8
90.05758	1.7
126.98902	1.8
129.95911	1.6
132.98183	2.0
160.88074	1.6
167.14351	1.8
173.65602	1.6
174.99243	10.1
183.13953	14.8
193.12340	2.0
211.13422	63.7
265.07614	9.0
267.09088	11.2
279.09015	3.1
288.20056	1.7
309.07178	2.6
309.10217	73.7
323.11850	2.2
369.12360	100.0
371.73288	2.0
377.59116	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	369.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.9
57.03447	18.2
57.93670	1.0
59.01382	100.0
60.99317	1.3
61.98840	6.6
67.01920	1.4
71.01375	34.2
72.99318	2.5
73.02943	9.2
78.95895	2.5
81.03477	1.4
83.01389	10.1
85.02948	64.6
87.00882	2.1
88.98800	13.2
89.02453	8.0
93.03513	1.2
96.96947	1.4
99.00861	6.1
101.02430	19.9
111.00880	16.9
113.02418	13.8
119.03473	2.4
119.05008	9.3
125.02475	2.1
129.01935	16.0
133.05060	4.9
143.03456	1.7
145.02985	1.5
145.18172	1.5
147.06686	2.8
161.04550	16.3
163.04033	6.8
205.03540	12.0
216.61136	1.3
223.04564	19.1
235.08284	9.2
259.08252	1.6
267.68552	1.4
270.17114	1.5
277.09259	12.6
309.15729	15.4
333.11917	1.7
369.08270	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	367.2129
Annotation	Spirocardin B
Peak:m/z	Relative Intensity
56.42298	0.6
59.01385	100.0
61.98833	0.6
80.91702	0.9
92.64912	0.6
159.62650	0.7
192.10780	0.7
203.76505	0.7
239.20274	0.8
245.19249	1.0
289.18121	2.6
307.19104	4.9
325.18750	0.8
331.19080	4.2
367.19833	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	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80861	0.9
55.01895	11.8
55.44114	0.9
57.03457	31.3
57.03716	1.5
59.01393	5.3
61.98853	1.1
67.01898	1.5
67.90974	0.9
71.01381	8.4
72.99323	4.3
73.02953	3.8
73.40162	1.1
75.00891	2.4
78.55035	0.9
83.01398	11.9
84.02184	2.1
85.02960	100.0
90.59994	1.0
96.96015	1.6
100.11330	1.0
101.02449	7.3
111.00889	35.5
119.05017	19.2
125.02472	1.2
129.00970	1.3
129.01932	37.2
135.98436	1.0
145.03003	2.2
163.04060	11.2
187.02565	1.9
205.03555	24.3
223.04605	40.4
275.07626	1.0
369.08319	1.7
387.36404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06305	0.7
55.01882	7.5
57.03455	27.9
59.01390	9.0
61.98842	0.9
67.01917	1.1
71.01379	11.1
71.35918	0.8
72.99332	3.8
73.02950	1.7
75.00877	4.2
83.01396	13.4
84.02171	1.2
85.02955	100.0
87.00886	1.4
99.00907	1.4
101.02438	9.1
103.00372	1.2
103.03946	1.0
111.00896	38.6
116.01391	1.0
119.05035	10.5
129.01949	32.8
147.03038	5.8
161.04572	2.2
163.04019	6.5
179.88231	0.9
187.02448	1.7
192.00682	3.9
205.03571	33.6
207.03003	1.1
223.04620	97.6
294.58801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	10.4
57.03462	32.7
59.01394	5.0
60.26517	0.7
64.26328	0.8
64.34245	1.0
68.63018	0.9
68.64826	0.8
71.01394	7.3
72.99321	1.3
73.02939	1.3
75.00881	1.9
83.01389	12.5
83.43686	1.0
84.02189	1.2
85.02959	100.0
87.00900	1.1
90.34518	1.0
101.02458	6.5
111.00879	25.9
119.05021	16.4
129.01949	34.0
132.02164	1.0
134.03738	3.7
145.02948	2.1
147.04494	0.9
155.91548	1.0
160.01691	5.5
161.04591	4.7
163.04041	10.1
175.04015	6.2
187.02463	1.9
193.05008	1.7
205.03519	19.7
223.04619	35.0
223.06743	1.8
283.62033	1.0
317.97220	0.9
347.01413	1.2
369.11957	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	367.1656
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
52.72908	1.8
59.01388	5.0
71.60151	1.6
86.72675	2.0
88.97132	1.7
94.19840	1.9
96.40714	2.0
97.18843	1.8
125.09772	2.9
145.57935	2.1
163.11333	2.1
165.12839	4.2
179.14404	2.7
181.12363	2.5
193.15956	2.5
211.86850	2.0
216.01776	2.2
216.91968	2.0
223.13364	2.7
247.20598	9.4
248.21481	2.2
291.19727	59.2
309.20801	42.4
313.17902	12.8
331.01791	2.1
331.18939	57.4
367.16608	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	367.1659
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
50.15437	3.4
59.01392	24.1
61.98836	50.2
81.70499	4.1
111.08124	4.5
137.02492	4.2
197.11798	33.1
242.90495	5.1
263.33865	4.6
309.20804	9.1
367.16577	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	367.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	13.3
66.77740	2.3
103.45716	2.9
111.08178	11.3
111.13224	2.2
122.13746	2.5
155.69499	2.8
179.31378	2.7
197.01404	2.6
197.11824	41.1
197.72728	2.5
219.10088	3.8
254.97101	3.3
309.20688	19.2
367.16605	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	367.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49026	0.1
58.30432	0.1
59.01363	0.4
61.98834	100.0
80.19165	0.1
85.02952	0.1
97.02940	0.2
110.24957	0.1
168.13933	0.2
169.14238	0.2
251.09282	0.1
329.17517	0.1
367.16785	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	366.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98836	100.0
64.34422	0.2
66.94110	0.2
72.99328	0.4
75.61358	0.2
80.09935	0.2
82.41097	0.2
89.02483	0.4
93.35088	0.2
105.89873	0.2
112.44279	0.2
117.01958	0.4
135.03128	0.2
142.99870	1.6
149.06081	0.3
166.06290	0.2
173.00937	0.4
174.01685	0.9
225.07715	0.4
235.18564	0.2
271.08264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
61.98838	0.5
63.85770	0.7
64.34536	0.7
67.43049	0.6
70.73710	0.6
75.49038	0.6
78.91995	0.6
80.23470	0.5
87.23129	0.5
90.50363	0.5
91.05493	0.8
92.10751	0.9
106.06651	0.8
120.04575	1.2
132.01437	0.7
132.04538	2.9
146.06105	3.5
148.07695	55.1
188.10779	0.7
233.19153	0.9
366.24405	100.0
367.24658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71318	0.3
59.01384	4.3
60.01713	0.3
61.98835	100.0
65.81709	0.3
78.99271	0.3
78.99709	0.3
131.45291	0.3
133.02931	0.6
134.03326	0.7
164.62994	0.3
177.01981	0.5
181.51921	0.3
203.81531	0.3
231.38138	0.3
241.78914	0.3
250.76695	0.3
296.81412	0.3
315.71695	0.3
349.08807	0.4
356.72083	0.4
359.39993	0.4
378.60803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73501	0.2
52.67307	0.2
55.44867	0.2
59.01380	0.5
61.98832	100.0
62.55699	0.2
65.67339	0.2
71.97639	0.3
72.99306	0.6
82.12756	0.2
89.02448	0.4
90.22416	0.2
92.06124	0.2
109.52002	0.2
112.98804	1.1
117.01916	0.3
142.99837	1.1
149.06223	0.3
153.05617	0.4
173.01007	0.4
174.01646	1.7
192.65605	0.2
193.05054	0.4
212.31676	0.3
269.79779	0.3
271.08127	0.4
307.15750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06900	4.8
59.01381	67.8
60.80479	4.7
70.30537	5.2
71.01376	23.7
72.72997	5.5
73.15637	4.6
89.02441	23.2
89.36102	5.2
96.95996	100.0
96.96997	8.0
97.99965	6.9
106.55270	5.8
111.23302	6.3
113.02477	5.8
128.61082	6.1
165.01959	10.9
167.03426	9.4
329.08710	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	365.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09034	13.4
56.79077	14.2
59.01389	100.0
64.34795	15.1
71.01400	19.7
75.14817	15.6
82.42969	15.6
84.48266	16.3
85.30456	15.1
89.02458	28.3
93.39003	16.8
96.96001	27.7
100.13844	19.6
165.01901	31.7
182.46434	17.2
327.07242	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	365.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09034	13.4
56.79077	14.2
59.01389	100.0
64.34795	15.1
71.01400	19.7
75.14817	15.6
82.42969	15.6
84.48266	16.3
85.30456	15.1
89.02458	28.3
93.39003	16.8
96.96001	27.7
100.13844	19.6
165.01901	31.7
182.46434	17.2
327.07242	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	365.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59419	0.2
59.01383	4.2
61.98832	100.0
62.41957	0.3
63.11639	0.2
63.15463	0.3
66.23833	0.3
67.61318	0.3
69.78337	0.3
71.01373	0.3
75.00897	0.3
78.78941	0.3
92.10795	0.8
119.05009	0.6
123.04473	0.3
128.03532	1.1
140.07169	0.5
141.07460	0.4
150.03279	0.4
163.03990	0.5
165.05588	0.4
194.68748	0.3
222.05359	0.3
237.07776	2.0
249.05421	0.6
259.14423	0.4
260.97238	0.3
275.81839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.81849	0.3
57.03458	1.1
59.01382	21.9
60.32261	0.4
71.01374	10.5
71.05025	1.9
72.97506	0.4
72.99306	1.1
73.02927	3.9
83.01399	2.7
85.02934	6.6
87.00903	0.5
89.02425	5.6
91.62903	0.4
92.10084	0.9
95.01385	0.8
99.00849	0.6
101.02431	12.1
113.02456	4.5
114.39406	0.4
119.03516	1.9
136.05923	0.4
139.15298	0.4
185.11807	8.2
203.12813	3.7
228.26305	0.7
365.18201	100.0
366.18420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92846	0.9
51.04604	0.9
57.03452	17.5
59.01382	100.0
62.50653	0.9
66.73958	1.1
71.01393	7.1
73.09874	1.0
85.02939	1.5
89.02455	4.5
89.81612	0.9
99.04526	16.2
101.02445	8.9
113.02429	1.6
119.03482	1.0
161.04564	23.3
203.03857	2.1
284.01041	1.1
305.16025	4.3
365.08893	9.4
365.18066	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	365.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37901	1.0
59.01386	13.3
61.98840	1.2
64.06783	1.1
73.70230	1.1
73.80920	1.3
80.91682	12.2
97.02957	2.7
99.08111	1.3
113.09819	1.7
115.07676	3.0
125.66293	1.2
127.07670	11.8
139.11275	1.4
152.20198	1.4
153.09221	2.1
155.10808	5.5
167.10809	7.8
195.10057	19.1
201.02591	1.9
205.08420	9.0
209.08003	2.5
222.12567	1.3
229.14394	9.9
234.08772	6.7
239.09047	8.9
265.18152	7.7
275.16385	5.3
283.19177	59.0
287.16379	2.5
289.03772	1.7
303.14908	1.4
305.17401	100.0
323.17093	6.9
327.21918	2.6
329.23157	1.6
365.18259	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	365.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37111	0.3
52.66303	0.4
52.82097	0.5
54.83082	0.5
59.01398	0.7
59.45720	0.4
60.94080	0.3
64.29150	0.4
66.04610	0.4
68.29049	0.4
70.30152	0.4
82.73458	0.5
83.12669	0.5
92.10743	0.8
99.08144	4.5
118.35455	0.5
125.09700	0.5
127.11308	0.7
137.38455	0.5
155.14432	0.5
171.10257	2.0
182.52519	0.5
183.13902	5.0
193.12292	1.8
209.11896	1.1
211.13431	28.2
229.14458	19.2
262.79218	0.5
297.11322	0.7
311.22342	0.6
327.15948	2.2
327.21811	0.5
329.23380	100.0
330.23776	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	364.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
60.51583	0.4
60.99330	0.8
61.98837	100.0
71.01418	0.4
78.95903	14.5
79.17986	0.4
79.95738	2.8
81.07304	0.5
81.64604	0.3
83.00518	0.4
88.98795	5.8
90.83613	0.4
96.96005	97.6
96.96928	21.1
123.00837	0.7
140.24586	0.5
178.49229	0.5
198.59517	0.4
259.30804	0.5
276.66162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22771	0.2
59.01385	0.4
61.98832	36.1
63.29821	0.2
65.13886	0.3
92.93475	0.3
99.20054	0.3
108.02152	0.5
134.45877	0.3
136.01555	0.2
137.02425	1.1
146.44623	0.2
149.02448	0.3
150.03195	0.3
162.03238	0.4
163.04012	14.0
164.04794	10.0
165.05547	1.4
177.01942	1.4
177.34880	0.3
178.02295	0.4
179.03523	0.4
196.03789	48.8
292.66949	0.3
301.10849	100.0
302.11145	2.1
361.71741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73756	0.1
53.94956	0.1
53.99358	0.1
55.42761	0.1
59.01384	0.3
61.98838	100.0
114.78465	0.1
138.53677	0.1
235.22586	0.2
315.33200	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36074	0.1
59.01400	0.7
61.98838	100.0
65.76648	0.2
81.97213	0.2
114.40014	0.2
116.64507	0.2
121.02981	0.3
144.90622	0.2
166.05829	0.2
168.06354	0.2
199.61868	0.2
349.14932	0.3
363.17093	0.2
364.17438	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	364.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37874	0.1
59.01407	0.2
61.98833	100.0
71.01382	0.9
113.26751	0.2
125.69352	0.2
136.90955	0.2
183.13872	0.3
193.12450	0.2
211.13428	10.4
215.48698	0.2
241.14444	0.7
247.33479	0.2
253.36227	0.2
265.14532	0.3
283.15494	0.3
290.94937	0.2
301.16531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45028	0.3
59.01387	37.2
60.01719	4.9
61.01817	1.9
61.98838	100.0
83.47841	0.3
100.32881	0.4
100.76684	0.4
163.06049	0.5
218.07314	2.1
219.06924	8.9
220.07104	7.8
226.89493	0.4
287.13504	2.2
288.13608	6.2
302.17001	2.7
303.16544	8.8
304.16650	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35622	1.2
51.24729	1.1
53.00299	1.4
57.03459	7.0
57.08368	1.4
59.01392	12.3
61.92389	1.2
67.01900	1.4
71.01377	43.9
72.99323	3.3
73.02954	6.4
83.01369	10.7
85.02938	15.0
87.00871	11.3
93.03462	2.0
96.96017	2.4
99.00867	30.1
111.00888	39.3
112.98808	100.0
114.13577	1.4
115.00364	13.7
124.98814	8.5
129.01978	10.6
132.67010	1.3
133.01398	2.4
133.41113	1.7
137.02460	2.0
142.99864	60.3
154.99843	1.9
159.01083	3.2
164.71605	1.6
167.91289	1.3
173.00908	61.1
173.04561	6.4
177.29160	1.6
191.05612	7.3
217.05299	2.2
231.03105	1.7
265.97244	1.4
365.05273	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	365.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82848	3.5
56.16700	3.2
59.01381	56.3
59.01598	3.2
60.15087	4.1
61.98834	8.0
71.01400	8.0
77.58134	3.9
89.02448	6.8
94.32934	3.5
99.58891	3.2
101.02473	6.2
102.71970	3.6
108.02177	42.5
112.23960	3.7
113.02449	5.6
119.82661	4.3
123.04533	32.6
145.69633	3.8
152.01176	38.8
167.03487	100.0
170.19727	3.6
189.09581	3.9
201.02542	4.5
201.12254	4.3
284.00626	4.1
340.44342	4.2
365.14209	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	363.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40589	1.7
55.97948	1.5
56.68422	1.4
59.01402	3.0
61.98845	2.7
62.58799	1.5
66.20507	1.5
66.59238	1.9
71.01402	1.7
72.23241	1.7
74.61255	1.7
76.57317	1.6
79.25382	2.1
80.05795	1.6
80.17820	1.6
95.06065	2.0
116.17247	1.7
119.59611	1.7
121.02961	13.0
122.03741	10.1
123.04536	2.4
133.02962	3.6
137.09709	3.0
151.03955	8.0
152.04764	28.3
155.10808	10.5
165.47849	2.0
171.10231	20.3
183.13876	3.6
211.13412	100.0
254.66158	2.6
302.69272	2.5
327.21805	10.0
363.18170	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	363.182
Annotation	Lasiodonin
Peak:m/z	Relative Intensity
59.01379	0.7
59.77170	0.3
61.98839	0.5
63.36678	0.3
67.64593	0.4
69.03473	1.6
73.09050	0.3
84.02179	0.8
92.10743	0.7
93.03470	0.5
97.82280	0.4
121.02942	3.0
122.03758	4.1
123.04514	2.5
125.67064	0.4
133.02972	0.7
135.04504	2.3
136.05162	0.5
146.03734	7.1
147.04527	25.3
150.03314	1.4
151.04012	2.8
152.04787	8.0
159.04529	5.3
160.05316	2.3
161.02438	0.7
161.06081	19.4
162.06877	2.9
163.04066	0.4
171.04510	0.7
172.05289	6.3
173.06093	3.7
174.03207	0.4
174.06808	0.9
175.04007	19.6
175.05492	0.9
175.07668	2.1
177.05559	0.7
183.13919	2.5
185.06073	2.4
186.06842	0.5
187.04005	1.9
187.07571	0.6
188.04791	2.2
189.05576	10.5
190.06369	25.2
193.12328	0.9
201.05559	3.3
202.06281	2.7
203.07195	0.7
205.73869	0.4
211.13420	27.2
220.07431	28.8
229.12283	0.6
231.13806	0.5
245.11873	0.5
255.14027	0.5
259.13419	1.9
269.15414	0.6
271.13565	3.2
283.13361	2.9
287.16479	3.0
289.14777	0.6
297.14929	4.8
300.13519	1.3
301.14465	1.6
309.15036	1.5
315.16058	22.2
318.14832	0.7
327.16068	5.4
333.17102	1.8
335.18802	0.5
345.17099	27.1
346.17487	0.4
363.18176	100.0
364.18442	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	363.2541
Annotation	ent-15-Acetoxy-7,13-labdadiene-2alpha,3alpha-diol
Peak:m/z	Relative Intensity
54.81515	0.3
59.01382	100.0
59.75429	0.2
69.61408	0.3
81.09603	0.4
85.13015	0.4
114.52031	0.4
145.82321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82678	0.2
57.86382	0.1
59.01388	0.3
60.99318	0.2
61.98832	15.8
69.78852	0.2
78.95900	13.3
79.95730	2.3
88.98802	2.1
95.43533	0.2
96.96008	100.0
96.96929	20.8
111.57263	0.2
134.04759	0.2
140.15309	0.2
298.96994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78358	0.2
59.01382	100.0
61.98837	0.3
79.46735	0.2
130.21245	0.2
135.64000	0.2
149.65999	0.3
170.49010	0.2
263.20203	3.1
271.86047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46574	0.2
51.61674	0.2
56.05351	0.2
58.13016	0.2
59.01387	1.3
61.01785	0.3
61.98833	100.0
71.48856	0.2
89.10126	0.2
91.68104	0.2
137.06055	0.5
147.61142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98839	100.0
62.46708	0.4
68.65676	0.4
84.15884	0.4
91.66164	0.4
92.65470	0.6
132.57098	0.5
140.27425	0.5
166.06277	0.7
167.06671	0.8
181.08740	0.6
182.09180	0.7
217.65503	0.5
231.99945	0.5
257.54709	0.6
274.77527	0.5
354.72949	0.5
360.66739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36062	0.5
59.01385	100.0
60.03909	0.6
79.63898	0.7
80.38104	0.7
82.20726	0.6
87.02276	0.7
89.51260	0.7
91.09776	0.7
92.10788	1.8
119.05039	7.9
120.05378	4.8
130.21078	0.7
140.07182	90.8
163.04047	5.3
164.04323	3.9
172.17255	0.7
233.26929	0.9
237.07596	0.9
260.48611	0.7
302.12280	1.0
309.60062	0.9
322.97794	0.7
341.09326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.57727	0.8
81.24930	0.9
86.88551	0.9
92.10195	1.5
97.14024	0.9
130.30209	1.1
144.54155	1.1
241.78528	1.0
380.84067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53666	0.2
59.01383	2.6
59.03321	0.2
60.01730	0.2
61.01803	0.7
61.98833	100.0
71.01392	0.3
101.02474	0.3
111.72134	0.2
112.11507	0.2
113.02451	0.2
117.03437	1.6
119.05019	2.0
133.06587	0.4
138.05589	0.7
139.05954	0.4
145.02959	8.6
159.04469	0.6
161.06146	0.7
163.04033	0.9
187.04013	3.0
193.08745	0.2
237.07758	0.2
252.68251	0.2
300.09940	0.2
307.08130	0.3
315.12454	0.3
323.13116	0.2
325.09384	1.8
363.16400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43284	1.1
57.03468	1.0
59.01384	100.0
61.98845	1.5
62.00141	1.0
69.03461	2.5
69.55258	1.0
71.01391	7.6
72.99319	2.1
73.02951	1.4
78.15519	1.0
83.01397	1.4
85.02973	1.3
89.02448	4.4
98.61314	1.1
99.00895	2.0
101.02436	1.9
107.79237	1.0
109.02966	1.3
111.08155	1.9
112.98817	7.4
113.02476	1.1
113.99588	2.2
115.00426	3.3
117.01945	1.7
124.01719	1.4
135.04504	1.2
136.41394	1.1
137.02516	1.1
137.06049	1.9
142.99808	2.0
147.04549	1.9
152.77522	1.0
153.05585	7.2
163.03995	1.5
165.05595	6.7
167.07123	9.2
171.06694	2.1
173.00925	10.6
174.01698	69.8
175.02510	7.6
183.06676	1.0
183.10208	1.0
193.05118	1.3
211.06158	13.2
213.05499	1.4
222.05460	2.0
237.07690	7.1
241.04959	7.4
247.13373	1.8
256.07419	4.4
261.01553	1.1
263.07239	1.1
271.08279	14.8
275.12982	4.6
315.08719	2.2
321.02466	1.1
327.10971	1.4
363.10883	4.7
363.16742	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	363.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47802	38.9
58.13662	38.0
59.01410	54.3
60.32422	37.5
62.54140	41.1
92.10165	100.0
275.45795	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03825	0.8
59.01381	1.9
80.98212	0.8
89.26321	0.9
92.10832	1.3
108.02163	1.1
121.02951	19.0
122.03754	17.1
134.03749	18.2
135.04546	6.6
137.02425	1.2
137.06070	1.2
146.02611	1.1
146.03749	24.6
148.83595	0.9
149.06087	21.5
150.03233	4.1
154.02769	2.0
161.06100	8.4
164.04814	11.2
165.05565	11.5
166.06371	20.9
167.07146	100.0
175.44971	1.0
179.05661	1.8
179.07155	34.6
209.08081	1.0
210.67819	0.9
221.08163	3.6
242.19389	1.0
315.12482	4.3
327.12448	4.7
347.30057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74678	0.2
59.01382	100.0
59.07942	0.2
64.53826	0.2
70.85348	0.3
71.99992	0.3
76.55770	0.2
80.02661	0.5
81.03448	0.4
83.05024	3.3
84.02167	0.5
89.18934	0.3
90.95101	0.2
92.10741	0.4
98.21584	0.3
98.72140	0.3
102.91599	0.3
113.08734	0.3
114.39410	0.3
132.75365	0.3
163.11255	2.4
165.12842	1.8
188.54662	0.3
191.10817	0.3
209.11853	94.4
210.12230	0.9
227.12933	3.3
274.23734	0.4
302.12140	0.3
334.52191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	34.1
61.98841	100.0
87.97398	21.4
110.29572	22.8
122.30748	21.5
143.62541	22.6
301.16989	29.6
324.30316	22.2
334.56577	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	361.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17879	1.7
59.01389	100.0
63.49158	1.8
64.34125	2.1
68.10612	1.8
101.47494	2.2
139.82436	2.6
183.07764	2.2
206.22496	2.3
217.07211	42.0
285.13501	22.6
285.46182	2.5
301.16617	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11552	0.5
59.01382	20.3
64.34745	0.6
67.27585	0.6
69.99403	0.6
86.34805	0.6
132.00151	0.7
177.57207	0.7
230.54353	0.8
279.23312	100.0
280.23547	1.4
343.37686	0.7
361.23685	18.4
383.47330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.6
64.30830	0.4
69.37598	0.5
84.95589	0.5
88.86222	0.6
91.47800	0.6
165.58659	0.7
171.47665	0.6
261.22101	0.7
279.23303	100.0
280.23773	0.7
361.23669	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	361.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30025	2.1
56.96544	2.0
59.01395	14.0
61.98841	4.3
72.99313	4.3
90.22470	2.4
94.44597	2.4
100.12560	2.3
103.82299	2.2
108.55718	2.1
110.48191	2.2
114.91262	2.4
121.02937	4.4
134.03732	3.2
135.04543	22.7
148.05313	69.4
148.06427	3.5
149.02451	47.6
149.06087	3.1
163.07666	29.4
164.04803	100.0
166.06358	23.1
179.07153	41.9
181.08696	55.3
275.65677	2.3
310.52499	2.5
313.10953	10.7
317.13885	4.4
361.16690	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	361.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	4.9
59.01408	4.1
59.07425	0.9
61.98850	4.3
70.85400	1.1
84.02168	1.6
92.10735	1.4
97.06573	1.1
115.07619	1.2
115.29515	1.1
151.11317	4.4
153.12871	5.5
155.14456	1.4
156.48413	1.2
163.04005	1.2
181.12334	1.9
183.13904	1.6
197.11856	8.2
199.13397	32.0
209.11896	5.0
211.13550	1.4
215.12852	9.2
227.12903	100.0
229.14464	19.3
245.19130	1.6
281.90234	1.1
289.17880	1.5
305.17801	1.3
307.19189	16.2
325.20126	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	361.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10693	0.8
56.73373	0.8
58.00604	5.8
59.01400	2.3
61.98843	2.5
67.23240	1.0
81.93842	0.9
85.90771	0.9
97.06555	1.4
113.06036	1.2
150.24609	1.0
151.11327	1.8
153.12852	2.5
163.11328	1.0
165.12840	4.3
181.12305	2.0
183.13792	1.4
196.57668	1.3
197.11807	6.6
199.13422	36.1
209.11865	4.9
215.12868	7.6
217.00311	1.3
225.11441	1.4
227.12923	100.0
229.14467	16.6
281.21558	1.3
289.18073	2.4
305.17557	1.8
307.19168	15.6
323.18683	2.0
325.20245	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	361.1637
Annotation	Thyrotropin-releasing hormone
Peak:m/z	Relative Intensity
54.82768	2.6
55.10209	2.6
59.01387	10.9
67.93217	2.4
92.10797	7.0
93.03487	3.4
109.02980	5.5
109.67586	2.9
115.95045	2.8
121.02940	49.9
122.03765	27.6
123.04506	3.9
129.03534	3.0
147.04504	18.4
155.10747	4.0
159.49612	2.7
161.06116	3.0
165.05583	39.7
169.34871	2.9
179.07173	19.8
207.38982	3.1
209.08095	3.1
215.57730	3.0
280.50342	2.7
280.95215	2.8
315.12430	4.3
346.14185	12.3
361.16638	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	361.1661
Annotation	Phyllostachysin A
Peak:m/z	Relative Intensity
51.55133	0.6
53.54639	0.8
54.82333	0.8
55.67255	0.7
55.77228	0.8
57.13840	0.8
59.01388	4.5
61.24379	0.8
83.38664	0.8
96.20824	0.9
108.02193	0.9
121.02969	5.2
121.06654	1.0
122.03748	6.0
124.01689	1.2
135.04478	2.2
137.02426	10.4
142.16624	0.8
148.05339	3.8
149.06079	39.3
151.04018	4.5
152.04811	4.7
153.05606	1.0
154.02744	0.9
163.04013	9.2
163.07684	1.4
165.01930	1.4
176.04794	4.3
177.05583	2.0
179.03438	4.7
180.04295	33.2
182.05836	3.8
190.06360	1.1
191.03539	1.2
191.07152	19.5
192.07915	21.3
197.08189	2.3
204.22899	0.9
206.05855	7.4
207.06685	1.7
212.03244	5.2
224.06931	10.3
255.06700	1.6
287.18494	3.9
298.08432	5.4
299.09863	1.0
299.12823	7.7
313.10870	5.3
317.10388	14.7
328.13232	14.4
343.15543	100.0
344.15976	1.2
361.09229	4.0
361.12958	5.4
361.16818	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	361.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09118	0.4
59.01378	0.9
91.94054	0.5
107.05042	2.1
108.02161	1.8
109.02958	0.5
121.02937	5.3
121.06596	0.8
122.03745	6.4
123.04523	2.9
134.03726	1.1
135.04527	54.9
136.05324	1.2
137.02457	2.4
137.55885	0.5
138.03209	0.7
145.02975	2.8
147.04512	4.3
148.05309	0.7
149.06093	13.0
150.03244	0.9
151.04044	3.8
154.02750	0.6
160.05348	1.7
161.06073	17.5
162.06870	0.7
163.04021	9.0
164.04771	2.1
166.02753	1.9
166.06374	2.5
167.07141	7.8
175.07680	1.9
176.04852	0.5
177.05516	0.6
179.03459	2.1
179.07146	16.1
180.07925	100.0
181.04993	0.6
181.08662	2.2
182.05861	8.1
190.06371	4.2
191.07130	4.4
192.07948	17.1
193.04958	1.1
193.08705	10.6
194.01787	0.4
194.05870	12.5
194.09494	0.9
195.06636	6.6
195.10263	1.9
205.08746	0.5
207.10219	0.9
209.08151	3.8
209.11794	0.6
210.08969	1.0
212.06935	14.6
223.09793	1.0
225.11459	0.8
226.08473	7.2
254.05855	2.7
268.07581	0.8
270.05814	0.5
282.09021	0.6
283.09717	1.9
295.09769	1.8
296.10388	0.8
297.11322	6.4
300.10159	1.0
312.10101	1.1
313.10855	17.0
315.12555	0.6
316.13232	7.0
327.12097	0.9
328.13226	17.0
331.15549	34.0
343.15524	19.7
346.14233	2.3
361.16605	99.2
362.17026	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	361.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03481	0.7
110.46208	0.1
113.83490	0.2
121.02953	21.2
123.04592	0.2
124.86539	0.2
135.04526	2.0
151.04079	0.2
164.04868	0.2
166.06358	100.0
167.06815	0.2
179.07152	0.2
181.08717	60.1
182.09065	0.2
221.12666	0.2
285.44855	0.2
361.16528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1662
Annotation	Ponicidin
Peak:m/z	Relative Intensity
59.01383	5.6
63.06349	0.9
70.98289	1.3
90.61286	1.2
92.10813	2.1
93.03430	1.7
101.48322	0.9
107.05003	1.1
119.05074	1.1
121.02189	1.4
121.02994	7.2
121.06603	5.2
122.03738	1.4
123.04531	4.5
135.04527	2.1
136.01677	6.6
137.02438	13.9
137.06100	6.9
143.34227	1.3
146.03827	1.6
147.04453	1.9
148.05305	2.3
149.06090	29.2
150.03226	2.0
151.04021	7.2
151.07715	3.7
152.04720	1.4
153.01962	2.2
154.02750	4.6
161.02563	1.9
161.06058	1.7
162.03258	1.9
162.06805	1.1
163.04079	10.9
164.04773	10.8
165.01978	1.9
165.05574	22.1
166.06346	4.4
174.03236	2.6
175.03979	7.1
176.04854	2.0
177.05592	1.6
179.03526	8.7
180.04253	10.6
181.05128	2.1
181.08714	33.9
187.04033	2.1
189.05615	9.1
190.06387	1.3
191.07166	5.8
192.07976	4.4
196.03786	12.7
197.04558	2.4
218.05907	4.7
298.08560	4.1
299.12671	1.3
301.10858	31.5
302.11691	10.3
313.10956	3.8
313.14151	1.2
315.12466	1.1
316.13239	2.3
317.10596	2.7
317.13965	51.8
343.15421	9.3
361.16641	100.0
361.29620	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	361.1298
Annotation	(7R)-7-Hydroxytaxiresinol
Peak:m/z	Relative Intensity
54.38478	0.6
54.57166	0.6
59.01382	24.2
61.98806	0.7
74.76803	0.7
77.25691	0.7
78.14304	0.7
85.47656	0.8
93.03468	1.8
107.05029	4.5
108.18239	0.7
116.92872	5.5
119.04995	3.6
121.02937	5.0
122.03722	1.6
122.94209	0.8
123.04516	1.4
133.02989	1.2
133.93687	0.8
135.04523	81.8
136.05232	1.6
137.02406	1.3
147.04526	8.0
147.23466	0.8
148.05315	1.5
149.06099	8.0
150.03242	1.2
151.03923	0.8
161.06059	1.5
163.04008	12.2
164.04771	1.0
165.05547	2.9
175.04051	0.9
176.04851	1.2
176.41895	0.9
178.06345	30.6
180.04266	0.9
190.06326	14.3
190.52148	0.8
191.07187	13.7
192.04274	1.2
193.05086	1.2
195.06541	1.8
200.37704	0.7
207.06628	1.7
209.11859	15.2
210.05293	4.0
215.78181	0.8
227.12897	1.3
238.06305	1.2
239.07181	1.2
240.07973	0.8
253.08749	2.7
256.07526	1.1
266.80624	0.9
271.09879	8.8
282.08835	1.4
283.09753	4.3
292.02856	0.8
295.09720	3.6
297.11267	3.0
298.08524	8.0
302.07932	1.3
310.08594	1.4
313.10843	66.0
314.07813	0.8
325.10840	36.0
343.11896	100.0
361.12930	27.7
361.16852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21086	0.3
59.01388	3.4
59.62975	0.3
60.00173	0.3
61.98879	0.5
68.99623	0.7
88.42651	0.3
92.10808	0.9
93.03534	0.7
107.05085	1.6
112.98611	1.4
118.19505	0.4
118.73882	0.4
119.05042	2.7
121.03056	1.8
133.03009	0.7
134.03738	3.8
135.04533	6.7
145.21909	0.4
146.03923	0.5
147.04608	2.7
148.05324	34.2
149.06110	3.2
150.03279	0.9
159.04610	0.9
160.05322	11.6
160.06471	0.6
160.98705	0.4
161.06099	20.5
161.07353	0.9
162.03250	5.1
162.04434	0.4
163.04053	3.4
171.78529	0.4
173.06172	0.5
174.06876	0.5
176.04848	1.9
177.05672	2.5
180.04301	5.1
191.07169	0.6
192.07939	4.7
193.08781	2.5
195.06714	1.6
207.10197	0.5
209.08182	0.6
209.11980	1.8
220.75502	0.4
234.42172	0.4
237.09218	0.5
252.07967	4.8
253.08806	1.7
265.08704	4.0
267.10370	2.9
283.09802	46.1
295.09808	25.6
295.13196	0.7
297.54327	0.4
311.09326	1.5
313.10876	100.0
314.11349	1.8
331.15567	0.5
332.71490	0.4
343.12134	0.5
347.36905	0.4
361.08569	0.8
361.12933	22.3
361.16791	3.7
362.13406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84898	1.0
59.01392	5.6
61.98834	100.0
62.09364	0.8
62.32264	0.8
64.30463	1.0
82.48350	1.0
100.83103	1.0
102.31423	1.0
162.53616	0.9
174.93483	1.0
181.98486	1.2
189.86270	1.1
209.11874	2.2
240.73138	1.1
294.25296	1.1
308.54291	1.0
360.15396	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	360.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11044	0.6
56.32389	0.6
59.01397	3.4
59.02375	0.7
61.98832	100.0
80.53138	0.6
92.19360	0.7
118.62367	0.8
123.76085	0.7
136.35794	0.7
203.30353	0.8
308.05350	0.7
322.97296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28468	0.9
59.01867	0.8
59.04678	0.8
61.98835	100.0
84.73764	0.8
85.19499	0.7
92.10072	1.0
98.97054	0.8
105.86209	1.0
108.05365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0722
Annotation	5-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-2-sulfonic acid
Peak:m/z	Relative Intensity
53.20544	0.6
55.16435	0.7
59.01379	3.7
59.40752	0.7
61.98812	1.2
65.00341	1.8
67.82482	0.8
74.80849	0.8
112.59491	1.0
117.03452	37.6
123.00826	0.9
123.04474	0.9
131.05063	1.1
133.02962	9.2
150.03178	1.5
155.05035	5.1
157.02986	13.5
159.04538	1.9
166.72385	0.9
175.03883	1.0
199.04031	1.6
213.05647	1.3
217.00244	1.1
241.05081	6.0
243.03029	7.6
272.08453	1.3
273.09195	1.6
287.22256	1.5
317.08255	4.8
361.07220	100.0
362.07779	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	361.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23551	0.4
52.87358	0.5
58.99473	0.4
59.01384	27.0
60.39612	0.5
61.98837	1.3
71.01390	4.5
73.02972	1.1
85.02970	2.7
95.01398	4.2
99.00884	0.7
101.02438	4.1
111.00866	0.7
113.02460	2.8
121.02975	1.2
122.03752	0.7
123.00886	100.0
124.01688	10.0
136.98827	0.6
137.02419	2.9
138.03232	69.9
139.00352	2.3
139.03021	1.1
139.04016	14.5
140.01198	0.7
143.03545	0.7
149.02483	1.2
150.03322	0.6
151.03952	1.0
155.03513	0.8
159.02892	1.1
161.04576	9.1
163.04033	0.6
164.98283	6.3
166.02785	1.4
178.02779	1.0
181.05107	4.1
182.99352	5.1
193.05122	3.2
204.11310	0.6
276.96750	0.6
295.89392	0.6
301.09323	24.7
336.73886	0.6
346.05499	1.4
361.07770	4.6
368.28195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1503
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
50.72235	0.4
52.30651	0.4
59.01388	4.2
59.54426	0.5
62.24704	0.5
68.12602	0.5
70.67975	0.6
72.37347	0.4
72.49867	0.4
80.73443	0.6
86.37323	0.5
93.03456	12.3
93.07082	0.7
95.04995	0.6
109.02959	12.4
119.05022	1.2
121.02953	100.0
122.03812	3.9
123.04517	3.7
124.01615	0.8
129.03467	2.2
135.04564	1.1
137.02423	1.2
147.04535	16.1
154.02745	0.9
161.06100	3.1
163.04092	0.7
165.05568	45.6
174.99426	0.7
178.06291	0.8
179.07152	14.5
180.74753	0.5
185.15356	0.9
185.58192	0.5
190.23743	0.5
196.43773	0.7
217.00349	2.1
221.08199	1.2
229.18091	3.3
287.22217	1.1
311.12903	0.9
313.10864	5.5
329.13620	0.9
341.13904	0.9
344.12674	19.5
359.15051	55.9
360.15463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52951	1.1
57.03467	1.9
58.00606	5.1
59.01379	16.6
68.95065	1.3
70.72247	1.4
70.91588	1.1
71.01398	1.4
87.00870	16.0
88.97279	1.3
96.96021	7.6
98.63064	1.3
108.02254	2.1
109.02965	6.0
109.06606	1.5
115.00375	1.7
121.02985	2.8
137.06081	1.9
165.12883	3.2
174.99248	1.5
179.14452	1.5
183.13898	7.8
195.13989	1.7
211.13429	100.0
213.15016	32.4
216.24907	1.4
222.03476	1.4
223.13412	12.5
227.07137	2.1
235.13429	5.0
241.05081	3.1
241.14465	74.8
251.12898	24.6
253.14400	10.3
255.06625	1.7
259.13394	7.2
263.12897	2.6
269.08209	3.0
269.14008	1.6
270.08994	2.6
277.14459	10.1
281.08136	2.0
293.13925	1.6
305.14014	6.1
323.15137	2.3
326.08014	2.6
329.10336	14.1
341.10284	6.0
359.15070	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	359.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11532	18.8
59.01389	100.0
60.99229	16.8
64.18190	16.9
82.93073	18.6
92.71086	19.2
98.36119	20.8
116.52348	19.0
133.56778	23.2
237.04013	21.0
268.59653	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.0
60.41328	0.7
82.57825	0.7
124.66310	0.7
139.68726	0.8
160.47937	0.7
277.21744	100.0
277.72122	0.7
359.22104	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	359.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64380	1.9
59.01383	33.4
61.98833	3.9
93.03440	7.2
95.05022	2.1
109.06596	2.0
137.06099	2.2
140.58813	2.5
151.11282	13.3
174.99260	2.4
207.10258	4.4
217.00275	12.9
223.20703	92.1
233.19170	3.1
255.90526	2.1
259.17007	2.7
267.19650	68.4
268.11093	3.3
277.18027	34.5
283.13474	2.7
285.20749	100.0
299.15991	3.4
359.18890	2.3
359.19601	2.9
359.24438	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.244
Annotation	oscr#22
Peak:m/z	Relative Intensity
54.03682	1.0
54.96013	1.0
58.42019	0.9
59.01384	13.1
61.98828	2.8
71.01383	2.2
84.47206	1.1
86.04244	1.1
91.04025	1.5
92.10796	2.5
109.06579	1.2
121.02882	1.1
160.07538	1.4
217.00269	2.7
223.20688	100.0
224.20992	1.4
241.21678	2.0
267.19675	67.2
268.20190	1.6
285.20746	89.0
287.09021	1.3
305.85571	1.1
359.24442	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01392	3.8
64.80264	0.4
71.01418	0.5
73.23833	0.3
75.97598	0.4
83.01421	0.6
85.02960	0.5
93.03416	2.8
94.02989	48.7
94.03773	1.4
96.96018	2.5
111.00900	0.3
123.00876	3.5
125.02409	1.3
126.02779	0.5
136.04895	0.3
137.02435	3.5
138.01976	100.0
139.03978	0.4
153.01921	2.2
154.02238	2.9
164.92462	0.4
180.44394	0.4
229.03758	0.4
300.07553	0.4
301.09329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1505
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
59.01385	7.3
60.20754	0.7
60.99321	1.5
88.66576	0.6
88.93763	0.7
88.98798	11.9
89.30480	0.7
99.90331	0.6
101.72123	0.7
107.05011	1.0
108.02171	1.0
111.50909	0.8
119.05021	1.1
121.06588	3.9
123.04517	3.1
125.09705	0.7
134.03725	1.1
135.04558	4.6
136.05278	0.8
137.02412	0.9
137.06143	0.8
149.06067	11.2
151.04068	1.4
158.03716	0.8
161.06058	0.9
167.07108	1.3
171.10298	0.9
174.06819	0.8
174.99197	0.9
179.03563	3.0
179.07144	24.0
180.82796	0.6
181.08714	8.5
201.02603	0.9
201.11310	1.5
209.08208	4.0
217.00360	3.5
267.10345	0.8
269.08273	0.9
273.11542	0.9
284.10550	1.7
285.11298	3.5
287.22302	4.5
297.11435	5.6
313.10956	11.7
314.11655	53.6
325.10825	12.8
326.11679	18.7
329.13980	39.1
339.30850	0.7
341.13995	21.0
344.12668	10.0
359.11630	4.4
359.15070	100.0
360.15765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19755	2.0
54.82951	2.5
56.70694	1.9
58.41840	1.9
59.01392	30.9
61.19976	2.8
71.01397	2.8
71.17254	2.1
72.86216	2.2
80.31857	2.1
87.00907	5.1
92.10079	4.5
92.92140	2.7
96.96029	16.6
108.02210	3.6
108.08222	4.5
109.02953	61.7
121.03020	2.5
123.04549	3.0
134.03764	3.5
135.04558	4.5
137.06140	3.0
153.09267	2.6
157.23393	2.6
159.04503	21.2
161.06116	2.5
162.03191	3.0
163.04001	5.9
170.87360	2.6
171.04320	2.7
173.06052	14.6
183.13951	2.5
185.06133	2.6
189.05615	16.6
191.07123	6.2
203.07201	4.3
211.13397	35.9
212.04898	5.2
213.05617	11.8
213.15016	13.4
217.00479	3.8
223.13463	3.5
225.05670	3.7
240.04298	12.6
241.05060	39.7
241.14465	32.4
251.12927	12.8
255.06653	26.2
261.05682	4.7
267.06534	10.0
269.08286	10.5
277.14520	4.5
281.08078	4.5
299.09283	30.6
313.10913	27.2
329.10309	11.8
343.11987	5.3
344.08566	3.6
344.12674	69.3
359.11349	8.7
359.15045	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	359.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82005	0.3
59.01392	0.8
71.28589	0.4
90.21280	0.4
92.10149	0.5
93.03448	2.2
121.02950	15.0
122.03741	4.1
123.00903	1.8
123.04533	1.7
124.01651	1.9
131.04991	1.7
135.04530	1.6
136.01709	0.5
136.05278	1.5
137.02446	2.0
137.06082	0.7
143.05038	2.5
145.03000	1.7
145.06538	0.7
146.03760	0.5
147.04521	10.0
149.02446	2.8
149.06114	0.5
150.03239	7.1
151.04008	0.5
154.02733	0.4
158.03743	11.0
159.03181	0.7
159.04520	29.0
160.05304	76.8
161.06088	28.7
162.03183	0.7
163.04021	8.1
164.04803	7.4
173.06094	10.5
173.20276	0.4
174.06831	0.9
175.07643	49.4
176.04779	1.0
176.08073	0.4
177.05577	12.3
178.06352	18.4
192.07928	4.2
193.04988	0.5
193.08702	4.3
314.11575	1.5
329.13989	100.0
330.14548	0.6
332.97714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79542	0.4
54.93282	0.4
56.21961	0.5
59.01382	0.5
61.79700	0.5
64.39198	0.4
72.76705	0.5
83.16829	0.4
90.82294	0.5
93.03461	0.9
97.51083	0.7
107.05035	0.7
108.02173	0.7
109.02978	2.1
119.05035	1.1
121.02948	27.7
121.06582	2.6
122.03740	0.5
123.04537	2.0
127.92493	0.5
131.04929	0.5
134.03719	0.8
135.04523	26.1
137.02489	0.6
145.02953	2.5
146.03648	0.5
147.04520	9.0
147.96735	0.5
149.02470	0.8
149.06091	8.6
150.03259	5.9
151.04039	0.7
159.04503	3.5
163.03998	0.7
164.04826	1.0
165.05540	2.0
166.06265	0.8
167.07137	0.6
179.07152	18.7
180.07933	47.0
189.45624	0.6
192.07869	2.3
193.06688	0.6
194.05832	2.0
194.09439	0.7
195.10292	3.3
196.05307	2.7
199.07729	0.6
207.06433	0.7
208.07430	8.5
209.06055	0.7
210.06815	1.1
211.04065	0.7
211.07729	0.7
212.04784	4.9
212.06935	2.0
222.06821	1.2
223.07779	2.9
223.09772	38.2
224.04861	5.2
225.09294	2.2
226.06346	2.0
226.08481	4.4
227.10736	2.8
237.05611	1.2
238.06390	7.6
239.07175	1.2
239.10695	2.1
240.04303	5.7
240.08002	0.6
241.08739	6.5
243.10182	2.6
250.06311	1.1
251.07045	4.8
252.04187	2.4
252.07962	1.0
253.05025	0.8
253.08803	3.9
254.05818	7.8
254.09486	1.6
255.06578	0.9
255.07561	0.8
255.10252	10.8
263.07208	0.6
265.08633	0.9
266.05872	5.5
267.06595	0.9
267.10226	2.1
268.07358	2.1
269.08221	73.4
269.11496	3.5
270.05457	0.9
270.08704	1.0
270.12579	2.5
271.09744	10.7
281.08197	10.9
282.09058	2.5
283.09772	51.1
284.10123	0.7
285.11151	0.8
286.04843	1.2
294.08884	1.8
295.09769	4.3
296.10312	3.6
297.11258	0.8
298.08633	0.9
298.12170	3.2
299.09277	62.0
300.09793	2.1
309.11395	1.9
310.08688	1.2
310.12073	1.2
311.09296	75.0
312.09677	2.4
313.10846	2.2
314.11642	61.4
315.12250	1.2
325.10806	6.3
326.11639	41.3
329.13971	100.0
330.14325	1.0
331.15494	1.2
341.13959	50.6
342.14273	0.8
342.18442	0.6
359.15067	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	359.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64532	0.5
59.01385	100.0
61.92180	0.6
71.01389	4.3
72.11484	0.6
73.02951	0.9
83.01405	0.5
85.02970	2.4
101.02475	3.4
103.31366	0.6
106.04247	1.1
107.05087	0.7
113.02434	1.3
115.91977	0.5
119.05030	4.7
137.06087	66.6
154.77328	0.6
161.04539	8.3
211.99399	0.6
373.31842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44299	0.5
53.80775	0.4
54.80174	0.4
56.76546	0.5
57.03465	0.5
59.01384	100.0
71.01044	0.4
71.01380	4.3
73.02948	1.1
78.92005	0.5
83.01373	0.9
84.88620	0.5
85.02946	2.2
101.02451	2.6
106.04275	1.3
113.02456	2.8
119.05013	4.3
137.06087	61.7
155.58170	0.5
159.02980	0.5
161.04579	7.4
161.05769	0.8
164.25815	0.6
174.31412	0.6
203.33792	0.5
238.28085	0.6
284.51071	0.5
299.11234	0.9
352.50827	0.6
382.63712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1252
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
53.66320	2.2
57.03470	3.8
59.01384	93.0
59.01653	4.9
61.98567	2.3
61.98828	20.1
66.00941	2.2
71.01390	15.7
72.00925	14.0
74.02478	2.4
85.02969	4.4
89.02460	15.5
92.10033	3.7
93.03461	3.0
96.96030	3.6
99.04533	3.2
101.02469	10.7
103.95627	2.6
107.05035	5.7
109.06615	2.7
111.00881	3.5
113.02430	4.4
129.01933	10.9
135.04547	14.7
137.06091	21.8
141.48898	2.7
153.01987	4.9
153.05586	5.1
164.04802	4.5
179.03484	4.3
179.07184	4.7
193.06589	12.9
207.08186	4.4
209.06128	4.7
219.08284	19.1
223.07666	13.1
224.08376	11.3
225.09288	5.5
235.07680	2.9
237.09189	42.5
240.10243	2.9
241.66760	2.5
252.10332	4.9
254.11871	15.1
256.07416	16.9
263.07080	5.3
280.09848	15.9
281.08252	15.2
291.27820	2.7
296.09387	3.2
298.10950	10.7
300.06400	5.1
313.12122	11.4
314.10275	3.9
317.08990	4.9
321.08282	6.4
324.08823	5.5
341.11435	44.7
342.09848	12.1
359.12619	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	359.1143
Annotation	Curlignan
Peak:m/z	Relative Intensity
59.01383	12.7
82.41776	1.2
93.03418	1.8
109.02985	1.4
119.05041	6.2
121.02939	7.5
122.03743	2.7
123.04536	1.6
135.04521	9.1
136.05313	5.7
137.02412	1.9
143.05162	1.3
147.04568	1.6
148.05284	1.7
149.02495	1.7
150.03255	5.2
151.04021	6.5
158.03705	1.6
159.04512	2.6
159.25732	1.3
160.05296	16.5
161.06131	5.6
163.03992	5.2
164.04796	67.8
175.07651	10.5
176.04781	17.4
177.05577	49.7
178.06317	2.2
179.03525	1.3
190.06345	1.7
193.05087	5.9
194.50984	1.4
196.03786	21.4
200.60936	1.3
204.04320	2.8
205.05074	8.1
207.06622	6.4
207.98499	2.3
217.00220	4.8
257.08133	4.7
268.07370	9.7
281.08167	8.3
283.09763	6.3
299.05914	3.6
299.09247	46.3
311.09317	29.7
327.09290	1.7
329.06387	2.3
329.10431	84.5
329.14029	19.2
359.02179	5.5
359.11423	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	359.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56347	1.4
59.01383	100.0
66.31021	1.3
86.06561	1.3
114.98853	6.0
132.98174	1.6
156.70073	1.5
156.99957	5.5
157.03539	3.1
174.99255	24.8
178.95033	1.7
193.54478	1.4
201.02545	19.7
217.00328	71.3
274.88812	2.6
280.89703	1.5
299.01120	2.2
359.01587	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	359.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32047	0.9
59.01382	40.7
62.71152	1.0
70.79591	1.1
73.02960	1.0
81.79472	1.0
86.48969	1.0
90.61557	1.1
93.03481	1.9
107.05044	2.0
108.02164	1.9
109.02946	19.8
109.06562	7.6
119.05010	10.1
121.02946	17.8
122.03746	2.0
123.00823	1.1
135.04512	12.9
137.06078	57.4
152.01131	2.2
164.04814	1.2
181.05067	100.0
189.05577	1.3
217.00262	2.2
287.22391	1.3
305.17651	1.4
359.15039	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	359.114
Annotation	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
55.01896	0.6
55.31069	0.6
59.01385	17.0
85.02947	0.6
90.26559	0.6
93.03460	1.4
97.02946	0.9
107.05039	1.0
108.02162	3.0
109.02959	1.5
109.06579	0.9
119.05035	1.3
121.02938	5.3
122.03741	3.9
123.00862	1.3
123.04527	7.7
124.01624	0.9
125.02399	0.7
134.03743	3.4
135.04549	8.7
136.01657	7.8
137.02425	4.3
137.06084	3.7
138.03238	0.8
142.36760	0.6
146.03717	2.4
147.04504	2.3
149.02431	10.4
149.06076	3.5
151.04010	42.9
151.05238	1.4
161.02467	1.5
161.06097	5.0
163.04010	4.2
163.07602	2.6
164.04787	6.2
165.05563	4.1
173.06091	1.3
175.03926	0.9
176.04796	0.7
177.05585	3.5
178.06401	0.8
179.02019	1.2
179.03513	21.9
179.07108	5.8
181.05045	3.8
189.05652	0.7
190.06300	1.0
190.12337	0.9
191.07132	3.9
194.05867	6.1
195.06612	1.3
196.07431	6.9
207.06660	2.8
208.13440	2.9
217.00319	1.5
223.09793	1.1
224.06880	10.8
229.52304	0.7
239.07066	0.7
240.07916	1.0
242.05835	1.0
249.27214	0.7
253.08701	0.8
255.06604	1.0
257.08188	4.4
267.10239	3.2
269.06015	0.7
269.08298	9.8
270.05408	12.5
272.06906	1.5
279.10223	1.0
281.08057	1.6
282.08783	0.8
285.11234	4.3
297.11310	2.7
299.09247	0.8
301.10751	1.3
311.09177	1.5
327.12396	1.3
329.10367	14.6
341.10175	3.1
344.12747	0.9
359.11374	100.0
359.15106	8.3
360.11670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03856	0.5
57.03446	0.7
59.01384	7.6
61.98840	0.6
73.63108	0.4
86.09852	0.6
87.30237	0.5
89.02410	0.5
92.10184	0.6
95.05026	0.5
97.06570	0.9
99.08173	0.5
111.08167	0.8
111.64725	0.5
113.09732	3.1
115.07656	0.7
121.02943	3.1
128.60384	0.5
137.09735	2.1
139.11259	3.5
141.09160	0.7
154.85793	0.5
155.10757	4.8
167.10779	8.9
181.06534	0.6
185.11734	1.0
209.11870	0.6
214.12071	0.8
221.19151	1.3
232.58507	0.5
237.18665	0.8
239.20096	0.8
247.17110	0.7
265.18115	14.4
267.67584	0.6
283.19174	100.0
284.19629	1.2
307.19025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2649
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.82455	0.6
58.29793	0.6
59.01383	3.0
61.98822	0.8
69.16238	0.7
74.09086	0.6
79.63296	0.7
93.07101	4.3
121.02984	3.5
159.80247	0.7
227.16563	21.2
257.37204	0.7
297.24258	1.6
327.25388	20.2
331.80292	0.8
339.25323	3.3
357.26514	100.0
358.26871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04593	0.5
56.27163	0.5
56.28307	0.5
57.03450	0.6
59.01393	3.0
61.98831	100.0
65.02807	0.6
66.10818	0.5
82.95409	7.1
88.36540	0.6
93.03452	3.1
95.88325	0.6
96.96022	1.2
101.06401	0.5
114.32370	0.6
114.38833	0.6
121.51517	0.6
137.02434	3.4
141.27817	0.7
164.07161	2.8
283.07504	0.8
340.79028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.98832	100.0
127.05671	0.4
128.40993	0.4
186.46365	0.4
221.87709	0.5
263.22510	0.4
264.92337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48922	0.2
59.01365	0.3
61.98831	100.0
63.02076	0.2
70.66727	0.2
71.07758	0.2
71.37421	0.2
73.93884	0.2
79.83064	0.3
95.92786	0.2
104.24129	0.2
123.06937	0.2
149.86469	0.2
177.61069	0.3
178.37430	0.3
208.97223	0.2
228.70078	0.2
263.28986	0.3
310.37991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.252
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95825	68.4
76.12506	82.4
88.98476	82.5
92.10639	98.7
107.62494	88.7
123.20561	85.8
151.92032	100.0
171.13817	90.7
185.40675	97.7
323.25339	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65220	11.3
55.67216	11.4
59.01405	89.3
61.98845	16.4
67.07896	13.2
68.77073	12.4
75.00896	13.6
89.02464	13.5
95.99039	14.2
121.02970	100.0
121.74663	16.9
121.82614	14.8
125.06065	17.8
143.07129	69.8
150.96408	17.7
181.04729	13.3
280.93484	15.2
283.18362	23.7
333.14413	17.6
357.26471	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68969	0.3
54.83292	0.4
59.01382	100.0
61.76686	0.3
71.30077	0.4
95.44153	0.3
107.90431	0.4
112.00627	0.4
114.40022	0.4
117.96289	0.4
154.21724	0.4
168.35735	0.3
195.52061	0.3
201.64609	0.4
211.46266	0.4
225.22185	2.8
234.41104	0.4
253.21742	8.6
271.22806	64.7
272.23044	0.7
285.93045	0.4
285.96756	0.4
288.29788	0.4
297.18668	1.4
313.23886	33.7
349.73697	0.4
362.94662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79475	0.6
57.03470	0.8
59.01390	11.5
61.98838	1.6
62.95782	0.6
71.01434	0.8
96.76670	0.8
99.08130	0.7
104.50586	0.6
113.09715	2.8
114.78458	0.8
115.07636	1.2
121.02941	2.8
124.01675	1.2
137.09648	0.8
139.03972	1.0
139.11292	3.4
139.45264	0.7
142.17566	0.6
145.14551	0.7
155.10771	3.9
161.06027	1.2
161.15421	0.6
167.10789	7.1
176.98235	0.7
185.11888	0.8
189.05499	0.9
191.81241	0.7
197.23325	0.7
202.28403	0.7
214.12071	1.0
219.06734	1.5
239.20187	1.0
247.17018	0.8
252.06287	4.8
265.18094	13.3
283.19156	100.0
284.19437	1.3
306.51682	0.8
325.10858	0.8
357.13391	17.4
357.26587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.171
Annotation	Virolin
Peak:m/z	Relative Intensity
57.37191	0.7
59.01388	3.3
59.90253	0.8
75.54270	0.8
92.10194	0.8
108.02173	5.3
109.63647	0.7
121.02956	1.1
122.91191	0.9
123.04492	1.6
134.07837	0.8
136.01639	14.7
137.02429	10.4
138.03273	0.8
138.22600	1.1
138.99684	0.9
139.24123	0.8
139.45387	0.8
146.03732	5.8
149.06096	2.0
150.03210	3.4
151.04010	97.2
165.05522	2.0
174.06851	4.4
175.07643	100.0
181.05101	1.1
207.06641	2.0
213.09128	0.9
256.03683	2.0
256.14093	1.1
271.06180	1.0
277.08716	0.9
279.06439	1.6
295.09781	5.0
296.10699	1.9
297.07687	4.8
300.74649	0.9
311.09302	1.1
311.12820	1.3
312.10107	18.7
327.12436	20.6
342.14749	43.0
356.12753	4.9
357.13647	3.1
357.17117	72.2
374.13889	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	357.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02995	4.0
51.10999	4.5
52.32327	4.3
57.03463	12.1
57.56454	4.1
59.01385	22.7
71.01398	7.9
71.05037	7.6
72.38346	4.5
72.99303	42.7
79.51655	4.9
80.02720	5.8
81.03472	27.2
83.05035	100.0
84.95156	5.4
85.02951	5.0
88.04190	4.5
95.05019	9.5
97.06588	10.5
107.05038	33.5
109.06548	5.2
110.03753	7.5
111.00854	6.4
111.04514	7.6
111.08152	10.8
121.06597	5.8
123.04540	8.5
123.08177	10.6
125.02474	9.0
125.06066	7.2
125.09707	6.5
127.00539	4.7
134.95946	4.9
137.02261	5.1
140.43486	4.9
141.09230	19.9
141.18283	5.5
149.04831	7.1
149.09735	8.6
150.05612	11.2
153.09213	25.5
161.09706	8.1
163.11232	5.6
179.10797	54.1
195.10265	12.2
213.11403	11.5
215.09239	12.1
223.09731	7.7
225.11322	84.3
227.12506	5.3
243.12408	7.7
252.09805	6.8
275.16507	20.0
311.47147	4.7
321.17029	41.1
339.18082	6.7
357.22739	27.9
373.26431	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	357.135
Annotation	Matairesinol
Peak:m/z	Relative Intensity
55.01663	0.5
55.01888	8.1
57.03476	0.3
59.01381	4.7
66.96258	0.4
71.01365	0.6
83.01385	100.0
84.02170	0.7
92.10742	0.7
93.03435	0.6
97.06564	0.6
98.41149	0.5
108.02142	0.5
109.02946	0.8
121.02949	15.1
122.03732	28.4
123.04539	6.9
123.08262	0.4
135.04552	1.0
136.01640	0.6
136.05293	3.8
137.02490	1.7
137.06073	14.2
146.03748	0.8
147.04533	6.9
154.02704	2.2
161.06123	3.3
162.06857	1.9
164.04836	0.5
168.04228	1.0
188.04851	0.7
205.05110	0.7
209.08202	2.6
212.74574	0.5
221.08221	6.0
283.09485	0.5
298.12051	0.8
313.14435	2.6
342.11139	7.6
357.13513	73.3
357.22806	12.1
358.13641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.07494	0.2
59.01391	0.3
59.07991	0.2
61.98835	0.3
68.99561	0.5
92.10162	0.5
92.65005	0.3
93.03458	1.9
100.43676	0.3
101.32359	0.3
101.96468	0.3
108.02222	2.3
109.02967	1.0
112.98557	0.4
116.73593	0.3
121.02959	13.3
122.03746	4.4
123.00891	0.4
123.04524	0.4
134.03746	1.5
135.04575	0.6
136.01665	100.0
137.02457	4.6
147.04465	0.5
149.06157	0.4
151.04018	78.8
159.04614	0.9
160.05322	1.3
161.02452	0.3
162.03223	1.9
163.03998	1.7
164.04834	0.4
167.24414	0.3
175.03983	0.6
175.07677	0.5
176.04814	0.4
177.05592	1.8
179.03455	0.4
187.03996	0.5
189.05577	0.5
190.06387	0.3
205.05164	0.5
228.04224	0.5
271.06223	0.3
285.07779	0.5
311.12854	0.7
327.08908	0.4
342.11066	3.1
357.09689	1.9
357.13528	15.2
364.99219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1345
Annotation	Saururin A
Peak:m/z	Relative Intensity
59.01384	60.6
64.30035	1.1
73.56279	1.0
81.43306	1.1
102.55745	1.0
118.05151	1.2
121.02953	16.1
122.03713	1.6
134.03676	1.3
150.03212	1.4
160.05283	2.2
161.06085	57.1
162.06923	9.4
164.04829	1.2
165.05583	1.8
169.32350	1.2
176.04774	2.5
178.99313	1.1
182.16801	1.0
193.05074	1.4
194.05841	1.7
205.05138	18.0
206.05865	12.8
219.06648	2.3
220.07469	1.8
238.04848	88.2
252.06396	10.7
252.10924	1.2
268.07367	7.5
283.09595	3.8
325.10815	5.9
327.08890	1.9
327.12402	7.3
342.11096	10.0
357.13483	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	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82862	1.1
58.72142	1.0
59.01399	7.5
74.13824	1.4
78.95942	1.7
93.03464	6.3
96.96979	3.0
108.02223	3.4
109.03049	1.3
121.02949	22.9
121.06611	1.7
123.04536	2.9
131.05025	2.7
135.04568	2.4
145.02959	6.5
146.03732	2.0
147.04523	7.9
148.05307	2.6
149.02487	1.6
149.06102	13.3
150.03220	3.2
158.03786	2.7
159.04509	15.3
160.05353	13.9
161.06165	1.8
162.03221	2.8
163.04021	10.1
164.04636	1.5
165.05658	1.6
171.04582	1.7
174.03165	6.6
175.04025	21.6
175.07616	2.4
176.04846	2.2
177.05568	31.0
178.06358	16.9
185.02444	1.4
187.03926	4.4
188.04793	3.0
190.06387	7.0
191.03418	1.5
191.07164	6.7
191.08716	1.6
192.07866	2.5
193.05016	1.5
195.04565	1.9
197.06013	1.9
200.71352	1.4
203.07127	15.5
206.05859	7.6
207.08199	2.6
209.06073	2.6
209.11765	3.3
217.06543	2.2
219.08273	2.9
221.06100	5.4
221.08185	33.2
222.05351	10.9
223.07693	7.3
224.06894	8.1
225.05612	7.6
233.06070	6.0
234.06870	3.2
235.07568	11.9
237.05600	2.1
237.09190	1.7
239.07172	7.5
241.08777	3.1
245.06075	1.8
247.07722	2.4
249.05647	2.6
250.06352	1.7
251.07112	11.1
252.07834	2.4
253.05074	2.8
253.08725	8.6
261.05637	8.2
262.06363	4.7
263.07043	22.6
267.06757	11.2
268.07410	5.5
268.11121	1.4
269.08215	22.2
275.07339	2.0
279.06750	20.6
280.07361	9.9
281.08240	27.1
283.09799	5.5
291.06534	12.3
293.08289	9.8
294.09009	8.0
295.09766	2.1
296.10599	5.8
297.04370	2.8
297.07733	87.8
297.10880	2.9
306.09140	2.0
307.09799	2.5
308.07040	1.7
308.10483	2.1
309.07791	89.7
309.11310	10.9
311.09219	2.8
312.10120	38.5
313.10794	2.1
323.09299	14.3
324.10104	46.6
327.12439	100.0
339.12442	61.7
357.13358	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	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.93261	1.8
55.47178	1.8
56.87912	2.4
59.01382	78.8
59.01654	3.8
61.98840	2.8
71.01383	23.0
74.99084	2.6
85.02971	3.6
87.00832	2.4
89.02457	15.2
101.02465	12.8
102.09472	2.5
105.03451	2.6
108.02201	2.4
112.20213	2.2
113.02424	3.7
120.40675	2.5
121.02982	4.4
123.04502	9.0
133.02931	2.7
134.03763	3.3
135.04504	15.7
136.05305	21.3
144.76849	2.2
151.04047	4.4
151.07660	5.6
161.02591	2.2
162.03239	72.7
163.03961	2.8
177.01935	11.0
177.05577	76.4
178.02206	3.2
179.02399	4.2
195.06648	100.0
195.58035	2.1
204.00505	2.3
275.35733	2.4
344.17862	2.2
357.11911	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	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58962	1.1
59.01382	5.4
61.84937	1.3
78.95904	2.6
92.10144	1.4
93.03477	3.3
96.96958	6.2
108.02185	2.4
109.02986	1.5
119.05022	1.5
121.02950	23.3
121.06548	2.0
123.04464	1.4
134.03749	2.0
135.04520	3.2
145.02979	5.4
147.04529	8.3
148.05331	3.0
149.06044	10.3
150.03235	6.7
158.03749	2.7
159.04535	14.9
160.05350	15.0
161.06068	5.3
162.03238	7.8
163.04015	8.2
165.05547	2.3
174.03198	5.5
175.04034	23.7
175.07634	1.9
177.05586	31.3
178.06386	15.1
187.03978	3.3
188.04791	7.0
190.06358	9.5
191.07101	8.8
192.07854	2.4
196.51677	1.3
203.07164	16.8
206.05838	7.2
207.08139	2.7
209.06105	1.9
209.11774	2.2
210.05295	1.6
211.07686	2.0
219.08228	1.9
221.06145	5.2
221.08182	34.4
222.05328	8.5
223.07625	6.3
224.06906	8.4
225.05666	2.4
233.06076	6.0
234.06903	1.6
235.07640	9.2
237.05539	3.0
239.07156	9.0
241.08769	2.2
245.06201	1.6
247.07686	5.9
250.06345	5.6
251.07095	12.2
253.05115	2.8
253.08650	9.2
259.07532	1.7
261.05579	6.3
262.06458	2.5
263.07138	23.0
267.06659	10.9
268.07379	5.3
268.11273	1.6
269.08194	21.3
275.07159	2.3
278.05978	1.8
278.09265	1.8
279.06668	17.3
280.07346	8.4
281.08197	31.2
282.08871	2.4
283.09726	2.3
291.06677	13.2
293.08264	6.9
294.08881	6.9
295.09714	2.3
296.07040	1.7
296.10477	3.2
297.07736	81.0
307.10092	2.1
308.10617	3.2
309.07782	79.8
309.11313	10.2
311.09265	2.4
312.06720	2.1
312.10107	37.1
313.11069	1.7
323.09387	10.8
324.10098	44.8
325.10132	1.5
327.12436	100.0
339.12421	61.7
357.13553	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	357.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31735	0.2
52.46312	0.2
53.71309	0.2
56.05658	0.2
57.03458	0.4
59.01386	4.5
71.01388	2.4
72.99301	2.1
73.02950	1.3
75.00875	10.4
76.10618	0.2
78.95924	0.9
85.02967	2.0
87.00883	37.3
89.02452	1.7
92.10786	0.3
96.96941	1.7
99.00879	6.2
101.02444	2.2
105.01939	35.1
109.02972	0.3
111.00934	0.2
113.02446	0.4
117.01949	1.6
119.03513	0.2
127.03994	0.3
129.01938	1.2
131.70761	0.2
135.02994	1.2
138.97974	0.2
147.03003	5.2
165.04045	100.0
166.04352	0.4
191.05635	5.6
259.02164	0.3
351.41879	0.2
357.10379	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	357.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.4
59.01382	8.3
61.98840	0.4
65.18932	0.3
71.01389	2.7
72.99305	7.0
75.00874	64.5
81.80866	0.3
82.95437	0.3
84.99332	0.4
89.02444	11.5
117.01935	3.7
127.21281	0.3
135.02997	100.0
145.06161	0.4
161.02242	0.4
177.09238	0.5
219.10268	0.3
246.53929	0.3
362.10876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0984
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
58.78281	0.5
59.01395	1.0
61.98843	0.7
70.53872	0.5
73.15641	0.5
77.74607	0.5
79.93522	0.6
83.14367	0.5
83.75822	0.5
84.67524	0.6
84.78386	0.5
93.03466	1.0
94.55981	0.5
95.07728	0.5
100.44283	0.6
102.80595	0.5
107.05030	0.8
107.82939	0.6
119.04969	4.4
121.02962	2.4
133.02974	1.8
134.03731	3.6
135.04507	6.6
147.04506	4.4
148.05309	31.8
149.06110	4.0
150.03252	0.7
151.03979	1.1
159.04543	1.3
160.05299	11.8
161.06079	25.2
162.03163	4.3
163.04018	3.6
165.05577	0.7
174.06827	0.6
175.04086	0.6
176.04803	0.6
177.05586	0.9
180.04292	3.7
204.04303	6.7
205.05075	31.3
209.36790	0.6
212.39308	0.5
221.04587	2.4
224.03236	2.1
227.16458	0.6
252.08052	4.3
253.08830	0.7
255.09879	0.7
265.08829	4.5
266.09509	0.6
267.10260	3.5
283.06622	1.1
283.09775	33.5
295.09772	19.3
311.09314	0.8
313.10876	7.6
327.08844	5.9
328.83673	0.6
339.08762	8.7
357.09848	100.0
358.10205	1.1
358.18796	0.7
372.62399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44800	0.2
61.98841	100.0
73.11013	0.2
85.03931	0.2
92.10182	0.2
104.00029	0.2
131.01917	0.2
131.58701	0.2
136.20697	0.2
152.19649	0.2
163.74792	0.2
220.14655	0.4
221.15442	0.9
236.10594	0.3
303.16028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.3
61.98839	100.0
84.00916	5.9
121.84141	0.9
272.23090	1.1
356.20667	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	356.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69289	0.2
51.89778	0.2
59.01383	0.5
61.98831	100.0
63.82263	0.2
67.70428	0.3
68.62221	0.2
136.61725	0.3
260.96811	0.3
305.67529	0.3
326.27802	0.3
327.58432	0.3
327.81195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56024	0.2
61.98832	100.0
64.89572	0.2
73.66386	0.3
94.17735	0.3
127.08138	0.3
148.60568	0.3
170.98473	0.3
339.87216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49300	0.2
61.08079	0.2
61.98837	100.0
89.44930	0.2
89.55753	0.2
114.02518	0.3
114.95691	0.2
115.63667	0.2
232.50713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09457	1.6
57.36017	1.6
61.98838	100.0
67.98843	1.5
70.09566	1.8
78.41448	1.7
81.63035	1.9
84.00913	43.9
129.84709	1.9
138.06310	1.9
159.80508	2.0
225.22241	21.5
271.22803	28.1
294.28912	3.7
356.20587	15.9
356.29108	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3222
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
55.01886	0.9
57.02495	0.9
92.10935	1.8
193.95699	1.1
193.97655	1.1
251.22623	1.0
264.56650	1.0
269.86908	1.0
309.31729	5.0
355.32236	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	355.322
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
50.76741	0.8
71.58148	0.8
74.62720	0.7
75.10455	0.9
92.93954	0.9
101.06074	2.0
102.91403	1.0
276.46188	1.0
309.31741	1.1
337.31018	1.1
351.84015	1.0
355.32214	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	356.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40425	0.6
59.01386	12.0
60.01725	0.7
60.38120	0.6
60.99315	19.3
61.98842	1.3
63.90150	0.5
64.34450	0.6
71.01374	6.3
85.02972	2.6
88.04041	0.6
88.98804	100.0
89.02444	8.4
96.96049	0.7
101.02435	3.7
102.02805	0.8
113.02430	1.6
114.05617	0.7
119.03479	0.7
126.05624	0.8
134.04741	0.7
140.07114	1.2
154.05133	1.1
156.89258	0.7
161.04559	1.1
179.05647	0.9
182.08252	1.2
274.09244	0.7
290.74603	0.7
295.14001	2.7
296.14450	4.7
318.15356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0991
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01381	2.5
65.00801	0.2
71.01380	1.1
82.83925	0.2
85.02959	0.6
89.02454	0.5
92.10133	0.9
104.05035	0.3
106.06628	100.0
108.08203	5.8
113.02458	1.4
118.06651	0.4
130.06569	0.3
131.03763	1.7
131.45930	0.2
146.06114	1.0
150.05615	34.7
162.05643	0.3
164.07179	7.7
174.05605	0.4
174.73753	0.2
192.06691	4.0
193.80759	0.2
194.04593	14.8
224.52808	0.2
236.05742	2.3
296.07712	2.2
306.28458	0.3
356.09924	5.3
357.09634	0.3
367.45917	0.3
370.61194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51975	0.2
59.01373	1.8
59.09129	0.2
71.01379	1.2
85.02960	0.9
92.10718	0.4
101.02432	0.3
104.05066	0.9
106.06628	100.0
107.06985	0.3
112.48465	0.3
113.02472	0.9
118.06619	2.6
120.08173	0.4
146.06125	1.3
150.05614	51.3
158.26842	0.3
162.05653	0.3
164.07182	9.0
192.06683	5.5
194.04585	6.3
236.05640	0.3
296.07745	1.3
343.88965	0.2
356.09927	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	355.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07246	13.7
56.84885	13.7
59.01390	21.6
61.10838	11.7
61.98824	100.0
107.05028	29.1
122.31026	13.0
125.09721	16.0
135.08153	20.4
185.11855	16.4
231.84612	14.5
262.88217	14.7
287.46951	17.9
313.14490	57.9
370.93701	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	355.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82447	0.6
51.85574	0.6
53.09669	0.6
53.34139	0.6
57.03467	1.6
59.01395	8.2
71.01388	0.6
85.62152	0.7
90.83197	0.7
91.03984	0.8
92.10869	1.7
95.05025	1.2
97.06595	1.1
101.06471	0.7
111.08161	1.1
113.09737	3.2
125.06129	1.3
126.06873	0.9
137.09724	3.8
139.07669	0.8
139.11288	4.3
141.09238	7.0
152.73048	0.7
153.09184	1.1
155.10776	1.0
165.12851	8.1
167.10768	3.1
183.10289	1.3
191.14474	1.0
192.71448	0.8
212.10626	2.7
219.17545	8.7
220.77299	0.7
237.18712	1.1
245.15414	1.7
263.16547	30.6
281.17590	100.0
286.14301	1.4
347.74835	0.8
355.21292	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	355.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82447	0.6
51.85574	0.6
53.09669	0.6
53.34139	0.6
57.03467	1.6
59.01395	8.2
71.01388	0.6
85.62152	0.7
90.83197	0.7
91.03984	0.8
92.10869	1.7
95.05025	1.2
97.06595	1.1
101.06471	0.7
111.08161	1.1
113.09737	3.2
125.06129	1.3
126.06873	0.9
137.09724	3.8
139.07669	0.8
139.11288	4.3
141.09238	7.0
152.73048	0.7
153.09184	1.1
155.10776	1.0
165.12851	8.1
167.10768	3.1
183.10289	1.3
191.14474	1.0
192.71448	0.8
212.10626	2.7
219.17545	8.7
220.77299	0.7
237.18712	1.1
245.15414	1.7
263.16547	30.6
281.17590	100.0
286.14301	1.4
347.74835	0.8
355.21292	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	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.10401	1.2
55.62849	1.5
66.14851	1.4
88.57854	1.4
92.10165	3.2
122.03760	9.4
127.07613	1.7
135.04515	25.4
136.01637	1.8
145.22771	1.7
147.08163	6.7
149.06114	2.0
149.09718	13.8
149.27475	1.4
161.09723	19.0
163.07686	3.8
163.11290	66.5
164.08421	21.6
165.09288	5.7
177.09215	100.0
178.09964	19.1
179.10788	67.6
187.11292	2.6
191.10764	10.4
193.08748	6.1
193.53697	1.6
280.14703	3.4
298.15750	35.2
307.17178	2.9
309.22269	1.6
337.21793	62.5
340.20465	90.8
355.22791	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2855
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
50.12441	1.1
50.85337	1.2
54.82889	1.7
61.98840	3.2
121.82944	1.3
135.00891	1.7
137.02515	1.7
142.98291	1.5
293.28522	84.0
307.32126	1.8
323.23154	1.5
337.27466	22.5
355.28580	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	355.1555
Annotation	Juglanin A
Peak:m/z	Relative Intensity
52.60533	1.2
56.58211	1.1
58.88434	1.2
59.01399	10.1
67.50160	1.2
82.60464	1.4
90.04010	1.2
92.10789	4.0
93.14262	1.3
105.03458	3.0
114.66296	1.2
118.17095	1.9
137.02481	2.4
148.05322	6.0
149.02393	2.2
149.06100	5.2
151.04005	2.4
160.01646	2.9
161.02454	78.9
162.03198	2.7
163.07579	1.9
176.64275	1.4
182.29456	1.2
220.08961	1.5
225.09216	2.9
226.10007	5.3
236.08333	2.6
238.09938	2.5
239.07101	1.9
251.10846	1.8
253.08826	2.3
254.09465	2.3
263.06955	1.4
263.10663	9.9
264.07874	18.5
265.08673	6.9
266.09338	3.0
269.04639	2.3
279.10251	2.1
281.08383	5.1
281.11514	1.4
291.06683	2.7
292.07394	17.0
293.08136	21.3
294.08978	2.9
295.05914	1.9
307.09769	23.3
309.07764	10.3
309.11166	2.3
310.08478	72.9
324.10159	16.1
325.10837	72.4
339.12424	12.6
340.13177	90.3
355.15549	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	355.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.2
57.03461	2.8
58.00595	1.5
59.01382	100.0
61.98841	3.2
71.01376	45.9
73.02941	11.5
74.85334	1.3
77.49561	1.2
82.26862	1.6
85.02939	18.4
87.00894	2.4
88.98802	1.6
89.02441	29.6
89.02917	1.4
94.66199	1.3
95.01398	2.7
96.96035	1.9
99.00893	2.8
101.02441	37.7
112.60457	1.4
113.02438	26.4
119.03470	13.2
125.88168	1.7
133.08725	3.4
143.03645	1.4
159.03137	1.8
161.04558	11.8
193.73363	1.5
225.77834	1.4
295.13980	76.1
329.27338	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	354.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68912	0.1
61.98834	100.0
71.26997	0.1
74.93299	0.2
91.51829	0.2
91.63999	0.2
92.10792	0.4
105.91981	0.2
106.59742	0.2
129.76602	0.2
134.31290	0.2
186.05156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0827
Annotation	8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
59.01389	1.0
60.16025	0.7
88.22346	0.8
88.36790	0.9
92.10053	1.0
96.36688	0.8
118.04224	5.7
130.04205	1.3
131.05017	1.4
144.61693	0.8
146.03754	1.4
147.04506	1.3
154.79211	0.8
159.04482	3.3
162.03239	4.9
174.03259	4.5
189.13042	0.8
190.02733	11.0
202.02734	23.9
203.03522	100.0
219.03062	5.8
222.01823	6.0
223.17567	0.8
252.02728	1.6
270.47983	0.8
309.07874	1.2
317.02872	0.9
325.07062	7.3
337.07108	7.1
355.08264	89.1
356.08804	1.8
365.80823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81692	0.7
55.85561	0.6
56.26244	0.6
59.01392	3.3
61.98843	3.7
67.11204	0.7
71.01366	0.8
73.02948	0.7
87.00871	1.4
88.10308	0.6
114.05614	0.9
119.05010	0.9
133.02924	1.4
134.03740	100.0
137.02460	2.6
139.03973	1.1
149.06078	20.4
163.07628	0.8
174.01711	14.2
175.02531	0.9
175.03970	0.7
178.02748	16.5
191.05630	1.7
191.07184	1.7
192.05920	1.0
193.05037	49.6
235.06160	1.2
261.53720	0.7
267.93472	0.9
273.71942	0.7
295.08221	4.0
355.06717	1.1
355.10367	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	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47842	1.1
59.01391	7.4
65.26733	1.0
71.01388	3.1
73.02950	2.6
77.33870	1.1
83.01389	2.4
85.02980	5.6
87.00886	6.2
92.10750	2.5
115.00379	7.3
134.04750	2.3
161.06084	2.1
164.04733	1.9
174.01703	67.2
175.02440	1.9
179.07132	3.0
209.08223	1.9
217.05000	1.4
221.08215	1.8
237.07675	2.4
265.07224	7.1
291.74823	1.2
295.08252	11.9
355.10400	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	353.2337
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
54.60753	3.1
56.98000	3.0
59.01386	21.4
61.98832	7.4
78.66457	3.7
80.02691	4.8
84.02188	6.8
97.06602	3.7
99.08192	4.6
110.52486	3.1
129.09227	26.5
141.09212	17.1
173.08163	3.8
191.14346	6.6
200.60306	3.5
211.13385	34.7
223.13449	32.1
235.13362	64.6
253.14546	7.4
294.70120	3.4
317.21240	4.7
335.22266	17.6
353.19452	6.3
353.23386	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	353.3063
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
54.82864	0.8
59.01357	0.9
80.57058	0.9
85.04845	0.9
87.10009	0.8
91.55296	1.0
93.53060	0.9
158.09636	1.0
191.05438	0.9
255.23192	1.2
273.75244	0.9
293.25009	1.5
309.31525	2.1
353.30643	100.0
354.31122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11683	1.4
59.01384	2.7
64.36563	1.3
79.95741	10.8
94.00197	1.3
95.95258	2.6
96.95998	100.0
122.97573	6.5
177.24751	1.6
198.04988	1.3
353.15695	3.1
353.20084	93.6
354.20221	1.8
366.26938	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	353.2126
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.81417	0.2
54.82279	0.3
65.75437	0.2
72.18771	0.3
75.32269	0.2
89.12381	0.3
147.08131	0.3
163.11290	100.0
164.11511	0.3
177.09215	71.0
181.44763	0.3
222.08994	0.5
222.28065	0.3
353.21265	69.7
354.21570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94819	0.2
59.01382	13.8
61.80659	0.2
61.94282	0.2
64.35129	0.3
71.72796	0.2
80.91661	0.5
153.43370	0.3
223.20654	0.4
225.22223	6.1
233.67192	0.3
253.21776	1.9
269.21149	1.5
271.22815	100.0
272.23190	1.5
291.19406	4.5
293.21033	4.0
337.20090	1.6
350.03726	0.3
353.23148	12.7
369.40353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18568	0.6
51.27722	0.6
56.99569	0.5
59.01408	0.8
77.51572	0.6
79.27843	0.6
80.91697	0.9
92.65916	0.6
95.38381	0.6
160.96974	0.6
197.19150	0.8
201.60596	0.6
216.58382	0.6
223.20721	5.0
223.71455	0.7
225.22267	76.7
253.21796	0.8
271.22812	100.0
321.86395	0.6
353.23306	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	353.2335
Annotation	8-iso-13,14-dihydro-15-keto-PGF2alpha
Peak:m/z	Relative Intensity
53.02519	1.9
53.91081	1.7
57.03465	1.6
59.01377	18.9
69.76066	1.8
71.01391	2.7
75.78688	1.7
83.05033	2.5
84.82616	1.7
85.02951	3.6
88.33588	1.7
92.66132	1.9
97.06614	9.8
140.83846	1.8
141.09181	2.4
163.72813	1.9
165.12939	2.2
193.15932	4.0
197.11813	4.5
218.12492	1.8
225.17130	1.8
237.14960	17.4
255.16051	10.3
317.21136	2.3
335.22177	2.3
353.23380	100.0
354.23526	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	353.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94667	9.7
59.01390	100.0
61.45823	11.5
70.83213	11.4
74.24546	11.8
76.57310	11.5
100.82957	12.7
137.02437	18.1
353.10464	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	353.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56618	0.6
54.09568	0.6
59.01386	100.0
67.66743	0.7
71.01379	4.2
73.02957	1.3
73.42049	0.6
83.01409	0.7
83.21514	0.8
84.40710	0.7
85.02938	1.5
87.00828	0.9
87.15467	0.7
89.02458	1.0
101.02434	4.0
111.00884	1.6
113.02463	1.3
113.74036	0.8
147.04526	4.3
159.02724	0.9
161.04541	1.4
191.05614	9.1
293.16208	7.3
305.80463	0.9
326.89572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82777	0.3
59.01379	0.7
61.98842	0.4
73.12489	0.4
73.16000	0.3
77.54999	0.3
87.36655	0.3
111.19901	0.3
113.39050	0.4
119.05024	100.0
120.05429	0.6
132.08957	0.3
145.30202	0.4
155.23239	0.3
163.04024	48.3
191.05673	0.5
208.42291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.6
57.03456	93.4
59.01386	87.7
71.01384	81.2
71.01772	2.4
72.99306	14.2
73.02950	28.6
76.60729	1.9
79.05534	4.4
81.03516	2.3
83.01418	11.4
85.02979	11.6
87.00917	8.3
87.48228	1.8
89.02446	29.1
91.30206	1.9
92.58257	1.8
96.99354	2.3
99.04522	75.6
101.02447	77.1
108.92890	1.7
110.02493	12.5
110.32770	1.7
111.00890	2.2
112.98828	4.2
113.02489	7.5
113.06098	9.4
115.00459	2.0
119.03527	26.8
123.04547	15.7
125.02451	20.7
129.01955	100.0
131.03534	2.5
142.99893	10.2
143.03484	2.9
147.03017	33.8
147.06612	3.5
161.04587	94.4
173.00978	2.7
191.05667	4.2
209.06689	15.3
233.06654	2.7
263.07718	29.4
291.09805	3.0
293.12534	2.9
353.10895	17.7
353.14706	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	353.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40411	1.8
59.01374	10.9
66.91417	2.0
71.01376	8.5
71.05022	2.1
75.99070	2.1
83.04998	2.2
97.02971	2.2
99.00871	15.5
121.01658	2.2
125.09682	10.1
153.39134	1.9
163.11310	10.1
181.12346	29.3
199.13409	19.7
207.10278	28.5
209.11838	54.6
225.11307	59.5
227.12907	25.9
243.12387	40.1
257.13992	2.6
317.16095	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	353.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	3.9
57.03462	27.7
58.00602	1.7
59.01389	62.0
64.35194	1.6
67.01907	3.1
71.01386	99.9
71.01778	3.4
72.99294	16.8
73.02959	10.8
74.52819	1.5
78.56971	1.6
83.01386	2.5
83.44305	1.7
85.02953	20.8
87.00868	19.2
89.02448	34.6
92.50715	1.7
93.03448	7.1
96.99319	2.1
99.00877	32.5
99.04515	20.3
101.02436	20.3
102.57388	1.8
111.00893	30.8
111.04528	2.5
112.98810	100.0
113.02434	9.9
115.00384	11.9
119.03478	8.6
129.01936	92.8
137.02441	1.8
141.83733	2.1
142.99866	30.5
143.03534	4.3
145.01443	3.3
147.03000	48.1
159.03035	1.9
161.04573	30.8
165.51805	1.6
173.00926	21.1
173.04506	10.7
175.02448	2.7
176.64816	1.8
179.05554	3.1
191.05653	8.2
198.29488	1.7
210.81825	2.0
225.82266	1.7
350.05899	2.1
353.11060	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	351.2178
Annotation	Cinncassiol D4
Peak:m/z	Relative Intensity
57.19371	3.7
59.01375	16.1
59.97096	3.4
71.01371	5.6
80.02667	3.8
89.13866	4.0
102.16730	4.0
108.30672	3.7
127.07630	7.9
153.09198	7.3
155.10747	7.8
171.29066	4.2
178.09906	6.6
191.14372	7.4
192.60144	4.4
192.95854	4.6
197.11800	4.6
211.13412	18.9
220.72624	3.8
223.13353	16.2
235.13380	69.8
240.24518	3.8
264.13705	7.5
315.19644	6.6
333.20737	100.0
351.21753	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2181
Annotation	Cinncassiol D4
Peak:m/z	Relative Intensity
54.58276	3.7
54.83206	5.4
56.52520	3.5
57.92496	3.8
59.01400	18.6
59.19580	3.7
59.87985	3.6
64.35232	4.2
71.01385	6.6
79.46439	6.2
84.02168	5.2
96.94918	4.2
100.47756	4.0
129.54584	4.8
138.70192	5.1
178.10085	5.0
191.14420	8.6
223.13571	5.5
234.74222	3.9
235.13391	100.0
315.19693	5.9
333.20761	54.2
351.21783	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	353.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30741	0.4
54.82452	0.5
63.02399	7.3
63.29259	0.4
65.00320	11.0
80.91665	5.6
81.89632	0.5
83.01391	9.1
88.22864	0.4
93.03452	10.1
107.01392	23.0
119.05019	66.3
125.02477	0.5
137.02414	0.6
145.02954	1.0
151.00375	62.0
156.88585	0.5
161.06075	0.8
165.01942	2.3
169.01360	3.4
177.01926	7.8
185.06093	0.7
187.03996	1.0
227.07018	0.6
265.94745	0.6
271.06146	100.0
272.06393	1.8
293.04559	0.6
370.23993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98837	3.0
63.88166	1.3
71.01371	1.6
73.49278	1.4
85.02970	1.4
85.87135	1.3
86.36471	1.6
101.02430	2.2
161.04590	1.8
291.14456	5.7
306.69330	1.5
309.16901	1.8
321.33328	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	351.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42357	1.1
55.61530	1.0
59.01382	16.6
61.98838	2.3
85.78233	1.2
91.84607	1.2
92.10750	2.8
161.85431	1.2
174.37454	1.2
223.20671	6.2
251.23869	5.0
256.88782	1.1
263.19763	1.3
269.21246	100.0
291.19446	80.0
313.23846	7.8
331.84641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14589	1.1
53.07613	1.2
57.03450	6.6
58.00597	1.9
59.01386	7.7
73.02944	19.7
73.79708	1.4
78.94002	1.5
85.02941	15.6
106.09880	1.8
131.39812	1.6
259.39206	1.4
277.21667	14.6
289.21790	2.6
307.22797	100.0
329.93106	1.6
351.21710	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	351.2179
Annotation	2,3-Dicarboxy-2,3-secomanoyl oxide
Peak:m/z	Relative Intensity
50.14589	1.1
53.07613	1.2
57.03450	6.6
58.00597	1.9
59.01386	7.7
73.02944	19.7
73.79708	1.4
78.94002	1.5
85.02941	15.6
106.09880	1.8
131.39812	1.6
259.39206	1.4
277.21667	14.6
289.21790	2.6
307.22797	100.0
329.93106	1.6
351.21710	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	349.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82406	0.5
59.01395	3.0
76.72067	0.6
88.74820	0.6
93.03457	2.8
93.23546	0.6
96.95984	0.8
121.02974	6.9
122.03741	16.8
136.01614	1.1
139.04008	1.2
149.02449	36.4
150.03235	100.0
153.05559	5.9
159.00461	0.7
164.04778	6.2
165.05571	83.6
166.05898	0.7
166.21146	0.7
171.15332	0.7
180.04239	7.7
195.06625	35.4
286.08423	5.8
295.47519	0.7
301.10910	9.9
302.45560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83162	1.8
53.44249	1.7
53.52082	1.8
62.90806	2.1
158.17114	2.4
163.11278	3.6
179.33681	2.3
227.69427	2.4
293.21280	65.8
311.22278	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	349.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94950	0.6
59.01385	18.9
61.48618	0.5
112.91541	0.6
119.47231	0.7
178.26469	0.7
189.40504	0.6
222.64561	0.7
253.21777	0.7
267.23331	100.0
329.42599	0.7
349.23709	20.7
372.70569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04002	0.2
54.77352	0.2
57.67906	0.2
60.28776	0.2
61.98831	100.0
68.17805	0.2
73.39420	0.2
88.24996	0.2
89.13563	0.2
91.48067	0.2
107.01421	0.3
135.04536	2.7
151.00386	2.5
198.42715	0.2
203.59753	0.2
205.12151	0.2
225.61409	0.2
228.83519	0.2
287.05496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.3
59.01391	1.7
61.98838	100.0
62.06026	0.3
63.02393	0.6
65.00339	1.7
83.01404	2.0
107.01387	1.7
109.02940	0.5
119.89160	0.4
123.04504	0.5
124.01615	0.8
125.02442	21.7
151.00371	2.4
152.01160	1.5
173.06049	0.5
177.05586	4.2
192.41373	0.4
199.07657	0.4
201.05589	2.6
213.05730	0.6
215.07103	0.8
220.74373	0.4
243.06616	2.4
250.30917	0.4
259.06110	13.9
269.04688	0.9
287.05624	22.2
312.10489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95822	1.3
57.03481	2.5
59.01390	100.0
59.82621	1.7
61.98837	2.2
66.06888	1.6
69.23594	1.5
71.01395	13.1
76.58079	1.6
85.02959	2.7
89.02464	8.1
90.90028	1.5
99.33206	1.8
101.02432	6.4
108.55399	1.8
113.02457	3.8
117.46667	1.7
119.03525	3.0
124.14049	1.8
129.05565	16.8
152.79350	1.7
161.04529	3.3
211.98834	1.9
273.62863	1.8
291.10995	16.6
351.13229	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	348.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.69938	0.4
61.98834	0.4
62.22573	0.3
77.28454	0.3
107.90388	0.4
114.66593	0.3
121.49795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22359	4.1
59.01379	100.0
71.01397	24.3
85.02930	7.8
89.02458	11.2
92.10763	21.1
100.12015	5.1
101.02466	11.8
107.05032	84.2
112.08037	5.8
159.03186	5.1
187.57123	4.5
190.08797	5.6
218.11842	6.5
221.77502	4.6
233.09305	12.1
245.09154	6.7
287.10553	10.2
313.09351	10.3
331.09406	11.4
349.10455	28.1
349.14883	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	349.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05326	0.5
59.01395	1.6
61.98827	1.0
65.43742	0.7
67.35399	0.5
93.03436	1.2
95.05047	1.1
96.96037	1.0
100.63468	0.6
101.02464	0.7
108.54877	0.7
113.38358	0.7
116.92923	0.7
121.02993	7.9
122.03738	6.2
123.04496	2.3
136.07668	1.4
138.09270	0.8
139.04002	7.2
147.04454	0.7
149.02454	100.0
150.03242	41.5
150.04478	0.8
153.05553	5.1
164.04817	14.7
165.05574	29.3
180.04300	2.4
182.38245	0.6
193.13914	0.6
195.06670	9.0
241.92053	0.7
257.08212	1.4
286.08481	29.4
301.10858	62.0
337.21393	0.7
349.14111	2.7
349.18555	0.8
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	Unknow
Peak:m/z	Relative Intensity
59.01386	28.4
61.92477	5.4
89.49719	6.6
93.50596	6.0
94.34483	5.8
106.81940	5.9
116.10027	7.4
120.16706	6.0
131.62080	6.6
166.06369	29.0
181.08696	12.8
209.11824	100.0
238.20033	6.5
347.18613	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	347.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	30.8
61.98833	37.1
67.23478	2.5
95.05054	5.5
167.10815	4.5
205.89838	3.0
250.08217	14.0
265.18097	22.6
287.16324	5.9
294.35803	3.2
296.34442	3.0
311.22342	100.0
348.26703	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	347.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40288	0.3
58.32879	0.4
59.01384	100.0
61.98829	0.7
79.88890	0.4
79.94805	0.5
89.97211	0.4
213.15036	3.3
345.41782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11077	1.2
59.01394	20.4
61.98837	1.8
64.34159	1.6
66.19690	1.3
156.28888	1.4
157.19408	1.8
178.35979	1.8
265.21719	100.0
308.04935	1.6
309.37140	1.6
347.21957	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	348.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82217	8.6
59.01395	62.4
62.84693	9.8
99.56028	12.0
134.70760	10.6
152.61911	10.3
198.12164	25.0
262.29608	10.1
310.21130	100.0
312.22705	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61512	6.3
58.57809	6.1
59.01394	9.3
63.01655	5.3
70.64205	6.9
73.45927	6.2
87.16808	7.0
92.10726	8.8
114.20430	6.6
197.11815	15.9
198.12175	42.6
198.32993	7.1
212.13750	8.1
310.21075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1501
Annotation	CHEBI:70593
Peak:m/z	Relative Intensity
57.03468	1.0
59.01387	0.9
62.22822	0.5
66.44990	0.6
92.10698	0.8
93.03458	0.8
93.26807	0.5
95.01385	0.6
108.02190	2.6
121.02946	4.6
121.06535	0.8
122.03732	6.7
123.04526	5.8
124.01655	2.7
125.02444	1.3
135.04527	2.6
136.05325	2.8
137.02429	3.6
138.03249	0.9
146.03680	0.7
149.02359	0.7
149.06091	21.1
150.06874	1.3
151.00398	0.9
151.07664	11.5
152.01134	4.5
163.04016	2.2
163.07677	1.1
164.04787	4.9
165.05524	2.8
175.07681	1.1
177.05629	2.1
178.06384	2.1
178.99768	1.8
180.04262	6.1
191.07193	4.7
192.07912	6.9
193.08675	5.3
206.05841	3.6
224.06876	4.5
265.10721	0.6
287.13031	3.1
309.10791	0.5
314.11542	0.6
329.13989	100.0
330.14316	1.0
347.07971	5.8
347.14975	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	347.1504
Annotation	CHEBI:70593
Peak:m/z	Relative Intensity
59.01387	0.6
59.53732	0.4
69.09986	0.5
69.76790	0.4
73.87657	0.4
82.26449	0.4
83.01408	0.4
86.27917	0.5
108.02185	2.7
121.02970	4.4
121.06568	0.6
122.03740	6.9
123.04514	5.3
123.26624	0.4
129.16992	0.5
135.04544	1.8
136.05290	2.2
137.02460	2.6
138.03215	0.5
148.05315	0.9
149.04897	0.7
149.06093	16.7
150.06850	2.3
151.07658	10.8
154.02757	0.5
163.04012	3.0
163.07622	0.6
164.04807	5.6
165.05548	2.7
174.36792	0.5
175.07622	2.0
177.05560	2.4
178.06355	1.0
180.04294	5.7
182.05821	0.7
190.06400	0.6
191.07230	4.5
192.07912	7.2
193.08684	5.0
206.05861	2.9
207.06480	0.6
224.06873	3.5
287.12973	2.3
311.12924	0.6
314.11600	0.7
329.13986	100.0
330.14114	0.5
347.15112	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1502
Annotation	1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol
Peak:m/z	Relative Intensity
59.01400	0.6
60.11916	0.4
64.34686	0.3
76.03881	0.3
92.85171	0.4
107.05070	0.7
108.02186	2.2
109.02956	0.4
121.02952	5.3
122.03741	8.5
123.04510	2.9
125.06085	0.8
134.03728	3.3
135.04524	38.8
135.08502	0.4
136.05321	6.3
137.02461	1.7
147.04518	3.1
148.05290	3.2
149.06058	5.3
150.03156	0.4
151.04012	1.6
151.07697	0.5
161.06088	12.8
163.04051	3.3
164.04771	0.7
165.05579	0.6
166.06355	3.4
167.07172	3.0
168.04237	0.6
179.03563	0.5
179.07278	0.5
180.07925	46.2
181.08713	16.9
182.05890	2.2
190.06387	1.9
191.07144	1.4
192.07930	11.1
193.08708	18.0
194.05843	5.6
195.06639	2.4
209.08258	5.5
210.08942	0.8
212.06902	4.7
213.24435	0.4
259.84494	0.4
265.08698	0.5
269.08237	1.5
283.09747	2.2
285.11398	1.5
297.11331	2.0
299.09296	0.8
299.12805	0.5
302.11517	0.5
313.10803	3.4
314.11639	8.4
317.11118	0.7
317.13959	34.1
329.13925	16.8
347.15024	100.0
348.15384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.056
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
53.63163	0.3
62.09652	0.3
63.73251	0.3
78.95902	100.0
96.96958	24.8
107.03638	1.5
134.04738	18.1
138.97975	1.4
150.98004	2.5
192.99178	0.8
211.00171	0.9
298.09128	0.4
331.83609	0.4
346.05630	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	346.2752
Annotation	Anandamide
Peak:m/z	Relative Intensity
54.82271	2.1
58.02980	16.2
59.92070	1.7
72.87578	2.0
82.06633	3.7
91.73435	1.7
102.58730	2.2
128.10800	54.2
319.02332	2.1
346.27554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	99.1
190.13832	81.6
204.44066	81.0
239.35191	78.0
247.20821	100.0
275.42258	79.5
349.98709	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19407	0.8
59.01398	4.4
60.00421	0.9
61.98835	1.8
62.73282	0.9
67.29524	0.9
69.85306	0.9
70.58342	0.9
72.99308	100.0
73.05030	1.1
115.55313	1.0
115.71786	0.9
122.48982	1.2
151.44815	1.2
173.09589	1.1
183.22905	0.9
237.05771	1.0
327.31921	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2284
Annotation	oscr#20
Peak:m/z	Relative Intensity
53.40627	0.3
55.01875	0.5
57.03456	2.1
59.01382	1.0
61.74258	0.4
61.98841	0.6
65.33675	0.4
70.05595	0.4
71.05021	0.6
83.05027	3.6
84.02160	0.7
85.02991	0.9
85.06587	0.6
97.06590	0.6
99.08149	4.7
105.36820	0.4
108.02141	0.6
109.02959	0.4
109.06627	0.5
111.08172	1.0
112.35533	0.4
113.09738	0.8
115.07617	0.4
118.17649	0.4
119.05059	0.8
121.02951	0.7
123.08147	2.7
125.09720	0.9
129.09253	1.1
130.13773	0.6
135.04524	0.7
137.09659	1.4
137.11433	0.4
139.11342	3.1
141.09238	2.9
141.12758	0.5
144.46471	0.5
149.06049	0.8
151.00377	0.5
151.11255	2.2
153.12901	0.9
154.59419	0.5
155.10780	0.4
163.11305	0.7
177.05542	0.7
181.12354	12.4
183.10289	0.8
187.09796	0.5
191.88795	0.4
210.05452	0.9
227.12921	2.4
245.13939	2.6
285.11356	1.7
297.11624	0.5
315.12506	4.0
327.08694	1.7
343.21466	0.5
345.13846	9.0
345.22861	100.0
346.23108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83482	0.3
59.01384	30.5
60.01723	3.4
61.01819	0.5
61.40973	0.3
61.98835	100.0
64.96272	0.3
67.69586	0.3
70.55138	0.3
79.07375	0.3
85.66350	0.3
86.05586	0.3
87.42883	0.3
91.60509	0.3
92.10816	0.8
103.52097	0.4
130.18202	0.3
159.03262	0.5
160.01636	0.6
161.01166	0.4
182.96628	0.3
201.02621	3.4
202.02705	9.3
203.02301	9.7
204.00017	36.3
204.02687	2.7
214.12958	0.4
244.34430	0.3
346.00845	0.5
346.04514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82737	0.3
59.01390	100.0
70.63908	0.4
71.01383	0.7
111.97478	0.3
112.78806	0.5
121.02934	0.6
162.18300	0.4
178.10596	0.4
209.10121	0.4
211.13438	7.3
213.64375	0.4
222.90111	0.4
242.13268	0.6
252.85509	0.3
327.12323	1.9
327.16336	0.4
347.22562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.9
59.01654	1.7
83.66296	1.5
92.10155	1.4
131.05496	1.1
140.71324	1.3
164.39484	1.2
235.28046	1.3
263.20209	100.0
310.45099	1.4
313.24042	1.2
339.35501	1.3
345.20447	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	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87818	0.8
56.03554	0.8
57.03486	0.8
59.01390	1.9
71.01402	1.8
80.02712	3.8
81.03480	3.4
83.05029	10.3
84.02197	2.0
88.06223	0.7
95.05029	3.1
97.06593	1.5
99.84925	0.9
122.03712	0.9
125.02139	0.7
125.06085	1.0
125.09773	1.0
127.07609	1.1
128.34874	0.8
129.09268	1.4
135.08170	2.0
135.09177	0.9
141.09274	1.6
161.06062	1.0
163.07600	0.8
163.11290	12.5
165.12839	5.8
181.12369	1.6
185.11839	6.8
189.05656	3.9
191.10779	1.7
197.11887	7.9
209.11859	100.0
219.06711	3.8
240.00964	1.1
248.10545	1.7
270.15991	0.9
315.15646	1.2
317.17603	1.7
333.67770	0.9
345.17160	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	345.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89535	0.7
53.01417	0.8
53.94141	0.8
54.04549	0.9
55.67853	1.0
59.01377	4.4
66.38083	1.0
71.01389	1.6
75.06971	0.9
76.02393	1.0
79.51309	1.1
80.02676	1.4
81.03445	4.1
82.18797	1.0
83.05019	10.3
84.02159	5.7
97.06554	0.9
99.08132	1.9
108.85497	1.0
125.09716	1.1
129.09210	2.2
135.08138	1.8
141.09190	1.5
163.03984	1.3
163.11302	12.2
165.12819	6.2
185.11830	10.2
189.05521	2.3
191.10777	2.4
197.11844	7.2
209.11856	100.0
211.13509	1.3
215.10799	1.0
248.10538	4.0
255.34799	1.0
291.19485	1.4
317.17822	1.7
345.17163	8.1
345.22141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33023	1.6
58.66185	1.4
59.01384	29.9
71.01386	2.1
71.02213	1.8
80.91708	1.5
91.08922	1.7
92.10183	1.8
117.03526	2.5
117.86367	1.5
119.04984	2.8
121.02985	2.3
143.04996	7.1
145.02945	23.8
145.06607	3.7
146.03749	6.7
147.04494	9.1
147.08246	2.0
148.08946	2.8
151.27524	1.6
159.04546	3.9
161.06099	21.0
163.11263	3.3
165.12836	26.1
171.04512	8.9
173.06035	10.5
174.03223	12.9
187.03966	2.2
188.04747	2.4
189.05574	100.0
189.09154	2.8
191.14381	11.4
198.75185	1.7
202.06297	2.3
205.08781	1.7
217.08763	20.5
219.06630	61.3
219.17558	12.2
229.05118	4.2
245.15535	3.2
247.09764	10.1
248.10538	89.6
263.16544	80.7
264.16995	2.2
285.14835	3.3
291.19489	2.3
309.20850	19.0
319.93817	1.7
330.11032	2.4
345.13376	6.6
345.16971	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	345.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23696	1.1
59.01381	2.7
71.01378	22.9
87.51400	1.1
92.10741	2.5
97.06574	3.0
100.00688	1.2
117.03472	1.7
145.02957	28.2
147.04506	18.5
175.03955	1.4
175.07599	1.7
176.04762	1.8
189.05576	9.8
215.12337	1.4
219.06601	7.1
231.33504	1.7
246.34048	1.4
248.10561	100.0
249.10847	1.5
256.17413	1.3
285.31216	1.4
309.20618	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	345.171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19983	0.9
59.01395	1.6
61.98840	1.0
64.44302	0.6
71.01382	16.2
71.01736	1.1
79.14777	0.8
97.06589	4.2
100.08823	0.9
109.22494	0.8
117.03462	1.5
121.02961	1.2
126.52369	0.8
127.40302	0.7
145.02963	32.9
146.03752	3.2
147.04532	18.8
161.06088	0.9
175.04025	1.7
175.07672	4.5
189.05579	10.4
211.13496	1.4
219.06622	4.3
247.09785	1.8
248.10541	100.0
249.11063	1.7
291.19806	3.1
307.02664	0.8
309.20718	10.3
351.53809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37058	0.1
50.87094	0.1
57.25518	0.1
59.01386	0.4
63.33134	0.2
64.13310	0.1
93.03455	0.4
96.85851	0.2
101.29436	0.2
103.42747	0.2
103.56915	0.1
108.02184	0.8
109.02934	0.2
111.04509	1.2
119.05013	0.2
120.71487	0.2
121.02960	1.6
122.03732	19.7
124.01642	1.3
134.03703	0.3
135.04510	0.2
137.02452	2.4
137.06032	1.7
146.03729	0.2
147.04538	0.3
148.05350	0.3
149.06073	2.0
154.02724	2.4
161.06174	0.2
166.06375	0.7
167.07135	100.0
168.07462	0.8
179.07149	0.3
182.85333	0.2
276.60229	0.2
285.11200	0.2
345.13422	0.4
345.17081	0.2
345.22906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1348
Annotation	Gibberellin A6
Peak:m/z	Relative Intensity
59.01385	36.7
71.01386	1.3
87.00924	1.0
92.10794	0.8
93.03511	0.8
97.06548	1.0
98.03703	0.7
107.05024	1.1
121.02959	7.7
121.06630	1.4
122.03764	0.8
133.02934	1.0
134.03743	2.0
135.04536	4.7
137.02516	0.9
146.03764	3.0
147.04535	0.9
148.05281	3.0
149.06084	38.9
161.06090	3.5
162.03210	1.0
164.04691	1.0
175.07672	1.1
177.05598	7.3
179.07097	3.5
180.04240	1.0
191.07123	4.0
192.07930	4.8
211.13365	1.3
225.12929	1.2
227.10815	1.5
242.13087	13.8
257.15512	3.6
285.11365	4.4
301.14355	8.0
312.10129	3.3
316.09576	1.8
327.12415	100.0
328.12924	1.2
345.13345	5.5
345.17035	3.4
345.63843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94759	1.1
53.97622	1.2
57.45502	1.3
59.01381	40.6
60.69569	1.3
89.74542	1.5
92.10183	1.9
109.03022	2.2
114.52769	1.4
121.02927	9.9
121.06600	2.1
122.03727	8.0
123.04520	8.9
125.71227	1.5
134.03748	2.3
135.04543	3.1
136.05289	2.1
137.06073	2.4
137.09720	7.7
148.05273	1.5
149.06084	74.8
163.07707	3.2
165.09221	26.6
191.07230	2.2
227.39551	1.7
271.09894	2.9
273.11362	8.7
285.11368	2.4
297.11349	14.5
301.14407	2.7
333.88513	1.6
345.13483	100.0
345.16977	6.2
345.22452	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	345.1345
Annotation	Isotaxiresinol
Peak:m/z	Relative Intensity
52.30759	0.3
54.22078	0.2
58.17526	0.2
58.23177	0.3
61.98016	0.3
65.58887	0.3
76.58125	0.3
93.03435	2.1
107.05045	3.3
109.06588	0.4
117.70364	0.3
119.04324	0.3
119.05022	4.7
121.02953	2.4
121.06552	0.3
122.03721	0.6
123.04517	0.5
133.02991	1.0
134.03728	2.0
135.04521	59.2
136.05075	0.3
139.07603	0.4
139.67426	0.4
147.04517	3.6
148.05319	1.4
149.06094	5.8
151.03996	1.4
161.06078	7.4
163.03966	0.8
164.04822	0.4
166.06360	3.0
167.07092	1.7
179.07097	1.5
180.07925	45.4
181.08615	1.7
182.05807	1.4
190.06387	0.5
190.88603	0.3
192.07913	5.1
193.08702	9.4
194.05812	2.5
195.06538	0.4
208.07372	0.7
209.08177	0.7
212.06859	1.9
214.54872	0.3
223.16924	0.3
226.06331	0.5
231.20120	0.3
239.07103	1.6
251.06995	0.6
252.07916	0.4
253.08696	1.8
267.10226	4.3
270.09006	0.4
284.10516	3.3
285.11414	1.4
285.27124	0.4
297.07642	0.3
297.11316	2.1
299.12787	3.2
302.08023	0.8
315.12415	66.1
316.12732	0.6
327.12421	27.6
343.11945	0.6
345.13461	100.0
346.13724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1347
Annotation	Isotaxiresinol
Peak:m/z	Relative Intensity
50.07422	0.7
59.25259	0.9
92.10162	1.8
108.02200	2.1
119.07016	1.0
121.02934	14.8
122.03738	1.0
123.04508	1.5
124.07709	1.2
132.04544	5.6
133.05330	4.2
133.36090	1.1
135.04517	9.1
145.02931	5.6
146.03763	1.4
147.04501	1.6
148.05302	1.0
149.06064	4.1
159.04510	1.3
165.04280	2.0
167.07138	8.2
179.07120	2.0
181.08832	3.2
199.07530	1.7
209.03271	1.6
209.06033	4.4
209.08025	1.9
210.06972	1.1
211.07637	4.3
212.04796	3.5
213.05493	1.4
215.11929	1.5
223.07674	1.1
225.09148	3.9
227.07176	7.0
237.05611	2.4
238.06360	1.3
239.07173	2.1
240.04277	6.0
241.05043	5.5
241.08757	1.2
251.07118	4.7
253.05031	2.0
253.08636	1.7
255.06625	28.4
256.07358	1.8
256.11032	12.2
257.12970	2.2
265.08774	2.2
267.06635	7.4
267.10318	1.6
269.08215	14.9
269.34821	1.0
270.08871	1.4
281.08182	1.8
282.09036	1.9
283.09769	13.0
284.10495	10.6
295.09769	7.3
296.10626	13.6
297.11285	2.4
299.09256	11.5
300.10043	91.1
310.08505	5.3
311.09314	21.4
312.10049	38.8
315.12430	100.0
316.12952	1.3
327.12436	57.7
332.45645	1.0
336.98727	1.0
345.10327	8.3
345.14478	1.4
345.63223	1.1
353.12949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1347
Annotation	Hallactone A
Peak:m/z	Relative Intensity
54.82905	0.2
60.04132	0.2
64.44151	0.2
65.19109	0.2
71.01383	0.3
72.64466	0.2
73.75732	0.2
79.15603	0.2
81.46653	0.2
93.03449	8.0
96.94720	0.2
103.99043	0.2
107.71686	0.2
110.54488	0.2
111.67184	0.2
111.68082	0.2
121.02956	100.0
122.03799	3.8
123.00915	0.4
124.01672	0.2
135.04523	1.9
136.05287	2.6
137.02463	0.4
145.02968	0.4
149.06079	2.2
154.02711	0.4
154.21811	0.2
161.06033	0.3
168.04253	1.9
173.06091	0.2
180.72325	0.3
189.05554	2.3
193.05104	1.2
200.08424	0.3
217.08717	0.4
219.06647	1.1
221.15649	0.3
226.04839	3.7
240.06485	1.1
247.09819	0.2
248.10533	2.7
269.11865	0.9
286.12134	8.3
298.08505	1.5
301.14462	3.1
313.10779	1.6
345.13470	35.8
345.16599	1.4
346.14264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.3
66.17871	1.4
92.10126	3.0
108.02155	1.7
117.11751	1.4
121.03027	1.5
122.03740	3.4
123.04575	1.4
124.37843	1.4
134.03745	1.7
135.04521	3.4
149.02391	1.5
149.06081	1.9
150.03238	2.2
159.04424	1.5
161.06125	1.9
163.07605	2.3
167.78465	1.6
176.04799	2.4
189.05653	1.9
191.07120	20.9
195.33101	1.6
196.03848	2.6
207.06624	14.4
208.07413	9.3
211.13348	1.5
225.91707	1.7
240.06421	35.5
273.11377	5.7
299.06534	1.7
299.13251	1.6
327.12204	2.6
345.13492	100.0
345.17157	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08914	1.6
57.03459	2.4
58.00591	1.9
59.01385	93.0
61.98844	9.2
71.01385	48.0
72.99358	1.7
73.02954	3.9
78.95920	37.2
83.01397	2.0
85.02977	13.9
87.00890	2.5
89.02451	56.0
90.72863	1.5
95.01409	3.3
96.96006	2.0
96.96992	12.2
101.02441	24.0
107.05056	2.4
111.00873	2.4
113.02457	15.7
117.01975	3.1
119.03557	24.7
119.05024	100.0
123.04523	7.6
134.03760	8.5
134.04733	7.3
135.04518	31.0
137.06094	2.6
139.04037	3.1
146.03731	15.4
147.03360	2.8
147.04529	72.7
147.05635	3.5
161.04555	3.8
165.04379	2.1
165.05600	20.2
179.05618	3.9
183.03036	2.6
269.76743	1.8
309.12225	6.0
327.10992	4.0
346.05698	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	345.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	71.9
60.07751	11.2
63.11482	11.5
69.86456	13.3
71.01406	13.4
78.95908	22.6
88.45142	13.3
101.02477	15.2
113.07843	11.2
121.02980	19.6
123.00854	22.3
125.02466	68.7
137.02460	22.4
137.06090	23.1
144.77315	14.4
165.01964	57.8
165.16975	14.4
183.03009	100.0
186.85782	14.7
290.97058	20.8
319.21667	14.7
345.08228	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	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31706	0.6
55.01905	0.8
55.30489	0.7
57.03469	4.8
59.01385	100.0
62.11051	0.8
68.01424	2.2
71.01397	3.4
78.95914	7.5
81.03471	0.9
82.02972	1.0
83.01387	1.0
85.03001	1.3
89.02452	0.9
89.80040	0.9
93.03467	5.2
95.01366	1.2
95.02506	1.6
95.05029	2.1
99.04544	3.5
101.02444	4.3
105.03493	0.8
111.02010	34.1
113.02471	1.2
119.03473	0.9
121.02985	3.4
123.00929	8.0
123.04524	95.7
124.01672	1.5
125.02474	1.5
125.11925	0.9
134.03792	1.2
134.04716	1.2
135.04544	5.0
136.01657	1.3
137.02472	11.2
139.00418	1.6
139.04048	3.7
151.05147	12.1
161.04526	4.5
163.06123	2.0
166.99919	1.8
182.02228	1.9
183.02887	1.5
205.77512	0.9
213.05200	43.7
265.43643	0.9
285.09872	1.2
307.10397	3.5
309.12070	1.8
345.09131	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	345.1095
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.31301	0.9
57.00652	0.8
57.58863	0.9
59.01387	2.3
60.01307	0.9
81.30736	0.8
88.19174	0.8
92.10207	1.1
93.03539	1.0
94.44056	1.0
95.03759	6.8
96.04506	1.4
96.08195	3.8
104.05076	6.0
106.06625	16.8
112.02203	0.8
112.04051	1.1
121.02940	2.0
122.06132	6.2
124.07685	19.4
132.04553	84.8
133.05344	54.2
134.06154	14.3
141.12723	0.9
148.04060	3.5
150.05632	2.3
159.16466	0.9
165.04318	45.5
171.90140	0.9
176.03548	1.3
177.04294	5.6
178.05048	4.3
182.33603	0.9
184.07690	4.9
186.09279	12.1
198.09354	2.0
209.03337	10.4
213.06683	10.5
214.12386	17.6
215.11928	18.4
226.07539	4.0
227.08301	1.5
229.09901	9.6
240.10257	1.9
241.09822	8.1
257.10278	1.8
257.12976	51.7
283.10989	13.8
301.11996	30.1
315.12253	1.3
327.09927	1.2
339.25558	0.9
345.10968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43327	0.7
54.33484	0.7
59.01378	11.0
63.68447	0.7
71.01379	4.5
84.78853	0.9
85.02922	1.1
89.02458	1.4
92.10159	1.5
95.03764	3.4
97.36053	0.9
101.02431	3.3
106.06615	9.4
113.02452	1.2
122.06096	3.8
124.07662	10.2
132.04550	50.1
133.05339	29.3
134.06122	7.8
138.05608	1.3
148.04082	1.7
150.05598	1.6
165.04315	37.5
170.63411	0.9
177.04286	2.0
178.05070	1.3
186.09279	8.5
197.11932	1.0
209.03278	7.9
213.06743	5.4
214.12428	11.1
215.11870	11.2
226.07565	2.0
228.09065	1.0
229.09828	5.7
232.98878	1.0
240.10303	1.6
241.09750	6.2
257.12988	22.6
267.06650	4.4
282.09076	1.2
283.10974	11.6
301.12003	19.0
327.09732	1.2
345.10938	100.0
346.11282	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	344.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41092	16.6
54.82543	21.7
55.29710	15.1
92.30945	19.0
93.90990	20.2
137.61206	19.4
207.59569	20.3
217.07208	33.1
234.47641	20.3
259.70203	21.3
301.16608	100.0
326.22150	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	345.0985
Annotation	5,4'-Dihydroxy-6,7,8-trimethoxyflavanone
Peak:m/z	Relative Intensity
50.51803	0.5
57.03462	1.1
59.01383	4.0
59.53983	0.5
65.00324	4.9
68.89008	0.6
68.99857	0.8
69.44185	0.6
76.41567	0.5
77.03968	0.8
79.01897	3.5
81.03464	1.0
83.01395	3.2
83.05028	0.8
93.03450	5.6
95.05024	3.3
97.34763	0.6
109.02960	3.9
110.18288	0.7
113.06101	9.1
115.04032	2.9
117.03434	1.3
119.05020	58.0
121.02965	5.8
122.03767	0.6
123.04505	0.7
125.02396	1.3
133.02939	2.6
135.04532	2.6
136.01654	4.6
137.02454	3.7
138.29895	0.6
139.04013	7.0
143.05054	3.9
145.02969	8.3
146.47478	0.6
150.03264	0.8
150.88622	0.8
151.00366	1.0
151.04030	6.8
157.05061	2.7
161.06082	4.4
163.00345	1.3
163.03990	1.2
165.01935	5.1
165.05489	0.8
173.06088	0.7
177.01936	13.7
177.27719	0.7
179.03499	1.2
181.05054	6.8
183.03043	3.0
185.06105	4.5
187.04025	4.8
189.01956	7.6
191.03477	3.0
191.07147	0.8
193.05154	0.8
203.03603	0.8
203.07092	3.3
207.02959	2.9
225.04050	17.6
241.08693	1.4
251.31819	0.7
282.08963	3.3
297.07703	6.2
297.11111	1.9
301.10745	0.8
309.07666	2.9
309.11407	1.2
315.12329	0.9
327.08737	2.6
345.09824	100.0
345.13269	5.5
346.10010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03462	0.6
59.01384	5.0
61.98835	14.1
69.03468	1.7
73.45221	0.6
80.91638	0.7
83.05040	1.5
92.10191	1.0
97.06566	1.1
99.08148	12.3
108.02161	1.5
121.10242	1.4
125.09734	1.7
127.11333	0.8
134.03751	0.8
136.01657	23.5
137.09698	1.6
149.06093	1.8
151.04021	16.2
164.17480	0.8
171.10255	19.5
175.07675	1.3
176.08435	24.5
191.10750	4.2
193.12355	22.8
211.13365	3.8
219.10336	1.4
225.14969	27.9
243.15953	8.9
277.72629	0.7
293.21011	1.2
295.09793	1.6
302.10052	0.8
310.12070	2.9
313.10895	4.7
318.34976	0.7
325.14444	14.8
328.13293	6.1
343.11606	1.4
343.15717	14.2
343.24936	100.0
345.11414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82578	1.4
57.03440	1.9
59.01386	10.8
61.98835	2.6
69.03451	5.7
73.02945	3.0
76.57365	1.0
83.05042	2.2
84.00992	1.1
95.05035	1.9
97.02969	1.9
97.06591	5.2
99.08138	14.2
99.46620	1.3
104.75468	1.2
109.48141	1.3
113.09702	1.5
115.07642	13.1
119.05032	2.3
121.06508	1.4
125.09753	2.5
127.07576	2.3
129.09207	13.8
136.01755	1.2
137.09698	1.8
141.09210	11.6
143.10754	1.7
146.03778	12.1
149.06090	7.9
151.11330	15.5
171.10286	32.0
175.07664	24.3
176.08386	1.7
185.11829	2.6
191.00049	1.3
193.12340	25.0
199.13278	1.9
201.02481	2.0
201.11368	2.1
207.10324	1.6
209.11830	2.7
211.13425	5.4
215.12885	2.9
220.74498	1.1
225.14999	32.5
227.12943	5.2
229.14432	1.9
233.15445	9.2
243.15964	14.0
279.19601	1.4
289.18121	18.9
297.20810	2.1
307.19202	7.1
309.79321	1.4
311.12869	8.1
311.77948	1.2
325.20334	7.1
343.24939	100.0
344.25284	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	343.2128
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
51.52934	0.7
53.73575	0.7
57.03453	3.3
59.01392	4.6
61.09931	0.7
69.03457	1.0
71.01384	3.0
75.15339	0.7
78.86234	0.7
83.05025	1.8
84.02150	0.8
84.28440	0.7
85.02962	4.7
95.05036	1.3
96.96014	3.6
97.06590	4.3
102.59657	0.7
111.08171	1.1
120.10851	0.8
123.08127	1.5
129.18655	1.0
137.09685	1.1
141.09235	3.3
147.04607	0.9
151.11302	1.6
157.67192	0.9
171.10243	3.7
179.10880	0.8
181.12378	7.3
183.13908	1.3
187.09769	3.9
201.11089	0.8
209.11797	1.9
211.13371	4.1
227.13011	3.2
229.14377	2.0
299.05777	1.1
325.20245	3.5
343.21310	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	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.82393	1.0
57.03454	2.5
57.34977	0.9
59.01381	3.2
71.05015	2.1
73.02962	1.4
73.73111	1.2
80.02637	1.8
81.03470	9.2
83.05026	73.7
84.02175	3.2
92.65207	1.3
95.05026	3.1
97.06536	1.7
101.85950	1.2
108.19651	1.4
113.61936	1.2
121.03024	1.2
123.08224	1.2
127.07676	1.9
129.09213	23.5
137.02333	1.2
137.09724	2.5
141.09229	8.5
149.09720	7.2
151.11293	2.0
153.41812	1.3
155.10742	11.1
175.07668	1.5
179.10793	15.3
199.84009	1.3
201.11382	5.1
205.04118	2.4
213.11327	11.4
225.11334	19.0
225.81664	1.4
232.15886	1.3
237.03670	2.7
238.03755	4.9
243.12402	22.7
307.19241	2.2
323.85901	1.5
325.20401	2.9
343.11093	15.6
343.21326	100.0
344.21490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83078	0.5
59.01383	4.8
61.99365	0.4
63.90099	0.4
68.64979	0.4
69.03458	0.9
71.05044	0.7
76.45507	0.4
81.03451	0.9
83.05035	2.9
93.03470	0.7
97.06600	0.8
99.08144	12.2
109.02945	0.9
109.06596	2.8
111.04591	0.5
121.10225	0.8
123.00936	0.7
124.01659	0.8
125.09717	1.9
127.11250	0.6
136.01617	0.7
137.09720	1.0
139.11296	0.6
149.06088	0.8
149.09778	0.5
149.13348	0.9
151.04091	0.6
151.11270	0.8
163.11313	0.9
165.05617	1.0
165.12834	2.4
167.10818	0.6
171.10272	11.9
175.11292	1.0
185.11847	0.6
188.89622	0.4
193.12340	25.3
193.14128	0.9
197.15546	0.9
201.02588	0.8
205.16058	1.7
209.11870	3.8
211.13397	4.4
225.14990	27.8
243.16000	8.2
261.18610	1.9
289.18130	19.7
293.21143	0.7
307.19180	10.2
325.24020	0.8
343.15930	8.0
343.24930	100.0
344.25220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03461	1.3
57.45670	0.9
59.01382	9.7
60.14304	0.9
61.98833	1.9
71.01369	1.5
71.05013	1.5
73.02958	1.6
80.02670	3.7
81.03440	2.4
83.05042	7.3
84.02180	2.1
95.05016	1.3
97.06590	2.1
99.08197	1.1
109.02976	1.5
109.06573	1.8
110.03752	1.3
115.07640	12.6
121.02951	1.9
123.00902	1.5
125.09735	5.2
127.07637	1.6
129.09224	4.8
133.25745	0.9
135.08163	1.7
136.01659	2.4
137.09695	2.2
141.09221	5.1
142.02737	1.4
143.10757	1.4
151.11226	1.3
155.10791	7.2
163.11235	11.9
165.05547	2.3
165.12881	5.1
171.10248	8.7
178.09959	9.7
181.12364	2.2
183.10245	1.2
191.10860	1.8
197.11833	1.6
199.09763	2.5
201.02608	2.6
207.10231	7.4
209.11856	100.0
210.17082	1.1
211.13033	1.4
225.11424	1.7
236.10503	1.8
279.19601	1.3
289.17981	7.4
307.19150	20.3
325.20154	1.9
327.82117	1.1
343.15378	5.3
343.25034	1.6
353.66565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34507	1.1
55.35006	1.2
56.25410	1.0
57.03460	5.6
58.00605	2.5
59.01382	14.9
67.82980	1.1
69.03475	2.8
71.01405	5.9
73.02926	9.9
83.05055	1.7
85.59839	1.3
89.07014	1.4
95.04999	3.0
97.06571	12.8
99.08168	6.1
111.08163	1.8
113.09746	8.5
115.07642	32.9
125.09707	6.3
127.07621	8.0
127.11325	3.1
129.09215	47.3
139.11256	1.6
141.09216	34.0
143.10753	10.7
149.06029	2.2
151.11285	41.8
153.12856	1.6
155.10788	2.7
163.11293	3.1
167.10759	2.3
169.12289	2.4
171.10271	100.0
185.11833	9.0
193.12369	2.3
195.10268	2.2
197.11862	1.8
199.13449	5.9
201.02629	2.0
201.11308	3.2
207.10278	1.6
209.11818	10.7
213.11330	7.9
215.12900	2.8
225.11359	2.5
225.14928	4.0
227.12904	21.9
229.14413	9.2
263.20209	2.2
289.18057	5.9
297.20755	2.6
307.19226	7.9
325.20090	9.7
343.21289	2.3
343.24954	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12410	1.0
56.56507	0.9
58.00616	1.1
59.01384	1.8
61.98837	1.3
65.24826	1.0
66.74138	1.1
67.62093	1.1
71.01379	2.2
71.05047	1.3
73.02960	2.6
80.02695	6.0
81.03477	5.9
83.01398	1.6
83.05022	11.8
84.02190	5.8
86.98443	1.2
91.51495	1.1
92.10186	1.2
95.05058	2.5
97.06569	1.1
109.06599	1.3
115.07670	1.6
125.87604	1.3
136.01614	3.7
151.03996	2.1
163.11337	13.0
165.12860	7.7
169.89441	1.2
174.06874	10.0
175.07649	6.1
177.05516	2.7
181.12378	1.3
185.11835	2.6
191.07158	1.6
191.10832	2.3
195.10179	1.4
197.11874	1.8
203.82608	1.2
209.11873	100.0
210.12111	1.3
218.91814	1.4
225.11403	2.2
243.12384	11.5
249.11687	1.4
269.08820	1.4
282.09045	1.3
287.93991	1.2
325.20093	2.6
328.13245	5.2
343.11884	2.3
343.15543	12.5
343.21158	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.8
58.00588	2.0
59.01385	13.3
60.79676	1.5
69.03458	2.3
70.84393	1.6
71.01396	6.7
73.02954	13.5
74.59811	1.9
81.03445	2.0
95.05054	3.0
97.06584	13.6
99.08207	2.9
113.09739	7.5
115.07645	36.2
115.77337	1.7
127.07673	3.2
127.11301	7.1
129.09209	57.3
141.09239	37.2
143.10756	9.7
151.11308	47.1
153.12793	2.3
155.10754	2.0
167.10779	2.2
169.12312	3.4
171.10271	100.0
181.12276	2.2
185.11858	2.6
189.09035	2.1
195.10226	2.6
197.11862	2.6
199.13437	8.0
209.11847	3.2
209.24141	1.8
211.13461	4.1
213.11342	7.4
215.12900	3.4
225.11372	1.9
227.12926	27.8
229.14503	12.5
263.20239	2.2
297.20508	3.1
307.19162	9.3
325.20340	4.4
343.15500	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	343.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10845	1.0
57.03465	5.0
58.00597	2.7
59.01378	13.4
60.58249	1.1
69.03470	7.2
71.01398	5.6
73.02937	11.3
83.05064	1.5
83.77589	1.1
84.02153	1.4
92.10826	2.0
92.74692	1.3
95.05040	2.8
95.67716	1.0
96.43595	1.1
97.06598	9.5
99.08148	11.4
111.08156	1.3
113.09743	7.3
115.07651	30.2
117.07089	1.3
119.05033	2.0
121.02966	1.9
121.06596	1.4
125.09729	5.9
127.07623	10.0
127.11301	3.0
129.09213	48.0
141.09224	34.8
143.10739	9.6
146.03769	2.1
149.09697	1.3
151.11302	43.6
151.98273	1.2
153.09294	1.2
153.12880	2.9
155.10805	2.1
163.11349	1.9
169.12308	2.1
171.10271	100.0
173.08217	1.5
175.07620	2.3
177.09123	1.2
183.13954	1.2
185.11826	6.9
187.09795	1.4
189.09081	1.5
190.99831	1.2
193.12285	9.1
195.10239	5.2
197.11861	1.5
199.13380	7.2
201.02541	1.8
201.11385	1.7
207.10291	2.1
209.11848	7.9
211.13333	1.9
213.11334	8.6
215.12839	8.3
225.11447	1.5
225.14961	14.5
227.12892	21.8
229.14413	9.1
233.15463	2.8
243.15976	2.4
263.20242	2.6
277.56317	1.3
279.19595	1.9
284.83582	1.5
289.18002	10.8
297.20792	6.1
307.19278	12.7
317.11880	1.3
325.20157	9.1
343.15530	2.2
343.20914	2.1
343.24960	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18041	8.5
54.82830	9.2
59.01391	66.0
77.51885	9.2
112.80070	9.7
118.04631	10.1
125.09717	11.9
163.11298	11.3
165.79393	9.9
185.11784	12.7
201.21873	10.1
217.05147	21.9
245.19077	12.3
245.79382	10.7
246.09029	22.0
271.22845	51.0
289.18167	100.0
305.17545	17.4
307.19174	24.4
313.08939	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	343.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77742	0.4
59.01394	2.2
103.08414	0.5
110.05381	0.4
121.03065	0.5
123.70779	0.5
137.02412	0.7
138.03206	0.9
163.19873	0.4
189.74776	0.5
225.22256	4.8
230.31639	0.5
251.06024	2.3
253.21733	0.7
269.21182	1.0
271.22809	100.0
272.23257	0.6
307.19147	0.7
343.15448	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	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03447	6.2
58.00588	0.8
59.01379	3.3
68.16463	0.6
68.29620	0.6
69.03466	1.0
71.05018	3.7
73.02947	4.6
81.03466	1.3
83.05023	6.6
92.10131	1.5
95.05035	0.8
95.15148	0.8
97.06628	1.3
98.03760	1.3
99.08176	4.0
104.33630	0.8
109.06609	1.2
111.08150	5.1
113.09718	1.2
115.07658	1.6
121.02962	1.4
127.07682	5.2
127.11288	4.7
129.09218	46.8
137.09724	3.4
141.09209	18.3
149.04834	0.7
149.09755	1.1
155.10773	22.3
167.10762	3.9
171.10271	3.3
179.10721	1.2
187.09785	4.0
197.11938	0.7
201.11356	8.6
213.11336	12.7
225.11290	1.0
251.09944	0.8
279.19656	1.6
307.19138	3.5
325.20239	17.9
337.32562	0.8
343.12030	3.5
343.21289	100.0
344.21671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44129	2.6
58.00609	12.6
59.01387	28.5
66.77216	2.7
71.05050	3.6
72.53144	2.5
73.02963	16.1
74.88806	2.6
81.03443	4.3
83.05054	13.7
84.02189	5.3
84.36858	2.6
85.46810	2.6
95.14864	2.5
97.06605	5.5
109.02969	3.1
115.07671	6.2
135.04466	4.3
141.12880	18.8
143.40536	2.9
163.11227	20.2
165.12849	4.5
169.12337	45.9
185.11795	5.2
197.11847	13.8
199.13445	43.9
201.02480	3.9
209.11864	95.3
211.13507	4.6
213.11511	3.8
243.12390	46.3
245.13947	100.0
295.09915	5.8
310.12054	10.4
325.14508	12.1
325.20258	29.4
328.13202	4.2
343.11996	5.5
343.15591	6.5
343.21365	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79259	0.5
59.01379	0.6
59.11811	0.4
93.03467	0.7
108.02190	3.3
109.02955	7.4
111.00934	0.6
121.02944	1.1
121.10227	2.4
123.00838	0.6
123.04572	0.6
131.08742	0.6
133.06573	2.2
134.03749	5.1
135.04457	0.6
136.01656	100.0
137.02448	23.3
137.09711	0.6
146.03729	0.6
147.08150	0.9
148.05327	2.7
149.06079	3.7
151.04007	88.0
152.04776	0.9
160.05316	5.3
161.06169	0.9
163.07614	1.0
164.04703	0.7
165.05589	1.3
171.10260	12.2
173.06105	0.8
175.07635	19.8
176.08405	4.5
176.34038	0.6
186.06932	0.6
187.07645	0.7
191.10744	0.8
223.62556	0.6
267.10190	0.7
280.07443	2.7
295.09799	5.9
297.11200	2.2
307.19049	0.6
310.12238	5.2
325.14438	5.2
328.13235	2.7
343.15546	40.6
343.24829	17.0
344.15649	0.6
350.91031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	16.9
61.98840	2.8
72.99318	2.9
75.29191	2.3
81.79263	2.3
92.10747	3.1
96.03679	3.1
104.15657	2.6
121.03002	2.8
136.01692	3.1
137.02467	55.6
151.04047	4.7
152.04800	25.0
161.11577	2.5
164.04828	3.3
167.07124	4.4
175.07672	5.7
184.03813	14.3
190.06252	3.9
191.07176	12.1
192.07872	4.2
201.02550	3.8
222.81116	3.0
224.06926	6.1
231.99927	2.5
283.19086	3.2
343.15610	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	343.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68988	1.0
54.82907	0.9
59.01395	3.9
67.21858	1.0
92.10114	1.9
108.02202	1.7
111.63401	0.9
121.02980	4.3
122.03750	5.2
133.06572	1.7
135.04514	2.1
136.05301	2.1
136.64243	1.0
145.02950	3.9
147.04529	1.1
148.05391	1.1
149.05003	1.0
149.06030	8.5
161.06067	24.4
162.06871	100.0
163.07623	2.3
164.04781	9.4
171.10226	1.3
173.06085	7.0
174.06851	31.4
175.07651	17.5
176.04774	23.8
177.05602	13.8
189.09161	2.2
191.07196	5.4
192.07951	1.9
194.05862	11.3
205.08714	1.1
208.07486	4.8
225.76483	1.0
254.05891	4.6
280.95905	1.1
282.08987	1.3
294.08911	1.3
295.09760	16.7
296.71179	1.0
298.12216	5.1
309.11508	1.6
310.12128	14.4
313.14474	28.5
325.14481	19.4
328.13242	2.2
343.15558	78.9
344.15717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.5
61.98813	0.3
67.72701	0.3
69.03453	4.9
71.01400	0.6
73.02966	0.4
76.57943	0.3
88.96704	0.4
96.87392	0.3
96.96024	0.4
97.02931	2.8
102.04759	0.8
108.02183	0.5
109.02970	0.7
115.07639	0.6
119.05000	0.6
121.02925	0.7
121.10213	1.1
122.03764	2.2
123.00866	0.4
124.01666	0.8
129.09200	2.1
131.08669	2.0
134.03674	0.4
141.09213	2.3
145.02946	1.8
146.03740	50.0
147.04515	1.8
147.08171	2.7
149.06097	0.8
151.11322	2.2
155.10782	0.4
157.06572	1.7
160.05284	0.5
162.03210	0.5
163.03958	0.5
164.04787	0.4
165.05600	2.3
171.10266	9.3
173.06000	2.4
174.06897	6.2
175.07635	100.0
177.09181	0.6
191.07077	0.6
201.02557	0.7
209.11763	1.2
227.12875	0.4
281.08249	0.5
293.21216	0.5
296.10620	0.6
307.19254	0.4
311.12918	31.3
312.13300	0.4
313.14444	2.2
325.20157	0.6
328.13269	1.5
343.15518	5.7
343.20865	0.5
343.24878	9.2
359.17822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
59.01392	1.8
121.02952	5.0
130.97772	0.8
147.04520	0.8
150.03198	1.1
158.03714	0.9
159.04533	4.6
162.06873	1.7
163.03995	3.4
163.07626	12.0
165.12811	0.9
173.06067	10.1
174.06859	100.0
175.07643	60.5
175.09200	0.9
175.09952	0.9
177.05571	37.1
189.09186	6.6
191.07137	20.5
192.07906	4.7
206.05751	0.8
207.06686	1.2
209.11836	14.8
221.74837	0.8
224.06963	10.5
282.08994	4.7
297.11203	5.3
313.14441	4.5
328.13254	12.4
343.15552	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37034	0.8
59.01387	2.8
68.01669	1.0
92.66045	1.2
109.02945	1.1
111.24902	1.1
121.02950	13.8
122.03724	2.0
123.00870	1.6
123.04488	1.4
136.01640	2.2
137.02402	1.4
147.04575	1.5
151.04028	9.8
152.01114	1.9
153.01978	1.5
156.05806	1.3
158.03749	4.2
162.03241	5.7
163.04002	2.2
173.06073	34.5
174.06857	10.3
175.07558	1.6
177.05634	1.9
179.03510	11.0
180.04271	5.3
190.06378	1.6
191.03479	5.4
191.07216	10.2
192.07927	10.7
200.80475	1.2
201.02634	1.9
205.05023	8.8
206.05899	8.8
207.06628	1.6
209.11824	5.9
211.13316	1.6
224.06920	22.2
243.12340	1.4
244.68564	1.1
280.07495	2.4
285.11407	1.5
292.45123	1.2
295.09781	5.5
313.10873	2.6
327.12271	1.3
328.13177	12.0
343.15540	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	343.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	15.1
60.15796	1.6
61.98834	26.9
99.04534	2.0
121.02971	4.1
122.03749	6.9
123.04536	2.3
133.34515	1.9
135.04539	11.3
135.08156	2.4
150.03149	2.3
161.06070	13.3
162.06862	3.5
163.03998	2.1
163.07658	15.3
171.10283	4.6
173.06013	1.9
174.06763	3.8
175.07602	3.8
176.04773	4.6
177.05585	4.0
178.06371	19.4
188.32884	1.9
190.06360	8.2
191.07141	22.1
205.05031	7.7
206.05783	3.8
207.06447	2.6
211.13379	2.1
233.11644	3.0
238.04796	15.2
282.09088	2.0
299.12903	100.0
313.10995	14.6
325.10901	11.3
343.11905	88.4
343.15390	5.7
343.20886	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	343.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15260	0.5
54.59795	0.4
56.54541	0.4
59.01385	9.4
69.03454	6.9
73.02970	0.5
96.96037	1.1
97.02936	1.9
97.06619	0.6
102.04783	0.6
105.82357	0.5
110.23321	0.5
111.00869	0.5
112.72801	0.5
114.02194	0.5
115.07652	2.3
115.39140	0.5
119.05038	2.0
121.02959	1.0
121.10252	0.8
122.03735	0.9
124.01700	0.6
129.09196	3.6
130.67160	0.5
131.08658	2.2
137.09673	0.6
141.09241	3.2
145.02977	2.7
146.03752	50.8
147.04515	2.0
147.08142	3.5
151.11284	2.0
157.06586	1.1
163.04018	0.7
165.05583	0.7
171.10287	12.9
173.06061	3.1
174.06844	5.6
175.07649	100.0
185.11845	0.9
199.13345	0.8
201.02573	0.8
201.11256	2.1
207.10179	0.5
209.11917	1.2
254.92189	0.5
289.18134	2.1
293.21344	0.7
307.19229	0.9
311.12949	27.4
313.14508	2.3
325.20361	0.8
343.15656	3.9
343.21136	0.8
343.24881	11.3
361.47763	0.6
364.64462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.119
Annotation	2,5,7-Trihydroxy-6,8-dimethyl-3-(4'-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
55.28850	0.4
75.52782	0.6
85.37568	0.5
90.49857	0.6
92.10732	1.4
107.05035	1.3
108.02175	1.1
109.02965	0.8
119.05045	0.6
121.02963	1.4
122.03726	7.7
123.04504	3.6
129.09213	4.1
134.03740	4.2
135.04510	6.5
135.08148	2.4
137.02505	0.7
141.09270	0.7
146.68201	0.6
147.04559	0.8
148.05334	4.9
150.03229	3.6
155.10733	1.2
160.05295	1.5
161.06071	13.7
162.06871	4.5
163.07657	18.7
176.04774	4.9
177.05586	2.5
179.03503	2.9
189.05608	2.5
194.05859	3.4
205.05051	7.4
206.05858	2.8
238.04858	15.6
266.30585	0.6
266.49075	0.7
266.80856	0.7
299.12918	100.0
300.13321	0.9
325.10934	1.2
325.20193	3.2
343.11917	48.8
343.21158	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	343.0461
Annotation	Aflatoxin-M1-8,9-epoxide
Peak:m/z	Relative Intensity
51.56374	1.4
53.86354	1.4
59.01385	19.9
59.39040	1.4
63.02398	1.7
65.00312	2.5
73.88709	1.6
75.00887	1.7
78.43156	1.4
83.01379	2.9
107.01394	11.0
117.03445	23.4
121.02894	2.0
129.05566	2.8
145.02936	2.4
149.02443	17.4
151.00333	21.7
165.12895	2.1
181.06548	3.1
183.04370	2.5
201.05591	3.3
225.05568	7.0
253.05096	34.4
268.07349	2.5
269.04562	73.9
281.04700	2.0
283.09698	8.4
297.04044	100.0
299.05588	76.1
339.75922	1.8
343.04636	44.6
343.11560	1.7
343.21332	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1038
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
57.03458	1.0
58.00598	0.8
59.01386	27.0
71.01381	11.8
77.86040	0.9
85.02985	3.5
89.01953	1.0
89.02437	7.4
89.04406	0.8
93.03454	62.5
96.95995	2.8
101.02438	6.4
108.02198	1.5
113.02451	3.2
119.03445	3.4
121.02962	3.4
123.04512	1.6
125.02409	0.8
134.03755	3.7
135.04527	29.4
162.83847	1.0
163.04018	100.0
181.05061	1.0
211.75058	1.0
246.58223	1.1
269.86469	0.8
343.10376	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	343.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39592	0.6
59.01384	3.1
61.25471	0.6
65.20086	0.6
65.93722	0.6
75.29979	0.5
81.10236	0.6
83.01382	0.8
84.11717	0.6
93.03464	3.7
96.96020	1.6
107.05048	1.1
119.05014	4.2
121.02930	3.6
131.05013	1.3
133.06572	0.8
133.87395	0.8
134.03722	0.9
135.04536	4.2
143.05043	1.0
145.02962	0.8
145.06656	0.8
146.03760	14.5
147.04539	3.5
149.06036	0.8
151.00421	1.1
155.05049	0.9
158.03745	4.0
159.04529	6.2
160.04053	1.3
160.05307	24.5
161.06096	9.0
163.04015	3.5
171.04405	0.7
172.05324	6.8
173.06088	10.4
174.03215	4.1
177.05487	0.9
178.06328	2.5
178.10146	0.7
189.05574	3.1
190.06345	8.1
191.07159	12.2
192.04311	1.1
193.05054	1.4
201.02512	1.4
206.05711	0.7
207.06667	1.1
210.05310	0.7
247.07506	1.0
264.08109	1.3
270.30612	0.7
277.08731	2.6
283.06332	1.0
283.09955	0.7
295.06403	0.9
295.09769	28.6
298.08804	0.9
307.09808	8.2
313.10864	13.8
325.10919	14.7
343.11920	100.0
343.20773	7.1
344.12408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21624	0.8
59.01382	100.0
60.88124	0.8
62.71259	0.8
67.73451	0.8
71.01390	5.5
74.50095	0.9
76.57356	0.8
82.31910	0.7
84.82150	0.8
89.02458	1.0
97.06576	1.0
109.06615	5.0
154.43216	0.9
159.50166	0.9
163.11244	1.5
181.12396	0.9
189.09256	1.1
197.12088	1.0
207.10283	4.7
207.26933	0.9
312.41159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.5
59.43990	0.6
67.59624	0.6
69.03471	1.6
71.01402	0.8
79.07467	0.6
83.05035	1.5
84.02168	8.0
90.99231	0.6
91.14552	0.7
97.02981	1.5
97.06586	13.0
99.04552	1.2
106.50236	0.7
125.09729	2.7
137.09741	0.6
149.13339	0.7
165.12758	0.7
171.10274	22.3
175.11272	0.7
183.13947	1.4
185.11906	0.8
193.12349	18.5
205.82993	0.8
211.13443	3.5
225.14992	24.1
243.16089	9.2
253.14374	1.0
291.19800	0.9
302.92099	0.7
318.85590	0.7
341.23370	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35114	0.4
57.03436	0.6
58.47429	0.5
59.01389	2.8
61.52760	0.6
69.03458	3.3
83.05042	2.6
84.02178	0.7
89.15534	0.6
92.33797	0.5
93.03455	0.8
95.05003	1.2
97.03005	0.7
97.06588	16.3
99.04499	0.7
104.52396	0.7
121.10200	0.5
125.09689	2.3
137.09726	0.9
151.11298	0.6
171.10292	12.1
175.11246	0.7
189.05508	1.0
193.12335	23.4
197.15450	0.7
211.13397	3.3
221.11850	1.1
222.05415	0.9
222.90057	0.6
225.14990	29.0
243.16005	10.0
244.06950	0.5
250.45891	0.6
253.14561	0.6
291.19632	0.6
323.18619	0.9
341.23367	100.0
342.23700	1.2
345.46613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.27
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
59.01383	3.6
64.34262	1.4
76.91357	1.3
107.74012	1.4
116.92850	1.9
185.00790	3.6
279.23874	3.2
279.26953	99.0
280.27316	2.3
314.30524	1.6
323.25958	22.7
341.19980	10.8
341.26990	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	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.14999	0.1
92.28258	0.1
113.04606	0.2
115.02522	0.7
116.92841	0.3
117.00383	0.3
135.95872	0.1
152.89653	0.1
157.03564	5.7
159.01494	6.3
161.59709	0.1
178.95081	0.8
201.02577	72.7
202.02728	1.1
230.33279	0.2
301.22180	0.2
343.03693	1.8
352.64481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50435	1.6
53.07698	1.7
57.03454	4.4
58.00613	3.3
59.01384	15.9
63.93433	1.8
64.34398	1.7
69.03461	2.1
71.01380	13.6
72.02168	2.4
73.02952	16.5
84.02174	3.7
85.02934	13.8
95.05024	46.6
97.06580	7.6
99.00858	2.8
99.08143	7.1
100.01656	17.8
107.05044	4.4
109.06638	3.9
111.08131	7.1
113.06094	2.3
113.09725	16.3
115.07630	14.7
123.08195	2.0
125.06088	3.7
125.09751	3.8
127.07652	27.3
127.11272	4.3
139.07646	12.9
141.09203	7.0
149.09706	3.4
151.07686	4.7
151.11287	16.8
153.12770	2.5
155.10777	3.5
159.50426	1.8
163.11296	7.9
169.08716	13.1
169.12419	4.0
171.10284	100.0
185.11867	2.9
195.10283	2.3
197.11865	2.5
197.78983	1.9
199.13435	10.9
207.10309	15.9
209.11780	2.2
213.11459	2.7
215.12918	3.3
225.11333	21.1
227.12936	23.1
261.18723	3.0
279.19696	8.3
305.17688	4.7
323.18622	4.8
341.19794	2.8
341.23590	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	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	61.8
61.34388	4.3
71.01380	99.3
81.03456	19.5
82.12868	4.5
83.05038	8.7
86.43890	4.8
89.02435	7.3
92.10160	10.0
97.02941	32.2
97.06576	33.9
109.06594	76.9
110.03793	6.5
125.09687	5.3
128.07085	4.8
135.08174	24.6
142.02684	8.8
152.77116	4.8
163.11272	36.0
171.10237	5.6
181.12341	20.2
185.11882	5.5
201.70717	4.4
207.10292	100.0
225.11375	19.6
230.35306	5.8
281.21252	6.4
311.50967	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67250	4.0
59.01390	55.0
61.98838	5.5
71.01385	7.3
71.05038	4.8
81.44752	4.7
89.02490	5.5
97.06602	4.8
98.43527	5.0
101.02457	7.2
109.06589	5.5
121.02968	8.8
125.06068	9.3
143.07126	27.5
147.02985	4.8
153.12932	31.8
161.66309	5.2
193.12355	5.7
197.11845	19.5
207.10188	5.0
210.48471	4.8
211.13400	5.9
215.12918	89.5
230.69084	5.1
287.16501	10.6
291.19592	40.1
305.17606	28.5
309.20807	100.0
341.14038	16.1
341.19724	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53019	0.8
57.03461	3.7
58.00606	1.3
59.01374	7.4
61.74173	0.9
64.34648	1.1
67.01888	1.5
71.01378	9.8
71.05022	4.9
72.02149	1.1
72.99317	4.1
73.02945	1.2
81.03444	1.7
83.05026	19.6
84.02159	1.2
85.02936	1.9
95.05022	1.6
96.96004	4.2
97.06605	3.8
99.08140	4.5
100.48148	0.8
103.90195	1.0
109.06566	1.9
110.03751	1.0
111.04471	0.9
111.08160	6.0
113.02464	1.2
115.07604	1.5
121.03021	1.3
123.08157	1.1
125.09685	1.8
127.07648	10.9
127.11255	2.1
135.04507	1.0
135.08214	1.4
136.01680	1.0
137.09695	2.0
138.06866	1.1
139.07661	4.9
141.09209	4.0
143.07138	4.1
149.09781	1.6
153.09207	5.3
155.10797	17.5
163.11345	1.3
167.10780	4.2
178.09996	1.1
179.10724	5.9
181.12354	3.5
187.09753	8.3
195.10341	3.2
197.11845	1.6
199.09735	1.8
201.11366	5.5
209.11859	2.3
213.09552	1.4
213.11333	12.2
225.11293	13.6
231.09799	1.0
243.12373	1.5
249.18298	1.2
259.17108	1.7
261.18463	1.5
272.12744	4.0
277.18060	8.0
305.17654	2.3
323.18698	50.3
328.99454	1.0
341.19730	100.0
342.20102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
63.52541	1.5
71.01396	3.0
76.59702	1.6
78.30827	1.6
80.02666	6.4
81.03443	3.8
83.05029	7.8
84.02160	12.0
85.02946	2.7
90.02389	1.5
95.05025	2.3
97.02936	6.9
97.06580	10.7
107.05007	14.2
109.06557	3.2
110.03755	2.5
111.00871	6.9
111.08165	2.1
121.02934	3.9
121.06525	2.8
123.08150	2.9
125.02419	3.6
125.06093	7.5
125.09714	14.4
135.08154	8.5
137.09721	2.6
139.07637	1.9
142.02739	2.3
151.97215	1.7
153.09196	16.8
163.11256	13.6
165.12787	3.4
171.10271	15.5
176.08389	4.0
178.09877	2.3
179.26326	1.7
181.12416	2.3
185.11836	7.7
191.10860	2.7
197.11832	14.1
199.09698	3.6
201.11371	2.4
207.10283	13.2
209.11844	100.0
225.11288	7.8
236.10481	7.2
254.11690	14.9
261.18408	7.0
287.16385	7.7
305.17557	10.7
311.09213	2.2
326.11575	1.7
341.23434	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	341.1972
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
55.01900	0.9
57.03459	1.7
57.32581	0.6
59.01382	3.0
59.26299	0.6
60.74644	0.7
61.02610	0.6
65.66086	0.6
69.03464	0.9
71.01390	2.5
71.05022	3.0
72.02165	0.6
74.93707	0.7
80.02692	2.8
80.27560	0.6
81.03453	14.4
82.20667	0.6
83.05025	100.0
84.02168	6.3
93.03448	0.6
95.05013	5.3
97.06556	1.1
99.08182	2.7
108.12329	0.6
109.06644	0.7
111.08157	3.0
112.46960	0.7
123.08146	1.6
127.07656	6.0
137.09729	1.3
139.07669	1.7
143.07144	1.2
149.09746	9.1
151.11253	1.3
155.10802	7.6
161.09712	3.1
167.10803	1.2
178.09962	1.0
179.10782	24.2
181.12346	1.7
195.10289	3.6
199.09840	0.9
201.11363	3.4
209.11830	1.2
213.11317	7.1
225.11348	27.3
243.12411	29.9
261.18506	1.0
272.12643	1.6
273.55542	0.7
277.18201	3.4
305.17487	1.5
323.18649	23.3
341.19742	84.2
342.20148	1.1
351.72507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49546	1.5
55.38525	1.4
57.03449	2.0
58.00607	3.5
59.01377	13.6
61.20410	1.5
64.35030	1.6
69.03455	3.9
69.94740	1.6
71.01390	10.4
72.02174	4.0
73.02937	14.1
80.02646	1.8
82.16119	1.6
83.05001	2.3
84.02189	3.1
85.02954	10.1
93.03400	1.8
95.05019	44.7
97.06577	13.2
99.00880	7.6
99.08180	3.7
100.01666	19.9
103.07839	1.6
106.04275	2.9
107.05042	4.4
109.06585	4.3
111.00915	1.7
111.08163	8.7
113.06052	2.7
113.09709	14.4
115.07660	9.8
118.14302	1.8
127.07648	30.4
127.11285	4.3
139.07706	17.7
141.09245	15.1
149.09761	2.7
151.07629	3.0
151.11308	21.2
153.09225	2.9
153.12836	2.8
155.10742	3.1
161.09763	1.8
163.11261	10.3
169.08665	20.2
169.12363	4.4
171.10271	100.0
185.11824	14.9
189.09245	2.6
197.11852	4.0
199.13367	8.7
201.11430	2.0
207.10297	12.3
209.11748	3.3
213.11339	3.7
215.12866	3.3
225.11353	19.8
227.12915	28.1
255.86716	1.7
261.18646	3.0
279.19800	16.1
279.68094	1.8
305.17905	4.3
308.59192	1.9
315.55057	1.8
323.18652	3.1
341.19897	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	341.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13545	1.0
59.01382	14.6
59.62081	1.0
63.94266	1.0
70.89049	1.2
71.01395	2.9
85.02932	1.2
89.02404	1.7
93.03463	2.6
97.06602	1.9
97.24133	1.3
108.06549	1.4
113.09742	2.5
115.07642	1.4
121.02952	14.7
127.07673	2.6
136.05293	1.7
136.19800	1.2
141.09224	1.2
147.03027	2.2
161.05975	1.7
165.12874	5.2
168.04280	1.3
169.12383	5.8
181.12296	5.5
183.13882	1.7
188.04803	11.8
189.05586	22.3
193.12369	2.1
195.13948	2.0
205.08769	2.6
211.13467	9.0
221.15489	2.2
222.05295	11.1
231.12360	2.7
242.69374	1.6
247.20590	5.4
265.21823	1.4
273.18637	2.6
275.60184	1.5
291.19675	40.4
292.36887	1.2
293.08377	1.4
309.20764	100.0
326.11526	9.4
341.10229	3.4
341.13959	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	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	4.4
58.00602	7.9
59.01390	11.6
61.19423	1.5
61.72829	2.1
65.49518	1.6
69.03460	2.2
71.01387	10.6
72.02188	3.8
73.02941	13.5
73.20676	1.7
80.02678	2.5
84.02168	3.8
85.02969	10.4
91.65318	2.0
93.03403	2.1
95.05016	51.6
95.91445	1.7
97.06599	9.4
99.00882	2.1
99.08170	3.7
100.01670	19.6
103.92635	1.9
107.05032	4.6
109.06604	4.4
111.08216	6.2
113.06082	3.6
113.09743	13.0
115.07627	15.4
123.08187	2.5
125.06084	4.4
125.09713	6.8
127.07652	27.9
139.07626	14.2
141.09241	7.6
149.09760	7.5
151.07635	4.1
151.10126	2.3
151.11247	18.1
153.09177	3.4
163.11327	10.4
167.10767	7.3
169.08719	16.9
169.12314	9.4
171.10278	100.0
175.13838	1.9
185.11852	11.3
189.86191	2.2
195.10275	2.1
197.11810	4.3
199.13405	9.8
201.11327	2.1
207.10239	16.1
209.11864	9.0
211.13507	2.5
213.11351	9.4
215.12840	3.1
225.11275	20.6
227.12938	27.3
230.83777	1.9
261.18591	4.0
279.19687	12.0
294.94290	1.8
295.19269	2.1
305.17609	9.6
323.18707	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
58.00593	10.7
58.61752	0.6
59.01390	3.8
68.64373	0.7
69.03474	3.4
69.18981	0.7
69.56066	0.6
71.01387	1.4
71.41801	0.6
73.02939	27.1
73.61016	0.6
83.05023	0.8
84.02181	3.7
92.10783	1.0
93.03452	1.8
97.06625	1.3
101.06105	0.9
104.13152	0.7
105.05131	0.6
111.08154	0.8
117.03482	0.8
123.08171	1.2
125.06084	0.8
139.11307	3.5
141.12837	3.2
149.09702	1.0
151.11299	1.1
153.09210	0.8
153.12961	0.9
160.05298	0.9
161.06096	4.3
167.10811	1.4
168.12155	0.7
169.12334	15.8
171.10265	1.2
179.10779	1.1
185.11815	1.0
197.11877	12.3
199.13301	5.1
208.02736	0.9
209.11771	1.0
213.11348	1.8
215.12914	3.3
227.12904	4.4
231.12355	1.2
243.12386	100.0
245.14000	7.9
248.29579	0.8
254.76007	0.8
268.03769	5.0
297.11374	1.4
305.17618	0.9
323.18652	14.3
341.10489	3.2
341.19766	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	341.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92152	1.7
132.05830	2.7
161.02402	2.3
176.04733	2.7
203.03534	38.7
204.04285	23.2
236.03278	76.0
268.03793	1.9
341.10327	100.0
341.19391	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72665	1.2
58.00600	2.5
59.01384	100.0
63.22058	1.2
66.10045	1.4
71.01381	54.4
72.99327	2.1
73.02970	2.0
75.93206	1.7
79.57593	1.7
85.02962	9.0
87.00872	1.8
89.02438	62.2
92.10781	2.6
95.01361	2.3
99.00887	2.4
101.02435	25.1
103.12276	1.6
109.15623	1.6
113.02436	20.7
119.03500	26.2
127.80587	1.5
161.04530	7.7
179.05603	19.0
241.23865	1.6
294.24646	1.6
341.10916	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53407	1.1
59.01382	100.0
71.01376	62.4
73.02959	6.7
75.00899	2.2
76.19183	1.3
77.05756	1.1
83.01326	1.2
85.02953	7.8
87.00865	1.5
89.02435	74.5
92.10742	3.3
92.54547	1.5
95.01427	2.3
101.02432	23.2
113.02453	18.0
117.01945	6.1
117.68228	1.2
119.03498	20.1
123.27262	1.7
131.03503	3.0
135.02992	1.3
143.03476	2.2
149.04564	22.7
161.04582	6.5
179.05638	19.0
274.82108	1.6
316.75064	1.6
341.10852	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1395
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
50.73895	0.8
59.01387	2.9
61.15437	1.0
65.13664	1.3
90.21631	1.1
93.03471	2.2
119.05055	5.3
135.04515	1.1
148.05363	1.7
149.06081	1.9
161.06064	11.9
162.06866	1.9
163.07660	91.5
173.06068	5.5
189.05591	5.1
191.07185	18.4
222.05359	6.0
249.09261	1.9
266.09503	23.7
267.10297	33.1
279.10373	5.2
294.09140	1.6
295.09778	100.0
296.10507	4.9
298.26312	1.2
307.09647	8.6
308.10678	6.7
309.11404	7.2
310.08176	1.5
311.12952	18.9
311.74313	1.1
326.11618	99.3
341.13998	77.1
341.18237	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	341.1394
Annotation	Fragransin E1
Peak:m/z	Relative Intensity
50.32489	0.7
50.98154	0.8
53.99016	0.8
59.01145	0.8
59.01381	7.1
60.31825	1.0
65.03369	0.9
71.01389	1.9
72.63735	1.2
72.82046	0.8
83.05065	1.5
84.93729	0.9
89.02473	1.3
102.86327	0.9
108.02187	100.0
123.04531	51.2
123.05457	1.1
123.78459	0.9
161.06093	9.9
163.07655	4.2
165.05548	1.9
165.68791	1.0
202.06433	8.0
217.08711	10.5
250.38750	1.0
295.09930	2.1
296.10583	16.1
307.09894	4.4
308.10611	6.5
311.09537	2.1
311.12827	12.4
323.12912	7.5
323.18665	1.4
326.11710	5.8
329.82855	1.0
341.14011	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43218	0.4
59.01382	40.5
64.40680	0.4
67.39349	0.5
72.99310	3.2
79.69653	0.6
89.72118	0.5
92.10136	0.6
97.06573	5.0
103.47807	0.5
125.06080	17.3
143.07140	40.9
151.11299	12.1
159.42538	0.5
167.10634	0.6
169.12337	100.0
170.12675	0.7
195.10339	0.7
213.11342	51.7
245.19212	2.0
252.43628	0.6
289.17987	0.8
307.19089	0.7
339.18134	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	339.2179
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
55.09914	1.2
57.03458	3.4
59.01396	8.7
61.76548	1.2
62.43184	1.3
69.03453	2.7
69.56390	1.3
70.77397	1.3
81.03484	5.8
95.05022	2.4
97.02970	7.1
97.06570	2.4
97.90642	1.3
106.04222	1.5
107.05008	1.7
108.10899	1.3
117.24262	1.4
119.08666	1.9
121.06684	1.9
123.04534	10.5
123.08150	2.4
125.09726	10.5
127.07682	2.0
135.08171	1.7
137.09715	7.0
139.07664	2.6
141.12926	1.4
149.06116	2.2
155.10837	1.4
163.11295	14.0
171.10410	1.8
177.12762	1.8
179.10802	1.7
181.12535	1.6
185.11844	19.0
191.10831	1.6
191.14374	11.8
200.55205	1.3
207.10255	7.1
217.15866	1.5
225.11375	8.5
245.19093	35.6
271.17032	2.8
274.07452	1.4
289.18124	100.0
307.19165	35.5
321.20804	6.9
324.19330	7.6
339.21786	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95441	6.9
57.03463	12.3
59.01394	92.3
63.81279	6.6
67.80907	6.8
71.01398	7.3
78.33276	7.5
82.24895	7.6
97.06597	41.2
110.96880	10.2
111.08159	9.4
126.36438	7.4
126.82677	8.0
138.52319	8.5
151.11325	18.5
163.11342	16.8
165.12814	44.2
179.10762	11.4
181.12309	56.1
191.10796	19.4
200.62831	8.5
205.12392	10.2
209.11823	100.0
245.19154	17.9
257.21194	12.1
263.20209	8.6
279.19669	18.1
289.18185	17.6
307.19116	56.8
333.37808	7.6
339.21756	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	339.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89953	0.5
55.59893	0.4
55.65360	0.5
57.37950	0.5
58.95001	0.5
59.01386	100.0
59.24221	0.6
62.28446	0.5
64.27059	0.5
65.66046	0.5
76.48322	0.7
81.93910	0.6
97.06597	0.9
97.87131	0.6
112.23920	0.7
117.03506	0.6
125.06097	2.9
137.52663	0.6
143.07150	8.1
151.11269	2.7
169.12334	16.5
213.11324	9.8
245.19171	1.1
261.18600	0.8
339.18082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33756	6.4
54.26212	5.0
54.82605	6.1
57.03458	10.7
59.01386	69.9
64.24152	5.9
71.01399	13.4
83.05053	6.3
97.06570	24.8
151.11293	28.3
163.11324	13.2
165.12842	28.2
179.10786	10.2
181.12401	37.3
191.10748	26.3
209.11864	100.0
212.20152	6.7
227.35001	6.5
237.09282	6.9
245.19133	14.8
279.19623	12.1
289.18234	29.9
307.19205	40.2
308.20834	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.79110	0.3
56.22298	0.3
57.00659	0.3
57.84915	0.4
58.10264	0.3
62.33325	0.3
62.97435	0.4
66.30284	0.3
67.45642	0.4
76.71945	0.4
85.92136	0.4
109.79671	0.4
140.75905	0.4
163.11295	100.0
198.59755	0.4
257.98297	0.4
273.63687	0.4
339.19226	1.0
339.23337	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01381	18.8
71.01382	11.2
71.75858	1.0
72.99323	1.5
77.30788	1.2
83.01379	1.1
85.02939	2.1
89.02441	10.1
101.02422	4.4
113.02461	1.5
119.03528	1.8
126.80268	1.2
133.02943	17.0
134.03729	1.9
135.00893	2.6
135.04524	100.0
138.05580	1.8
146.03770	2.3
150.03229	21.2
151.03979	6.4
161.02446	41.0
161.06070	1.3
163.04051	1.2
164.04761	1.8
175.03972	1.7
177.02145	1.1
177.05592	1.2
178.02742	9.5
179.03499	88.8
179.06989	3.9
184.90883	1.1
203.03511	5.5
221.04585	2.5
281.06876	1.4
292.93491	1.2
341.08719	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.76035	0.3
54.61372	0.4
59.01385	4.8
63.79704	0.4
71.01385	2.2
72.99304	0.5
85.02956	0.7
89.02448	2.6
101.02479	0.5
107.05040	0.6
113.02451	0.6
116.73360	0.4
119.03514	0.5
133.02940	0.6
134.03705	3.9
135.04515	100.0
161.02429	0.8
169.89171	0.4
179.03499	58.7
193.29948	0.3
216.85425	0.4
256.91806	0.4
341.08881	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	339.1239
Annotation	Obovaten
Peak:m/z	Relative Intensity
55.90467	1.2
59.01366	1.2
60.72466	0.9
89.57579	0.9
92.10764	1.1
102.35771	0.8
117.03534	1.2
132.18445	1.0
143.05113	0.9
145.02959	7.1
163.04010	4.3
185.02475	1.3
191.08617	1.8
207.08162	5.8
209.05975	1.3
217.06511	1.6
219.08151	4.7
221.06099	2.3
223.07588	1.4
224.08466	1.2
225.05606	3.5
233.06096	1.6
234.06888	2.1
235.07654	12.7
237.09210	1.0
239.07184	1.6
245.06274	3.3
246.06906	1.8
247.07646	5.1
252.07993	1.4
253.05083	3.9
253.08774	7.4
262.06528	1.9
263.07150	26.6
264.07739	2.2
265.08453	1.3
268.11292	1.6
275.07202	3.6
276.07901	1.1
280.07541	4.4
281.08209	35.3
281.78497	1.0
291.06555	15.6
292.07458	1.9
293.08243	11.6
293.11273	1.4
294.08899	2.3
295.09814	1.6
296.10507	2.1
307.09674	3.6
308.10614	7.2
309.07733	100.0
321.17438	1.0
323.09299	19.0
324.10092	61.9
339.12408	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82746	0.7
58.46761	0.7
59.01384	100.0
68.99571	17.2
68.99899	1.1
71.01384	6.6
73.02956	1.9
82.54691	0.7
85.02976	3.6
89.02456	3.9
93.96815	1.0
101.02457	3.8
104.37959	0.8
112.98580	11.9
113.02470	1.6
122.14690	0.9
129.01883	0.7
161.04570	4.2
161.90369	0.9
177.01929	17.5
210.29877	0.8
279.14560	16.1
339.07285	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	339.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
59.01384	100.0
61.98832	1.8
70.34950	0.3
71.01381	3.1
73.02932	0.7
83.01390	0.7
85.02939	0.7
92.10126	1.2
96.71014	0.4
97.36187	0.3
101.02425	1.9
113.02457	0.7
141.81763	0.4
159.65517	0.3
161.04576	0.7
208.10390	0.4
262.30597	0.4
279.14545	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	339.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29900	3.1
57.03462	6.0
59.01389	16.4
69.03465	4.6
71.05034	4.6
72.16104	3.9
81.03450	8.0
83.05017	63.3
95.04984	7.6
97.06599	4.8
107.05041	34.2
111.04480	5.0
111.08146	4.5
123.08180	7.0
125.06104	9.0
127.07707	3.9
149.09778	6.3
152.04686	4.3
153.09250	16.9
169.12349	9.2
171.10307	28.4
174.20982	4.2
179.10793	34.3
195.10242	6.4
205.68196	4.4
213.11382	7.1
222.48091	4.2
223.09857	5.6
225.11337	45.2
241.10875	5.0
249.74779	4.9
259.17114	7.7
275.16684	8.6
277.18094	8.1
294.70538	4.5
303.16129	4.7
304.92020	4.1
321.17065	100.0
339.18155	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82948	6.5
59.01374	50.7
67.84140	5.7
68.99596	9.8
69.87703	6.2
70.91631	5.5
71.23969	6.4
72.09116	5.6
103.34893	6.8
107.62505	7.0
119.05083	9.0
123.28044	7.3
126.83523	6.8
142.80025	7.0
149.02469	9.7
166.02736	29.4
177.01920	100.0
182.79303	6.9
195.80869	6.8
339.07507	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	339.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62023	3.0
59.01378	27.3
67.29368	3.2
68.99581	20.0
77.45946	3.1
78.95866	4.8
93.03412	3.4
108.82899	3.3
112.98587	21.0
117.40144	3.3
133.21591	3.7
149.02473	5.0
166.02696	14.1
173.22067	3.4
177.01938	100.0
181.05075	7.9
290.24399	3.5
302.37527	3.6
308.97925	3.2
339.07275	14.4
351.93848	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	339.0932
Annotation	Cellobiono-1,5-lactone
Peak:m/z	Relative Intensity
57.03455	64.0
59.01385	31.6
59.01658	2.3
62.56733	1.1
62.61373	1.1
62.74187	1.1
64.24408	1.3
71.01382	13.3
71.01714	1.0
73.02943	1.2
75.00880	10.6
78.95910	1.6
82.82696	1.2
85.02974	5.4
87.00903	6.4
89.02475	5.9
99.00894	2.6
99.04518	78.9
100.05526	1.3
101.02444	34.9
105.01946	6.7
105.40850	1.4
107.68379	1.3
110.44223	1.3
110.45054	1.5
111.00877	2.7
115.00434	2.5
129.01903	11.3
131.27438	1.3
133.01469	6.8
133.05069	25.5
141.01958	1.8
147.03070	5.8
161.04561	100.0
177.04024	9.8
189.07916	1.6
195.05083	19.1
321.08334	1.5
330.27924	1.6
339.09341	26.0
339.13016	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	337.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60360	2.4
57.03468	3.7
58.53543	2.6
58.91013	2.7
59.01386	16.3
59.69668	2.3
71.01378	4.1
82.12554	2.7
90.13254	2.5
101.15821	2.7
110.08743	2.8
121.46541	2.9
129.09181	5.1
198.93967	3.0
219.13956	3.6
223.13417	4.5
237.15015	12.9
319.22717	19.3
337.23892	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	337.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.8
59.01397	10.2
68.37705	2.4
78.02577	2.5
84.38206	2.3
111.08215	2.3
113.09745	4.0
129.09270	3.8
131.27007	2.7
136.84947	2.7
153.88234	2.5
165.12849	3.1
223.13464	10.1
237.14969	25.6
261.03973	2.6
305.17575	4.7
319.22824	13.3
337.23871	100.0
350.71469	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	338.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	84.5
61.98824	78.0
102.20160	66.4
114.69243	67.9
116.40685	58.5
177.01947	100.0
241.15282	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00502	0.9
55.72861	0.9
56.68742	0.9
57.03452	42.8
57.07862	0.9
59.01384	16.4
64.96714	1.0
71.01379	45.0
72.99294	8.9
73.02938	2.0
75.00880	4.9
78.95921	1.2
85.02950	10.1
87.00874	9.2
89.02454	5.5
99.00880	2.3
99.04508	48.0
101.02439	19.9
103.03992	1.4
105.01950	5.1
108.40826	1.0
111.00835	1.3
112.98805	9.7
114.99545	2.2
115.00372	60.4
117.10904	1.1
123.04510	1.3
125.02390	1.2
129.01065	1.8
129.01953	31.0
133.01431	100.0
133.05077	9.7
142.99852	2.4
147.03004	23.5
161.04561	57.0
165.04117	1.2
177.03983	5.2
191.05493	1.4
195.05101	12.2
306.42712	1.4
321.08191	1.9
326.31262	1.3
335.07486	1.1
339.09427	15.3
339.13065	1.9
359.36761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
55.54656	1.8
59.01389	2.9
89.84816	2.2
124.16737	2.9
133.81596	2.4
138.38229	2.0
148.31117	2.3
165.12990	2.3
171.10254	21.2
251.16397	7.0
319.23050	4.0
337.23901	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	337.2387
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
52.10007	0.7
54.82681	0.9
56.63615	0.7
59.01392	7.0
59.30531	0.8
92.65799	1.0
93.70351	1.0
99.75953	0.9
115.07677	1.0
127.07736	1.0
135.00456	0.9
148.59944	0.9
193.15935	1.0
209.15509	2.2
221.15524	6.7
222.53462	1.0
223.54666	1.0
237.15164	1.3
239.04951	0.9
291.19864	1.3
293.25107	1.5
319.22861	11.4
331.83167	1.0
337.23904	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	337.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28866	1.3
59.01379	15.9
71.01385	3.0
83.05030	2.4
89.56147	1.7
91.02352	1.5
97.95505	1.4
113.38095	1.5
114.49830	1.7
127.11356	2.2
131.94875	1.7
139.11276	2.3
141.09254	1.9
165.12874	7.0
168.11534	2.2
187.65224	1.7
247.20644	2.1
255.23489	1.7
275.23792	9.5
298.77286	1.6
319.22842	64.4
337.19827	3.8
337.23911	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	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52998	0.6
57.03451	1.5
59.01381	14.8
61.98829	100.0
71.01386	3.8
71.60145	0.6
74.84389	0.7
81.03423	0.9
89.02438	12.3
96.96018	4.6
99.04548	2.9
100.04065	0.8
101.02444	3.8
113.02463	1.7
113.06032	2.5
139.04050	0.9
161.04491	2.9
166.08415	0.8
179.05678	1.2
274.09357	10.3
337.06937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07325	45.8
52.96489	45.3
53.30093	45.6
54.83139	56.9
59.01391	98.5
61.82648	51.6
61.98864	77.9
75.77862	47.5
121.22783	75.6
136.07796	100.0
158.48448	57.1
175.46950	66.8
176.48282	51.2
202.19221	56.4
217.65256	61.2
234.39484	53.6
333.20462	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09478	1.2
55.42286	1.3
57.03459	2.0
57.09666	1.3
57.42155	1.2
59.01383	11.9
65.72596	1.2
67.41937	1.5
68.99827	1.7
71.01374	3.4
73.02947	2.0
73.05399	1.4
75.37495	1.6
78.95910	2.4
85.02957	7.7
87.00888	2.3
90.60415	1.3
97.28552	1.5
99.00868	3.2
101.02456	8.4
111.00877	2.9
113.02457	3.5
113.99596	28.8
115.00394	8.2
118.27158	1.3
127.00370	2.4
135.26366	1.4
140.34972	1.2
145.01433	3.3
151.19734	1.3
157.01442	7.0
162.89372	6.3
174.01695	27.9
175.02451	1.5
206.38078	1.8
277.05661	19.9
337.07819	100.0
337.11258	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	335.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60326	0.8
55.87128	0.9
69.38826	0.9
71.96552	1.1
75.26762	0.9
87.33266	0.8
137.24677	0.9
335.22314	100.0
336.22556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49295	4.3
59.01387	11.9
73.81170	4.8
97.20248	5.5
100.81517	5.2
111.08177	32.0
111.86966	5.4
152.54982	5.3
223.13393	100.0
237.15031	6.1
238.05435	4.9
251.08391	5.1
289.21686	8.4
298.20166	5.6
317.21240	22.4
331.37140	5.6
335.22305	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2231
Annotation	8-iso-PGA1
Peak:m/z	Relative Intensity
57.96302	0.8
59.01390	6.3
69.03474	1.1
71.01403	1.4
83.68794	1.0
88.49361	1.1
97.06596	1.4
113.09743	1.6
115.07642	2.1
117.54303	1.0
141.09171	1.3
141.36450	0.9
144.47136	1.1
148.63393	1.1
165.12923	1.6
185.77930	1.0
191.14453	1.7
193.15938	1.3
197.90941	1.0
204.96811	0.9
207.13957	1.6
218.56320	1.0
221.15504	1.0
237.14999	4.4
273.22293	5.7
307.22668	1.5
317.21255	35.7
317.24716	2.0
335.22324	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	336.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82915	1.2
57.03450	1.6
58.84206	0.8
59.01398	5.1
66.52366	0.9
71.01394	1.2
73.00714	1.1
78.55598	1.1
87.00902	1.3
94.02977	38.2
106.45004	1.2
114.05639	1.4
126.05569	1.5
127.52975	1.0
138.01968	100.0
143.43979	1.0
166.26611	1.0
300.07349	1.9
336.04858	13.5
336.13568	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	336.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.0
62.48022	14.3
68.03893	13.7
71.98856	13.8
92.03149	16.6
92.10762	26.4
94.95956	15.5
102.78499	14.5
118.58439	16.7
125.52367	16.6
137.11029	17.6
138.05623	100.0
214.16937	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	337.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72634	2.0
57.03452	5.5
59.01382	83.7
60.31939	2.0
61.98833	100.0
70.10078	2.2
71.01383	12.8
73.02934	3.1
84.95132	4.2
85.02962	4.6
86.89610	2.3
89.02451	12.6
93.03465	19.6
96.95973	2.5
101.02441	8.5
113.02453	2.9
113.06090	2.5
119.03468	3.4
120.66108	2.1
125.02421	3.0
127.75217	2.3
137.02428	25.1
139.04010	5.6
153.46936	2.5
157.04970	3.4
161.04565	9.5
163.75578	2.2
179.05609	5.3
209.96870	2.2
274.09326	4.6
277.12857	5.3
313.93033	2.3
337.07764	3.7
337.11380	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61765	0.7
54.78337	0.8
55.01878	0.9
58.58649	0.7
59.01391	4.4
60.24846	0.7
65.97234	0.6
68.99826	4.3
71.01390	4.0
73.02934	1.0
75.00850	1.3
77.69727	0.7
81.87744	0.7
83.01377	1.2
85.02949	7.2
87.00887	2.9
95.01424	1.3
99.00850	6.0
101.02450	1.1
106.25568	0.7
111.00915	3.4
113.02461	7.7
113.99585	29.7
115.00378	9.5
127.00362	3.5
129.01956	4.7
139.00508	0.8
157.01471	6.6
169.01437	1.4
174.01691	23.6
277.05637	22.2
337.07809	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	335.223
Annotation	Prostaglandin B1
Peak:m/z	Relative Intensity
59.01389	7.3
59.86119	5.2
64.43800	5.2
66.68905	5.0
74.51897	5.7
100.14431	5.2
139.11266	26.7
150.11928	6.4
151.11304	8.4
158.35803	6.2
158.50180	5.7
159.57301	6.2
190.63132	6.0
235.13428	100.0
245.75258	6.4
273.22217	9.8
317.21249	48.1
335.22336	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	335.2231
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
58.37725	1.0
59.59254	1.0
63.05210	1.1
64.49911	1.0
66.08170	1.1
107.79526	1.2
154.76419	1.1
154.92401	1.2
182.43971	1.2
277.74545	1.2
291.97565	1.4
335.22327	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	335.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.9
67.23369	0.7
72.46984	0.9
88.29581	0.8
90.55522	0.8
104.63898	0.7
131.50926	0.8
155.46742	0.8
157.76927	1.0
235.20998	0.8
253.21736	100.0
254.21960	1.1
267.04376	0.9
274.89902	0.8
335.22128	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	335.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19230	2.7
59.01385	78.5
59.34385	2.5
62.96195	2.8
99.00621	6.4
100.21639	3.3
135.89969	3.7
143.00581	4.4
253.21732	100.0
299.25705	5.0
335.22110	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24417	2.2
51.83590	2.3
58.01123	2.4
59.01390	15.1
71.01379	2.6
78.40812	2.4
87.43652	2.6
97.02950	6.0
121.07815	2.7
165.12834	3.2
179.10789	4.6
205.15979	4.1
207.13918	6.3
213.79074	2.9
273.22305	4.7
317.21268	79.6
335.22324	100.0
340.81540	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	335.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66944	6.9
54.91483	8.8
59.01392	37.0
97.02933	20.5
111.08153	52.2
179.14291	10.0
186.11572	9.3
223.13428	92.6
307.01688	9.6
317.21271	77.6
318.76022	9.8
335.22406	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	334.057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23633	0.2
61.98832	100.0
64.55505	0.2
92.10235	0.4
95.40006	0.2
102.08502	0.2
119.05064	0.4
271.05942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21660	0.3
59.01392	0.4
61.98833	100.0
62.31526	0.3
70.74416	0.3
83.21072	0.3
92.10756	0.5
123.14165	0.3
154.04401	0.3
171.21422	0.3
171.71043	0.3
174.01712	0.5
186.65324	0.4
246.21692	0.3
272.11227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
66.46397	0.3
340.06918	0.3
346.26080	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	334.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82566	0.3
57.28363	0.3
61.98831	100.0
77.26199	0.2
80.70155	0.2
105.80479	0.3
114.99875	0.3
133.27963	0.3
145.31847	0.3
196.70522	0.4
220.08093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83064	20.7
55.17161	21.1
57.24993	25.6
59.01385	100.0
61.98837	37.8
63.39731	20.5
76.55966	22.5
100.84188	30.5
115.69992	24.3
124.78293	23.9
165.43382	24.1
232.33914	24.1
242.26898	27.2
269.28558	29.3
337.46521	29.9
346.96323	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	335.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33400	1.9
58.02979	23.0
59.01383	4.2
60.41460	2.0
60.80526	2.4
71.01376	3.5
81.20512	2.0
83.68497	2.4
84.04543	5.4
84.22413	2.3
86.85985	2.6
96.96062	2.8
100.07627	3.6
102.05600	59.4
107.92720	2.1
112.05894	2.1
128.03528	100.0
144.28925	2.2
146.04579	45.4
146.06158	5.7
150.91949	2.3
164.07161	4.3
186.09122	3.5
191.77921	2.4
206.08217	19.8
216.94151	2.4
232.09680	5.0
291.13489	2.9
317.11359	13.2
335.12518	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	37.2
67.60209	14.3
72.66872	12.7
75.00874	100.0
84.11885	15.6
88.98817	23.5
89.65955	13.1
91.58285	13.4
95.67657	19.1
189.61261	17.1
209.11858	62.3
227.68124	15.6
235.04800	22.1
259.13428	24.7
335.14957	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	335.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
58.00598	1.5
59.01383	100.0
59.72993	0.9
71.01378	42.0
72.99310	2.1
73.02941	1.2
83.01400	3.9
85.02943	8.4
85.03396	0.9
87.00900	1.3
87.88080	0.9
89.02442	43.0
90.69737	0.9
95.01399	4.2
101.02441	29.2
113.02454	16.4
119.03486	18.9
126.47319	0.9
137.06148	1.0
143.03439	1.3
149.04611	1.2
155.07138	7.4
155.79726	0.9
173.08217	1.9
179.05656	1.2
180.27393	0.9
180.84789	1.0
266.36844	1.0
335.13531	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22942	0.3
67.01885	1.8
69.03453	100.0
85.57257	0.3
123.66949	0.4
129.01408	0.4
162.51270	0.3
163.82384	0.4
209.03581	0.4
224.79970	0.4
247.55867	0.4
251.50420	0.4
289.21753	24.3
289.25049	0.8
305.21161	0.5
333.20764	45.7
334.21188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2075
Annotation	(-)-Cassaic acid
Peak:m/z	Relative Intensity
53.49429	7.2
59.01392	17.7
59.31603	6.9
60.61496	6.9
64.34589	8.0
66.50188	8.3
81.81422	8.9
83.79168	8.5
97.02940	7.5
97.06557	10.8
115.54440	8.4
127.31033	8.4
137.09660	8.6
157.90657	9.8
200.78181	9.1
209.48282	8.3
218.56000	9.4
235.13382	100.0
271.20929	12.8
315.19757	50.9
333.21014	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	333.9264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15758	1.7
57.03448	2.8
59.01387	4.6
68.24710	1.5
71.01378	3.4
74.74406	1.9
79.20866	1.9
87.92535	34.1
89.94706	1.6
96.96004	10.5
99.22214	2.3
103.92030	86.4
104.92809	73.0
105.93592	3.6
106.94381	1.9
114.94817	2.0
120.96854	1.8
123.94646	27.1
128.03537	7.5
142.89124	2.5
144.76997	1.7
145.96739	32.3
158.89250	2.7
159.89377	63.1
160.89261	11.9
161.96193	10.5
163.97716	3.6
173.96194	49.8
189.95781	2.7
199.94145	12.2
216.91716	2.1
217.95210	100.0
288.29706	1.9
315.90057	2.0
334.11429	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	333.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22404	0.3
56.94167	0.3
57.07793	0.4
59.01385	19.9
71.48609	0.4
73.14861	0.4
122.17117	0.4
146.81111	0.4
233.19142	0.8
251.20186	100.0
252.20488	0.9
275.76086	0.4
297.27042	0.5
333.20532	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	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98203	0.6
59.01381	0.8
63.33833	0.7
67.01888	1.2
68.25571	0.8
69.03455	100.0
69.51997	0.7
71.01360	1.0
111.00926	0.8
117.79383	0.8
216.74231	0.8
261.97760	0.8
289.18744	1.4
289.21771	32.1
333.20740	67.4
334.21011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
54.82931	0.7
61.98854	1.0
93.30474	0.7
97.80483	0.8
103.54511	0.8
116.92852	4.8
121.70728	0.7
125.25260	0.8
195.13840	1.9
199.80792	0.7
206.78935	0.8
211.44009	0.8
242.69754	0.7
251.07925	1.1
279.19540	1.5
297.20706	24.8
333.20758	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	331.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79666	1.2
51.48157	1.2
53.37474	1.1
59.66692	1.3
69.03461	12.1
71.01378	1.7
87.53449	1.6
92.10027	1.5
97.02950	61.8
110.06756	1.8
124.47002	1.5
128.06596	1.7
178.02522	3.2
191.03288	6.6
210.01456	10.6
219.06396	3.7
223.13185	2.2
261.11060	30.0
262.11850	100.0
294.10938	12.3
331.19022	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	331.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60153	0.5
52.82487	0.5
54.86550	0.7
56.95367	0.5
59.01390	32.9
62.59069	0.5
63.74129	0.5
63.90195	0.6
65.94447	0.6
109.97470	0.6
137.28047	0.6
137.39467	0.6
184.78157	0.7
205.19727	0.7
231.17482	2.3
249.18620	100.0
250.18947	0.7
293.21188	0.7
331.18948	17.8
332.19751	0.7
337.59140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1919
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
55.32782	3.9
55.97622	4.1
59.01379	9.1
67.59405	4.1
69.03445	4.5
84.91815	4.5
85.41708	4.8
91.81531	4.2
114.64927	5.2
133.56456	4.2
190.69456	5.6
200.85002	5.2
205.80800	4.9
249.14952	6.1
331.19193	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	332.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45818	0.2
61.98832	100.0
71.16399	0.2
82.31203	0.2
111.78178	0.2
117.03473	1.6
144.73354	0.3
149.02452	0.5
151.00362	0.4
152.98589	0.2
269.04556	8.1
273.14966	0.4
274.15533	0.4
331.19168	1.7
332.19525	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	333.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87684	0.9
53.60921	0.7
59.01385	100.0
59.50415	0.8
59.99955	0.7
61.98829	5.7
62.72615	0.7
81.03473	0.9
83.01385	2.0
83.05027	8.3
90.18774	0.7
97.06603	1.5
99.18449	0.9
133.02975	0.9
135.08162	3.8
137.09749	1.1
163.07663	3.1
181.08714	54.9
199.09875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94349	2.5
64.81056	2.6
97.02983	3.8
127.07636	26.9
132.02031	3.0
165.89555	3.3
167.02652	2.9
181.12306	3.2
183.13846	4.5
196.74332	3.5
203.10477	3.6
207.52759	3.4
223.13184	23.3
233.11624	11.6
235.09552	6.3
262.11887	19.2
267.12250	17.9
282.66739	2.9
290.06961	3.0
303.19406	3.8
313.20862	3.6
315.19485	5.3
333.20526	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	331.1555
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
57.03472	0.5
59.01394	0.4
67.79195	0.5
92.10183	0.5
108.02197	3.3
119.05025	0.5
121.02962	5.2
121.06618	1.1
122.03743	17.0
123.04530	5.6
124.01638	0.6
136.05272	2.4
137.02460	2.1
139.07631	0.5
143.34848	0.5
146.90565	0.5
147.08234	0.9
149.06042	4.6
150.06859	2.4
151.03859	0.4
151.07770	0.5
154.02737	3.3
163.04073	0.5
165.05463	0.6
166.06352	5.7
167.07104	7.0
177.05588	0.7
180.07922	0.7
182.05879	2.4
192.07903	0.9
193.08694	4.7
194.09450	5.6
195.10281	9.7
200.50922	0.5
207.10239	0.5
208.07413	2.1
209.08069	0.6
215.46790	0.5
254.80304	0.5
301.02496	0.6
331.15579	100.0
332.15906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14658	0.3
56.78920	0.3
59.01397	0.7
61.98846	0.4
69.42803	0.4
78.61195	0.3
81.03452	0.4
104.77209	0.4
108.02181	5.5
109.02963	100.0
110.03298	0.5
136.01682	0.5
148.66788	0.4
149.02443	0.8
149.06076	0.4
151.04141	0.5
152.01166	2.0
153.01949	63.2
161.50749	0.3
164.04778	0.8
193.05093	0.6
226.04860	2.6
242.08311	0.4
313.03622	0.8
331.08313	0.7
331.11969	4.9
331.15457	0.9
342.64447	0.4
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	Monocillin III
Peak:m/z	Relative Intensity
59.01376	3.1
67.89443	1.1
89.53989	1.1
91.02110	1.2
91.05534	2.0
121.02934	2.5
123.04501	5.5
133.02922	2.2
135.04489	1.7
137.02458	6.0
139.03996	1.6
141.12167	1.5
149.02484	5.4
151.04024	23.0
152.04814	17.5
164.01115	3.2
165.01875	5.7
177.00703	1.5
177.01947	28.7
179.03506	100.0
180.04283	74.1
185.34985	1.3
195.03014	13.2
212.03276	26.6
284.06989	2.0
286.04831	9.3
290.84341	1.4
299.09207	8.8
301.07266	16.8
304.30612	1.3
316.09515	29.6
317.86420	1.3
330.23849	1.9
331.11859	66.6
331.23962	1.7
332.12357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1189
Annotation	Monocillin III
Peak:m/z	Relative Intensity
59.01380	10.0
86.85307	4.1
101.81147	5.3
113.26321	5.3
124.01636	10.1
135.04520	32.8
179.03519	10.5
180.04242	5.5
209.11830	9.4
212.03265	29.4
228.34706	5.3
243.14154	5.6
251.61322	5.3
273.02908	4.8
331.11923	100.0
331.24915	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	331.1189
Annotation	Monocillin III
Peak:m/z	Relative Intensity
50.12904	0.6
53.84155	0.6
62.78432	0.8
64.34755	0.8
91.05553	1.0
93.03471	3.5
107.01379	1.0
107.05037	1.0
111.04515	1.5
120.68140	1.0
121.02950	24.2
122.03713	3.4
124.01656	15.9
128.72575	0.9
134.03703	4.3
135.04518	57.0
136.01653	1.2
136.05325	6.9
137.02435	1.4
149.99580	4.7
150.03241	10.7
151.00401	1.7
153.01933	7.8
164.01140	1.6
167.03464	1.6
168.00626	8.5
178.17157	0.9
179.03526	20.0
180.04228	8.0
193.05013	4.0
194.05826	3.3
212.03296	58.4
226.04765	12.9
241.05124	1.4
242.05872	9.9
257.08151	3.8
272.10559	1.9
286.04764	1.1
287.12912	4.4
299.09198	3.8
301.07303	7.1
316.06036	1.8
316.09393	11.1
331.08432	6.6
331.11899	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	331.1193
Annotation	Monocillin III
Peak:m/z	Relative Intensity
59.01383	4.2
59.47537	0.8
61.98820	2.3
108.02171	0.9
121.02950	3.7
122.03821	1.1
137.02429	4.4
145.03001	1.0
149.02444	14.7
150.03235	33.0
151.03999	10.6
161.02428	1.0
162.01906	1.9
162.03230	43.5
163.04012	68.9
164.04741	1.7
165.01939	18.9
177.05588	25.4
179.03534	12.3
180.04243	1.4
182.02232	31.4
193.05074	4.3
193.67244	1.0
196.03836	4.9
212.03271	9.3
226.04771	1.3
249.11287	1.5
265.05060	4.4
270.05289	7.3
283.06152	12.1
285.07770	2.1
297.07733	1.4
298.08484	7.6
301.10925	9.6
313.10788	6.9
316.09647	1.2
331.11923	100.0
332.12372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.82299	0.7
55.79016	0.5
57.03460	7.3
59.01104	1.2
59.01389	23.5
63.96609	0.6
65.00330	4.7
71.01395	8.1
73.02957	2.5
78.33558	0.6
81.03465	3.7
83.01392	19.4
83.01878	0.9
85.02952	5.1
87.00874	1.2
97.02970	1.3
100.14246	0.5
101.02428	6.0
107.01402	11.4
108.02180	100.0
109.02959	15.5
111.00867	2.4
113.02444	3.2
121.02989	0.8
123.04516	3.4
124.01676	1.3
124.03339	0.6
125.02441	56.0
129.01918	0.8
131.01381	0.8
133.02902	1.3
135.04456	0.8
136.23000	0.7
149.02391	1.0
151.00375	58.8
151.03964	4.2
159.03009	0.8
161.04570	13.7
163.04021	1.4
165.02003	0.7
166.24741	0.6
168.00626	2.5
168.99977	0.8
169.01414	19.9
174.99077	0.7
175.00394	5.4
191.02013	0.9
193.01482	4.9
211.02402	0.9
271.08258	7.8
282.11456	0.7
331.06738	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.78524	0.5
59.01385	1.3
59.21176	0.6
69.03458	6.5
72.43028	0.7
83.01390	1.8
87.21593	0.7
97.02957	4.0
107.01394	1.0
116.64662	0.7
123.00872	5.4
124.01650	26.9
125.02440	99.1
144.09665	0.7
149.99590	44.5
151.00336	4.0
167.03448	1.3
168.00641	82.8
169.01401	12.5
295.72516	0.9
313.05692	9.5
331.06750	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	329.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55727	11.7
59.01395	100.0
68.73933	10.6
73.07249	12.9
92.10088	28.0
98.09911	13.6
104.67741	11.7
119.22219	12.1
221.15680	17.6
236.10440	14.0
253.18440	14.4
269.21252	83.5
329.16806	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08861	6.8
59.01380	100.0
60.08781	6.6
72.59930	6.7
95.28539	7.9
97.01808	8.2
104.98591	7.4
116.70872	7.3
121.02942	9.2
153.79330	9.8
205.02747	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03453	0.9
69.03448	0.5
71.05006	0.5
74.28480	0.5
78.91538	0.5
97.06594	0.6
99.08157	8.7
125.09722	2.3
127.11308	4.2
129.09250	0.6
139.11288	5.8
155.10756	0.6
155.14468	1.2
165.12883	0.9
167.14351	1.0
171.10265	14.3
183.13892	7.4
193.12297	3.8
209.11809	2.2
211.13434	39.5
213.94614	0.6
229.14452	21.2
293.21338	1.3
311.22290	1.2
329.23364	100.0
330.23846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
56.35630	0.7
59.01387	4.6
67.45230	0.8
71.05030	4.7
80.40949	0.7
83.05016	1.3
99.08165	1.6
107.01438	0.9
113.09727	1.3
123.08115	1.5
123.22738	0.8
127.11272	1.3
129.09198	3.4
139.11288	6.5
141.09221	1.5
141.12836	3.2
144.41080	0.8
148.05322	1.6
151.11295	5.0
169.12378	1.5
171.10268	5.2
177.05595	1.2
194.17986	0.9
199.13416	1.4
211.03964	1.0
211.13383	1.6
229.14445	7.0
230.91765	0.9
257.21176	1.4
265.21786	4.7
293.21286	1.7
297.04111	1.0
311.22369	4.7
329.07068	1.2
329.23389	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	330.047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40179	1.2
59.01381	8.6
61.98831	1.8
65.52927	1.6
65.79008	1.4
65.99844	1.5
68.01404	11.8
68.99817	28.5
71.01391	5.3
73.05372	1.2
75.91508	1.2
78.03526	1.6
82.03005	3.2
83.01409	2.5
84.00895	1.6
87.00881	7.1
92.10148	3.4
92.94836	1.4
94.02985	9.9
96.00918	8.8
96.04556	7.9
96.99310	19.2
97.02920	2.3
98.02490	1.6
99.00883	17.0
100.52155	1.4
101.02419	1.6
103.40623	1.4
107.02760	1.4
108.04604	2.2
110.02475	12.7
112.00424	23.4
112.04063	2.0
115.00307	1.4
122.02498	6.8
122.06134	11.9
123.31757	1.9
124.00396	37.6
124.04047	9.5
125.01080	1.6
126.01971	17.6
127.00388	5.1
136.07677	2.9
138.01958	19.5
138.05632	3.0
140.03552	12.3
150.05624	21.6
152.03447	1.6
157.01474	1.8
159.02989	2.8
166.01439	6.9
168.03003	29.4
184.02557	13.6
186.04076	21.7
196.06227	1.7
198.04094	10.6
210.00482	2.5
226.03607	7.7
230.02884	1.9
242.03114	2.7
250.54526	1.4
270.02585	29.2
312.10992	9.7
330.04697	100.0
330.11963	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	329.1397
Annotation	Erycibenin F
Peak:m/z	Relative Intensity
59.01378	17.0
65.00322	2.1
80.75393	2.1
87.29875	1.8
92.25560	1.7
108.02173	2.0
119.05008	22.6
121.02964	26.5
123.00860	15.0
123.04489	6.7
134.03734	11.4
135.04538	11.1
137.02437	17.3
138.03268	2.2
141.05699	1.7
145.03049	4.0
147.04533	16.6
149.06090	3.3
161.06088	13.5
165.05522	3.0
167.07187	3.8
171.04477	10.5
179.07137	2.2
187.04132	2.2
192.07913	8.8
193.08755	2.1
201.23778	1.8
206.09506	2.7
209.04538	7.9
217.09300	1.8
221.33133	2.0
227.03505	3.0
243.12378	2.4
268.07486	2.0
269.08197	10.3
271.05859	2.0
283.09564	13.6
296.10403	2.5
297.11322	14.4
299.01907	2.2
299.09274	10.5
311.16623	4.0
313.10803	14.6
314.04269	4.5
314.11600	26.9
329.06750	3.8
329.10297	28.3
329.13989	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	329.1867
Annotation	Alstonoxine B
Peak:m/z	Relative Intensity
59.01386	7.0
71.75986	1.1
75.27702	1.3
76.57509	1.3
91.00854	1.1
92.10760	1.4
110.92509	1.5
188.25729	1.2
198.08052	1.2
219.43483	1.2
220.14711	1.8
221.15431	2.6
225.22282	4.2
234.08842	1.1
253.21738	1.4
271.22800	72.9
276.03897	1.2
329.18686	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	329.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	4.5
68.16797	2.1
77.83950	2.2
110.94043	2.1
110.96957	2.3
208.60638	3.2
225.22260	78.8
271.22787	100.0
281.22610	2.2
329.18671	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1033
Annotation	Ficusal
Peak:m/z	Relative Intensity
53.06854	1.9
54.61435	2.1
54.82414	2.3
59.01384	100.0
69.50240	1.8
83.01405	2.0
83.05013	3.0
121.02950	3.6
133.02972	4.0
134.03743	47.5
137.02432	4.6
147.04575	2.6
149.02490	9.7
150.03177	2.6
170.59387	2.1
178.02739	2.5
193.05017	8.7
194.70876	2.6
199.66985	2.5
209.05975	2.4
213.05501	2.4
225.05600	3.6
237.05676	2.9
241.05034	15.3
243.12318	4.0
253.05032	22.5
265.05142	9.1
269.04474	21.6
269.07062	4.5
280.07162	2.6
281.04709	21.7
284.06848	14.7
296.06995	9.7
299.09265	29.2
311.09229	13.2
329.10443	29.7
329.13916	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	329.1034
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
52.17331	0.7
52.47671	0.8
59.01387	11.4
61.25233	0.9
90.42223	1.0
92.10779	0.9
93.03457	1.2
108.02182	1.6
109.02951	35.3
119.05003	1.1
121.02956	13.6
122.03772	1.6
133.02988	2.2
134.03740	23.3
135.04567	7.5
145.02957	14.2
147.04535	5.0
148.05327	1.1
149.06088	9.2
153.01936	1.1
177.01979	1.0
188.72606	1.0
198.06815	1.1
207.06644	1.5
209.06087	10.6
210.06873	1.4
212.04855	1.9
213.05618	1.1
223.46915	1.0
225.05637	2.5
227.07191	6.4
229.04921	1.6
237.05533	16.3
238.06400	8.6
240.04256	10.3
241.04919	1.0
251.05951	1.4
253.05119	5.0
253.08759	4.5
254.05855	17.6
255.06660	63.8
269.08267	19.4
270.08994	28.9
273.07663	1.1
282.05304	1.5
285.11435	8.0
297.07785	2.4
299.05588	4.6
311.13168	1.5
313.07217	2.5
314.08057	17.3
329.10358	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01395	2.5
61.98851	0.5
71.01350	0.7
78.96922	0.5
80.02669	0.7
83.52621	0.5
85.02946	1.0
108.02177	100.0
111.00816	0.6
123.04518	33.9
146.16757	0.6
151.04233	0.6
152.01157	62.3
167.03494	96.9
168.03862	0.5
170.94344	0.7
213.38956	0.6
329.08871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0672
Annotation	Dryopterin
Peak:m/z	Relative Intensity
58.44636	1.7
59.01381	25.4
60.39490	1.5
65.00333	4.0
69.81824	1.5
73.98526	1.5
77.03980	11.3
79.01888	41.7
93.03465	10.5
95.05029	2.1
97.02939	12.5
117.03561	2.0
119.05020	100.0
121.02940	46.2
136.39969	2.2
137.02460	2.5
144.14641	1.8
145.02942	2.3
161.65039	2.0
163.00240	2.3
165.01921	67.0
179.03493	8.0
183.02963	9.8
187.04076	2.1
191.03496	8.3
241.08838	2.5
285.07721	55.3
329.06711	67.1
329.10553	2.6
329.19479	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	329.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77100	0.2
59.01385	5.2
61.01796	0.2
61.98833	100.0
71.01379	0.6
85.06374	0.2
85.24398	0.2
86.13614	0.2
89.02418	0.4
96.95988	0.3
108.02199	0.3
108.26196	0.3
109.02974	0.4
112.53764	0.2
122.03763	0.3
123.04511	1.2
134.04738	3.9
135.05054	1.4
137.03581	0.6
160.38289	0.3
186.95662	0.3
198.88222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05003	0.3
57.03445	0.4
58.15141	0.3
59.01384	4.8
61.13166	0.3
71.01378	4.6
71.84906	0.3
73.02946	0.9
77.86420	0.4
79.57985	0.3
81.87827	0.4
82.64919	0.4
83.01407	0.7
84.92209	0.4
85.02939	3.0
87.00893	0.6
88.98829	0.5
96.96008	0.4
99.00886	1.4
99.04503	0.5
101.02430	2.9
105.41050	0.4
108.02169	5.1
109.02957	1.8
113.02456	2.3
121.02930	1.8
122.03728	100.0
123.04514	13.3
135.04509	1.6
136.05289	0.5
137.02461	0.9
137.03528	0.7
137.06085	1.8
147.04535	0.9
150.03328	0.5
152.01146	2.5
153.96542	0.4
159.02977	0.7
161.04562	5.1
165.05562	3.1
167.03513	4.9
177.05490	1.6
197.29053	0.4
285.09784	1.5
329.08890	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61908	0.7
57.69625	0.8
59.01382	73.5
59.16092	0.6
63.81385	0.6
65.28366	0.6
78.17339	0.7
78.99659	0.6
115.02511	3.6
117.00443	7.5
143.01996	1.3
157.03566	1.4
159.01495	100.0
160.01689	1.0
168.99966	0.9
170.97858	1.3
179.10164	0.6
186.88321	0.9
187.00984	93.3
201.02563	13.9
202.02554	0.9
236.77390	0.7
329.02127	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	329.0671
Annotation	(-)-4,11,12a-Trihydroxy-9-methoxyrotenone
Peak:m/z	Relative Intensity
52.95087	1.1
54.73322	1.5
54.82928	1.2
55.76414	1.4
58.82443	1.1
59.01380	18.6
59.01600	1.0
60.17008	1.2
65.00332	3.1
67.48476	1.4
68.99834	1.6
70.73627	1.4
76.58086	1.4
77.03950	13.2
79.01882	45.6
83.01385	1.5
89.10778	1.4
93.03457	12.8
95.05056	2.9
97.02934	15.2
109.02983	1.6
119.05016	100.0
121.02943	53.1
135.04587	2.4
137.02454	7.3
139.04019	7.3
145.02965	2.8
147.04532	2.4
151.04015	2.0
161.06078	2.6
165.01930	73.5
172.27461	1.4
179.03514	6.6
183.03015	13.0
187.03897	2.3
191.03471	7.1
197.39349	1.4
199.07712	1.6
205.01306	1.7
205.03464	1.3
212.04860	1.7
241.08629	2.7
269.08276	21.5
271.09769	2.5
278.38852	1.6
285.07687	47.1
299.09201	15.4
314.11780	10.7
329.06717	63.4
329.13913	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
51.82300	2.8
56.15443	2.9
57.67481	2.3
59.01392	5.1
73.78631	2.6
100.78336	2.7
122.66016	3.1
135.11168	3.1
166.47792	2.8
185.00746	4.2
200.05240	3.5
239.19121	3.4
241.19957	3.5
265.25378	96.5
309.24359	34.4
327.18643	12.1
327.25430	100.0
332.15280	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	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.26699	1.5
59.01385	100.0
101.23469	1.7
101.31363	1.9
109.26165	1.8
135.12524	1.6
144.13748	1.8
147.23126	1.8
190.01738	2.2
218.79552	1.7
327.29089	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
58.52285	0.7
59.93081	0.7
61.98861	0.8
68.21928	0.8
70.58527	0.7
158.60637	0.8
191.88539	0.9
195.52351	0.9
267.26797	1.2
279.03833	0.8
281.28381	1.2
309.27991	1.3
327.29074	100.0
345.97275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82579	4.3
59.01415	3.1
60.37119	3.5
61.98847	18.2
73.73356	3.7
92.69827	3.8
111.08151	4.7
113.33998	3.7
124.51628	4.2
197.11952	14.7
198.12201	31.2
200.13786	3.9
222.20168	3.9
261.65363	4.2
301.98288	4.0
328.22153	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
66.02482	0.6
68.22923	0.5
77.62378	0.6
101.79882	0.7
111.08161	3.8
113.09738	2.9
127.11312	1.4
129.09222	3.1
139.11313	2.9
141.09227	1.0
153.12845	2.5
157.12334	3.4
167.10869	0.6
169.12389	1.1
171.10316	2.6
185.11888	1.4
198.12592	1.2
253.21776	2.7
281.21259	25.8
327.21808	100.0
328.22095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
57.47104	0.3
59.01395	1.6
64.82699	0.4
65.32084	0.4
69.03473	0.6
71.05023	1.5
71.97984	0.4
73.02972	0.6
76.58065	0.5
81.03465	1.5
83.05014	4.1
83.68763	0.4
95.05013	0.9
103.72229	0.4
108.76546	0.4
109.06585	0.5
111.08173	1.7
113.09743	2.0
123.08163	0.6
127.11273	1.7
139.11276	0.9
141.12871	0.6
149.09718	10.7
150.10464	0.4
151.11246	2.8
153.12823	0.7
165.12831	3.4
167.10771	5.3
167.14435	8.8
168.11597	4.2
171.10271	0.5
177.40080	0.4
178.10004	4.6
183.13948	0.5
185.11815	0.4
196.11105	3.2
197.11737	0.5
211.13463	0.8
235.20705	1.6
245.19096	2.5
250.47302	0.4
263.20172	40.0
269.12396	0.4
291.19662	0.4
309.20825	2.7
327.21799	100.0
328.21921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48611	1.1
57.03460	7.5
58.00596	2.2
59.01359	1.2
75.35063	1.3
79.47668	1.5
83.05051	1.3
85.69445	1.2
92.10779	4.2
99.08137	1.7
113.09715	5.7
115.07661	7.8
124.05215	1.7
125.09704	2.1
127.07432	1.5
139.11275	8.9
153.12828	3.0
169.12321	2.7
181.12288	2.8
197.11832	6.1
199.13412	20.7
200.64717	1.5
209.11797	3.3
213.11453	1.6
215.12857	2.9
219.24037	1.5
227.12895	37.3
229.14488	9.0
241.42609	1.3
291.19644	2.2
296.25165	1.7
309.20682	12.5
327.12387	2.1
327.21805	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00108	1.3
71.01434	1.3
80.02681	2.3
81.44358	1.3
83.05035	8.5
84.02183	2.1
92.65348	1.2
95.20762	1.2
96.80243	1.2
99.08156	2.1
125.09743	2.5
127.07650	2.7
129.09207	27.2
129.10086	2.1
141.09238	14.6
163.11261	10.1
165.12885	6.5
181.12299	1.7
185.11818	37.7
197.11850	38.5
209.11850	100.0
227.12933	6.4
241.09833	1.4
291.19739	8.7
309.20724	15.1
327.21820	88.7
327.25714	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52039	0.3
57.03438	0.4
57.81078	0.3
58.46115	0.3
59.80134	0.4
62.79937	0.3
62.96317	0.4
66.05029	0.4
66.30853	0.4
72.99324	0.7
77.69865	0.4
82.02085	0.4
97.06593	2.2
99.08172	2.1
101.13717	0.4
113.09744	0.8
115.07661	2.6
127.07643	2.8
128.08412	3.8
129.09195	0.6
132.72610	0.5
139.11287	1.8
141.09293	0.4
143.10820	0.7
153.12860	3.7
154.09953	0.6
160.07365	0.5
168.06013	0.6
181.12392	0.4
183.13867	0.7
191.97681	0.4
199.13380	1.6
212.14143	1.4
244.12981	0.5
253.21716	0.7
263.20074	1.7
281.21216	26.7
309.20502	0.6
322.66434	0.5
327.21796	100.0
328.22238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.96464	38.4
77.29050	44.2
79.64095	45.2
127.89821	48.4
128.10344	41.4
194.44945	44.0
296.01959	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10142	18.1
54.82792	23.3
59.01392	100.0
62.60512	22.4
64.80158	24.4
88.08498	24.6
97.06573	25.9
151.11290	23.8
171.10249	28.8
179.72849	24.0
197.11960	27.8
222.65369	26.3
278.55609	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90527	3.3
59.01393	16.2
63.97081	3.0
69.03461	6.7
72.99306	100.0
74.44532	3.5
77.47693	3.5
77.77716	3.3
83.01429	6.4
83.05056	7.7
92.10126	5.1
95.08340	3.5
97.06605	7.0
113.12766	4.6
121.03046	4.3
123.04590	11.8
123.08153	5.1
125.09711	23.8
132.68018	3.4
139.11272	15.0
154.42186	4.0
163.11293	7.4
165.12894	21.7
167.10797	18.6
181.12326	5.7
209.11821	30.5
247.20749	7.7
291.19736	35.7
300.15533	3.9
322.84006	3.8
327.15924	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03458	2.2
58.00606	0.7
59.01380	2.1
69.03452	1.4
71.01392	0.6
71.05006	0.3
72.88309	0.3
81.03472	0.4
83.05038	1.5
84.02229	0.4
85.02948	6.3
95.05022	2.4
95.58387	0.3
97.02911	0.4
97.06583	9.4
109.06657	0.4
110.03738	0.7
114.39408	0.4
123.08149	0.4
125.09729	3.1
127.07638	0.4
127.11289	4.0
137.09729	0.7
153.12880	0.3
155.10805	1.5
155.14442	0.6
163.04393	0.3
163.11336	1.2
165.12857	2.8
167.10808	0.6
167.14415	1.3
170.06879	0.3
171.10266	12.7
173.05980	0.5
177.12866	2.7
181.12350	0.4
183.13916	8.7
185.11786	2.9
193.12366	2.4
197.11861	1.4
203.10895	0.7
209.11862	3.0
211.13422	42.2
221.11858	5.9
229.14474	22.9
239.12909	3.0
247.20685	0.4
278.06171	0.5
291.19699	6.6
298.66513	0.4
309.20770	2.0
327.21814	100.0
328.22128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03464	1.8
73.02940	3.5
73.21676	1.3
99.08157	6.6
111.08151	1.8
113.09684	1.8
115.07661	2.9
116.97216	1.3
125.09715	1.8
127.07630	3.5
127.11234	2.3
129.09207	49.3
136.69896	1.7
141.09248	18.0
155.10802	26.8
160.61777	1.5
165.12846	2.5
171.10260	16.1
176.32579	1.5
185.11819	61.9
194.58601	1.6
197.11836	54.6
209.11882	11.2
210.54803	1.7
211.13298	1.9
291.19669	22.3
297.11578	1.6
309.20782	44.2
327.21805	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	327.1606
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
52.09811	0.6
55.02152	0.6
57.27901	0.4
59.01382	1.2
59.39548	0.4
59.97957	0.5
73.83533	0.6
93.03474	1.0
108.02179	2.3
114.08384	0.5
119.05037	0.9
121.02955	15.6
122.03729	13.5
124.01642	1.1
134.03737	1.3
136.05327	7.1
137.02451	0.8
148.05295	2.2
154.02710	2.6
161.06093	0.7
163.03821	0.6
164.04791	15.2
168.04257	3.2
174.06862	5.6
175.04176	0.8
175.07640	43.3
176.08418	15.7
190.06364	15.7
191.07140	3.1
193.05043	2.2
208.07405	3.7
213.97005	0.6
222.08952	0.8
256.09613	0.6
282.08966	7.4
297.11334	3.2
312.13739	10.0
327.16049	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	327.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04805	51.1
54.42001	42.7
54.82662	44.0
58.03410	48.4
59.01392	100.0
66.59260	52.0
80.33568	46.1
92.10123	58.6
92.65491	56.0
99.04655	53.2
120.03243	50.6
128.85896	54.6
132.93297	53.1
162.20923	55.9
168.26457	57.9
218.76138	54.3
234.59575	57.3
244.99702	56.2
268.54236	55.7
277.37119	50.1
291.19626	74.9
316.22726	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.1
64.34482	0.7
66.21391	0.6
91.80253	0.6
93.03461	1.4
98.91729	0.6
108.02203	1.4
121.02953	33.7
122.03750	6.3
134.03708	3.2
135.04507	0.6
136.05289	8.7
140.40976	0.6
146.03720	0.9
146.60120	0.6
148.05276	0.7
155.10750	4.2
161.05972	0.8
164.04808	19.3
168.04282	2.2
171.10291	1.5
171.68271	0.7
174.06879	9.0
175.07643	65.6
176.08449	12.0
189.05576	0.8
189.09070	0.7
190.06375	22.9
191.07138	5.4
191.10847	0.7
193.05063	3.5
207.06674	2.8
208.07452	5.4
281.11823	3.1
282.09024	7.0
288.79126	0.7
297.11368	3.7
309.20718	1.3
312.13724	18.3
327.16049	100.0
327.22055	3.0
328.16446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86558	0.5
59.01383	2.3
84.80177	0.4
95.05053	0.6
108.02200	0.8
109.53310	0.5
109.81801	0.5
122.03734	1.8
126.48051	0.5
147.04512	2.7
148.05273	5.4
149.06085	100.0
291.19659	0.6
309.20990	1.7
327.21646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36920	0.9
58.09620	1.0
61.53652	0.9
63.27304	1.1
75.04385	1.0
93.03437	1.5
101.48741	1.1
121.02945	27.3
122.03705	5.7
132.68777	1.1
136.05283	2.7
164.04778	17.4
168.04297	1.5
174.06839	10.1
175.03984	2.2
175.07643	69.1
176.08464	12.0
190.06363	30.7
191.07143	11.7
193.05112	9.2
207.06596	2.1
208.07434	14.8
282.08981	10.8
297.11514	4.1
312.13705	28.7
327.16043	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	327.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36170	1.1
59.01384	26.8
64.34885	1.2
72.06559	1.1
74.29993	1.1
93.03454	2.4
101.87329	1.0
109.02969	2.4
121.02952	27.4
135.04509	1.2
147.04547	8.2
149.02457	12.4
158.03784	1.2
159.04492	1.4
163.04028	5.2
165.05586	1.5
175.04012	22.8
190.06323	4.9
195.08038	1.5
197.06050	4.2
209.06114	1.9
211.03891	1.3
221.06195	1.8
222.05220	8.4
222.07202	1.6
223.07600	7.6
225.05614	1.8
233.06035	7.7
235.03929	1.1
236.04857	1.5
237.05597	1.3
239.07132	7.0
240.04218	1.5
240.07983	1.3
241.05087	1.7
241.08701	1.5
249.05629	2.4
249.10988	1.6
250.06284	4.2
251.07112	14.4
253.08733	1.6
254.05957	2.0
261.05450	8.6
267.06689	13.2
268.07385	5.6
269.08252	22.0
278.05862	1.6
279.06619	20.0
280.07343	1.6
283.09717	5.8
294.08954	6.7
296.06665	1.4
297.07718	100.0
297.11127	5.4
309.11319	17.2
311.09052	2.0
312.10086	47.3
313.10764	1.3
327.12405	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
51.35342	1.0
54.90869	0.8
59.01384	27.3
64.58713	0.9
66.13661	0.9
66.23478	0.8
75.24734	0.9
92.65755	1.1
93.03461	7.3
109.02965	2.4
111.41386	1.2
121.02946	30.7
121.03745	1.9
123.04501	1.1
135.04550	4.4
145.02980	1.8
147.04533	8.8
149.02425	14.2
152.04868	1.2
159.04532	1.9
163.04007	2.2
165.05519	1.4
175.04007	24.4
187.03987	1.3
190.06303	4.1
195.08069	2.0
197.05997	1.6
203.07167	1.5
205.78625	1.0
209.06087	2.1
211.07715	4.1
212.04678	1.2
213.05556	1.1
221.06114	2.0
222.05205	8.8
223.07661	6.7
225.05717	2.0
233.06099	4.8
235.07761	1.8
237.05553	1.7
239.07228	7.8
241.05078	1.5
241.08749	2.3
249.05539	4.5
250.06308	4.7
251.07141	13.6
253.08691	1.6
254.05783	1.5
261.05551	8.0
263.07126	2.2
267.06683	9.9
268.07526	7.3
269.08218	27.7
278.05905	2.5
279.06613	19.6
280.07394	2.2
283.09796	4.6
294.08987	7.0
296.07050	1.3
297.07727	100.0
297.11206	6.3
309.11389	16.8
311.09222	4.8
312.10065	44.9
327.12415	80.4
327.22073	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	327.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55624	0.1
51.87721	0.1
55.14172	0.1
59.01384	0.3
73.02973	0.2
88.39620	0.1
93.03481	0.3
108.02209	0.8
115.07574	0.2
119.04991	0.3
121.02943	2.3
122.03744	1.0
124.01685	0.2
127.11286	0.2
131.05017	0.3
134.03682	0.2
136.05310	0.6
144.77388	0.2
147.04529	2.5
148.04120	0.4
148.05322	15.3
149.06090	100.0
150.06445	0.8
154.02708	0.2
155.10788	2.0
164.04825	0.7
171.10204	1.2
174.06873	0.3
175.07645	4.4
176.08376	0.9
185.11722	0.2
190.06390	1.8
191.07164	0.6
193.05037	0.2
208.07402	0.7
266.82480	0.2
282.09015	0.6
291.19714	0.3
297.11426	0.3
309.20694	0.7
312.10495	0.2
312.13681	1.7
327.12396	2.8
327.16104	6.7
327.21756	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	327.124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79493	0.4
59.32831	0.5
71.28436	0.4
93.03469	3.3
107.05030	2.9
119.05025	5.2
121.02959	1.4
123.77253	0.6
133.02942	1.4
133.06593	1.0
135.04517	8.8
146.03700	1.0
147.04549	1.0
148.05293	2.6
149.06056	1.1
149.19542	0.6
151.04166	0.7
155.10870	1.3
159.04524	1.1
161.06107	9.1
162.06879	81.2
163.07623	2.4
164.04808	1.3
171.10272	2.3
173.06081	3.8
174.06857	10.3
175.07658	14.3
176.04820	4.5
177.05609	0.9
190.06345	0.8
191.07123	2.8
194.05852	0.6
226.06541	0.8
244.66185	0.6
251.10620	0.7
256.07437	1.2
257.98715	0.5
266.09451	3.9
267.10342	1.2
279.10333	3.6
281.11902	2.4
283.17163	0.7
297.11349	61.0
298.11633	0.7
309.11377	28.6
309.20694	0.8
325.10760	0.6
326.20575	1.4
327.12442	100.0
327.21243	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	326.1611
Annotation	Cropodine
Peak:m/z	Relative Intensity
56.34660	2.3
59.01407	10.8
60.88388	2.0
61.98845	10.9
67.16930	2.2
68.33620	2.3
74.89268	1.9
75.89011	2.0
82.14976	2.4
84.04557	4.3
91.70111	2.1
92.10194	3.8
95.02968	2.5
96.00880	3.9
97.01720	4.1
98.02500	2.7
100.89843	2.1
102.05611	29.9
106.06645	2.4
134.04736	10.4
169.12305	11.4
179.10744	9.6
183.05464	7.9
185.11775	4.4
196.13501	2.7
199.91780	2.5
213.11302	3.5
222.11398	28.2
223.09741	20.0
240.12411	55.2
317.97272	3.1
326.16074	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	327.0514
Annotation	4,2'-Epoxy-5,4'-dihydroxy-7,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
59.01388	10.1
63.02397	2.3
65.00331	4.7
71.19885	0.3
78.91901	0.4
81.03456	0.3
83.01411	2.4
105.03460	1.6
107.01394	9.4
109.02950	0.3
117.10561	0.3
121.02948	2.6
131.05025	37.0
149.02455	12.0
151.00380	14.6
152.04774	0.3
152.61397	0.3
155.05035	0.4
169.01511	0.4
173.06079	2.7
184.49620	0.3
194.07312	0.4
195.08121	1.9
197.06093	1.9
209.11736	0.3
211.07649	0.4
215.07164	2.6
224.04875	0.7
238.06210	0.4
239.07123	4.2
241.05054	0.7
267.02936	1.7
283.06140	100.0
284.06479	1.1
292.88300	0.3
297.07730	0.4
327.05164	4.2
327.12329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93861	0.2
54.03340	0.2
55.01891	1.2
57.03466	0.5
57.88333	0.2
58.00548	0.2
59.01391	5.8
60.99318	0.2
65.03977	0.2
71.01387	6.8
73.02948	2.2
80.08514	0.2
83.01396	1.1
85.02957	3.8
88.98827	0.3
89.02438	1.6
93.03457	100.0
94.03824	0.3
95.01342	0.7
99.00894	0.5
101.02431	2.9
104.61137	0.2
113.02437	1.9
119.03487	0.3
121.02956	0.5
137.02449	4.4
159.03021	0.3
161.04536	0.4
165.01944	5.9
207.02945	0.9
267.10815	2.0
327.07077	2.3
331.68890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0726
Annotation	Bergenin
Peak:m/z	Relative Intensity
53.68608	0.6
54.11076	0.6
54.80622	0.6
55.65678	0.5
57.36176	0.6
58.26683	0.6
59.01390	4.4
61.98833	1.0
65.77151	0.6
65.89929	0.7
78.45220	0.6
92.10712	0.8
95.07407	0.8
109.02945	1.4
112.20889	0.7
118.09199	0.7
121.02964	15.0
121.63664	0.8
137.02441	16.5
164.01147	5.0
165.01932	100.0
179.03580	0.8
207.02924	2.3
208.27406	0.7
219.03119	0.8
248.06976	0.8
327.07239	30.7
327.11096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82316	0.7
59.01389	38.8
61.51723	0.7
71.00160	0.8
71.01387	13.6
72.11612	0.6
72.99310	0.8
75.00897	3.3
83.01402	0.7
85.02964	6.1
89.02452	12.2
92.02673	0.7
92.64934	0.7
93.03472	3.9
95.01425	1.3
101.02424	5.6
108.02198	1.2
109.02942	0.8
113.02460	4.3
119.03502	4.8
119.05012	9.7
120.05380	3.3
121.05692	0.8
121.06620	4.2
123.00908	3.4
123.04449	1.0
124.01688	1.1
142.06647	2.7
147.04527	100.0
150.03258	4.4
163.04042	3.9
164.04364	1.3
165.05568	49.1
171.06693	1.2
196.20876	0.9
222.05399	5.6
237.07704	16.4
237.74068	0.8
327.10904	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	325.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39214	0.7
56.37084	0.7
59.01376	1.4
59.40376	0.7
71.01382	100.0
76.17930	0.7
80.71884	0.8
150.27576	0.9
177.53658	0.9
183.01195	6.4
183.44041	1.0
211.23822	0.8
225.41753	0.8
227.83437	0.9
243.02373	0.9
247.52321	0.9
253.21814	1.0
325.18488	10.5
325.23865	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	325.2751
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
59.01384	7.4
63.44811	1.3
78.83020	1.5
92.10033	1.4
104.64159	1.6
122.88448	1.4
183.01213	14.2
221.75444	1.5
234.02043	1.5
265.21710	22.0
323.43558	1.7
325.18488	15.6
325.27527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.275
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
50.67159	1.2
59.01380	14.7
61.98839	1.6
74.09634	1.4
127.96224	1.7
138.48796	1.8
181.15163	1.6
183.01198	12.1
227.20180	63.3
257.44730	1.7
325.18716	12.1
325.27518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01387	1.1
59.52499	0.6
60.54837	0.6
61.98478	0.6
65.74529	0.6
92.10751	1.1
112.04781	0.8
148.46512	0.7
149.07962	1.0
149.09720	99.1
163.11287	100.0
164.11610	0.8
164.31668	0.8
183.01207	4.9
184.02022	0.9
251.85428	0.8
301.86755	0.7
325.18445	7.6
325.21768	69.4
325.27798	2.6
326.21976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48777	0.9
56.14899	0.8
57.87170	0.9
59.01406	1.6
59.92201	0.9
61.98826	1.2
64.34831	0.9
70.87531	1.1
79.95751	1.0
80.56488	0.9
93.31052	1.0
96.65022	1.0
105.58655	1.2
125.09727	6.3
139.11343	1.3
163.11308	8.1
167.10760	2.4
179.10757	1.7
183.01213	28.7
197.02814	14.7
197.11819	8.5
269.21280	1.6
291.40988	1.0
293.21191	6.3
307.22644	1.2
309.20602	1.8
310.21582	6.4
325.18451	67.6
325.23853	100.0
342.20755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74850	0.8
54.82659	0.9
58.75784	0.9
59.01391	2.3
59.38195	0.9
79.95737	1.6
92.10771	2.0
93.19630	1.0
119.04996	1.4
127.11308	1.3
183.01198	54.7
197.02757	3.9
225.05923	1.0
226.62398	1.1
249.22310	2.1
265.21838	1.1
269.21140	1.2
291.19595	2.0
293.21298	10.6
310.21564	5.5
325.18448	73.6
325.23889	100.0
326.24310	1.5
345.81842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89470	0.8
54.82511	0.9
55.87835	0.9
57.03456	5.1
59.01391	2.5
63.99206	1.0
64.61351	1.0
69.03455	8.4
72.99346	1.4
81.03470	1.9
83.05036	19.7
92.85659	1.0
95.05048	2.3
97.02969	1.2
97.06601	6.6
98.03748	1.7
109.06590	1.7
111.08183	6.4
113.09734	2.0
123.04520	1.4
123.08195	5.4
125.09718	1.3
126.92147	1.0
127.11281	5.8
137.09712	4.1
139.07672	2.5
139.11288	30.4
141.09244	1.5
149.09752	4.9
151.11333	1.8
155.10809	1.7
161.09747	1.5
165.12802	11.0
167.10796	2.3
170.06277	1.1
177.09291	1.2
179.10748	7.7
181.12338	4.9
183.13936	5.6
185.11781	1.9
195.10269	6.7
199.13448	2.4
205.15982	1.1
209.11880	6.7
225.11292	5.9
226.12164	1.1
227.12773	1.2
261.18655	9.0
279.19666	8.6
289.17899	2.2
297.20758	1.1
307.19208	12.7
325.20239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86345	6.4
54.82040	8.0
55.15659	6.3
56.59342	7.8
56.88324	7.9
57.03473	11.3
59.01393	39.5
67.59372	7.7
69.03444	30.0
70.55089	7.2
70.80616	8.1
73.47491	7.4
76.64682	8.7
77.74075	8.5
83.01390	34.6
83.05067	17.5
95.05013	13.4
97.02975	37.4
97.06590	56.2
103.62799	8.1
109.06590	11.8
119.05070	8.3
123.04533	46.3
123.08221	29.9
125.09718	79.1
135.08147	9.9
137.09737	54.5
142.02721	13.4
149.06096	14.7
155.10742	17.0
163.11263	39.0
167.10732	42.6
181.12376	20.1
185.11835	39.3
207.10254	44.8
209.11819	100.0
225.11336	12.4
231.06216	9.2
245.19153	35.0
276.57886	8.8
289.17987	12.1
305.95895	10.4
307.19061	18.6
325.20444	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24169	0.7
57.03457	4.4
59.01377	1.5
63.33963	0.9
69.03459	1.4
72.99336	3.1
82.17543	0.9
83.05038	1.9
94.82836	0.8
97.02945	4.5
99.24184	0.8
111.08163	9.9
118.84821	1.0
118.91313	0.9
123.08167	3.9
125.09727	1.1
137.09683	1.3
139.11217	1.0
140.81738	0.9
151.11324	1.4
168.61685	0.9
171.10274	3.5
172.30305	0.9
181.12526	1.6
183.10222	1.5
185.11823	1.8
209.11841	1.6
213.11342	29.8
227.12909	4.1
243.02437	0.9
251.10835	1.3
261.18631	1.5
263.20193	12.0
279.10123	1.2
281.18332	0.9
281.21167	7.8
295.09741	1.2
307.19098	8.9
310.12039	1.3
325.20239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36610	2.5
56.95934	3.4
68.07041	2.5
71.01402	13.4
79.38418	2.6
82.49098	2.9
83.05042	4.1
84.49521	2.5
87.17435	2.7
90.86575	2.7
97.06544	3.2
98.24621	3.1
99.46621	2.8
127.07665	24.7
129.10880	3.0
139.07626	4.5
143.50984	2.8
153.09222	12.2
163.11188	3.3
167.44719	3.1
171.10286	13.6
181.01329	3.2
185.11827	27.2
194.60626	3.0
197.11908	22.4
209.11852	80.0
238.12117	6.4
256.13098	4.6
289.18079	15.3
307.19211	100.0
325.20267	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14293	0.7
72.99323	1.6
90.62844	0.8
96.48077	0.8
97.02944	0.8
113.09698	1.3
116.15034	0.7
116.53416	0.7
125.06129	0.9
137.09689	1.2
141.09212	5.0
151.11304	3.1
153.12917	1.5
154.09973	0.8
155.10852	0.8
197.11784	1.5
199.13431	3.8
209.11728	0.8
210.12727	0.9
213.80666	0.9
220.18100	0.7
227.12891	4.6
229.14519	1.1
251.20206	1.3
256.13150	1.5
261.18564	6.4
279.19653	13.5
307.19150	4.6
325.20251	100.0
326.20883	0.9
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
51.06040	1.5
51.82128	1.5
59.01390	7.0
59.20676	1.6
62.09734	1.8
62.20962	1.8
63.66129	1.4
66.97675	1.6
80.02679	2.1
82.10072	1.9
83.05002	3.2
84.02171	1.8
92.10114	2.0
109.06589	2.3
115.07652	9.7
125.09720	2.4
135.08151	2.2
137.09706	2.8
149.74089	1.6
155.10777	10.8
163.11324	8.0
165.12872	4.3
171.10234	2.1
178.10001	8.6
181.12352	2.7
209.11856	98.2
227.13036	2.1
263.20200	1.7
279.19736	2.0
307.19183	100.0
325.20236	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	325.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80140	1.1
59.01382	3.3
59.13937	1.1
60.98589	1.1
67.39495	1.1
80.16262	1.2
87.98923	1.3
92.10168	2.9
121.02976	1.4
134.03737	1.4
175.13853	1.3
223.17055	1.6
225.05499	2.2
239.10835	2.0
254.05864	97.5
255.06355	2.2
263.10754	2.3
267.10266	6.7
269.08191	2.5
276.08069	3.2
277.08536	2.8
278.09430	15.9
281.11795	2.1
291.10269	11.0
293.11871	30.1
295.09787	16.9
309.11371	15.9
310.12158	84.7
325.14499	100.0
325.23615	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	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
59.01392	100.0
59.18985	0.6
71.01389	10.0
73.02961	3.0
73.64966	0.6
80.46250	0.5
83.01408	2.2
85.02967	3.6
87.00864	0.6
89.02457	2.6
99.00821	1.0
99.93179	0.6
101.02442	11.8
113.02452	3.9
159.02998	0.8
161.04588	6.1
163.33859	0.6
265.12936	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87227	0.4
58.73348	0.4
59.01382	100.0
59.66509	0.5
60.00866	0.4
65.27037	0.5
71.01377	8.3
73.02943	3.0
83.01402	0.9
85.02941	4.6
89.02452	3.1
99.00883	0.8
101.02440	9.2
113.02463	3.5
130.28703	0.5
130.47920	0.5
161.04564	6.3
206.18086	0.6
216.57890	0.5
265.12943	19.0
274.76196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.23766	8.1
58.37372	7.5
59.01392	58.4
59.02267	6.9
61.98830	9.9
75.81394	8.7
83.05055	10.9
127.07609	12.4
144.00983	9.0
149.47594	8.0
163.11191	10.9
171.10332	17.0
185.11813	15.7
189.93900	8.3
197.11784	9.6
209.11841	97.1
212.52165	9.3
221.11855	10.3
223.13379	8.6
243.75067	10.8
264.63596	9.0
289.18118	68.7
293.52847	9.5
293.67691	8.0
307.19241	91.6
325.20273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
54.83355	4.8
59.01393	20.4
59.88511	3.8
60.38706	3.9
83.05033	10.8
89.16489	4.3
93.57437	4.5
97.06607	8.4
115.07644	10.7
119.16418	4.4
125.09728	5.3
127.07668	7.0
151.11337	7.7
155.10759	8.7
163.11252	7.9
165.12962	5.5
171.10321	7.4
178.10075	11.6
197.11777	8.2
209.11848	100.0
215.12869	9.4
229.14520	6.2
307.19196	88.1
325.20438	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	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
56.65809	7.9
59.01383	20.3
63.99266	7.9
64.34656	7.6
65.88603	8.1
73.02994	8.3
82.91168	8.1
83.37811	7.9
92.10132	8.7
127.07646	36.6
139.11285	73.9
149.12042	12.4
155.10767	10.8
183.10344	13.5
185.11815	15.3
191.79678	10.3
201.11371	38.0
209.11890	97.0
215.12978	94.1
229.14494	9.0
245.19582	10.1
292.99203	9.4
307.19168	100.0
325.20432	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65121	0.7
57.03459	1.3
58.00599	10.4
59.01408	1.0
61.16744	0.6
71.01395	1.0
71.05016	0.7
72.05688	0.9
72.99298	0.7
73.02950	1.0
77.23699	0.5
83.05034	0.9
84.02169	2.8
95.05038	1.7
97.06593	1.7
113.06126	0.9
115.07648	1.6
121.71111	0.7
127.07654	3.6
146.03743	3.2
151.11270	5.2
153.12856	9.7
154.41383	0.7
155.00299	0.7
155.10797	0.9
155.14403	1.6
165.12715	1.0
169.12312	3.4
173.02756	0.8
181.12306	3.9
182.75734	0.7
183.13884	3.0
189.31253	0.7
197.11833	9.4
199.13417	43.6
202.26494	0.7
209.11823	7.1
215.12868	8.3
227.12912	100.0
229.14461	20.6
245.18965	0.8
263.20084	1.2
279.19589	2.8
281.21274	1.5
289.18042	4.1
295.09650	0.8
297.20700	1.3
307.19241	10.9
325.20242	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.47938	0.7
59.01383	6.3
61.53567	0.6
68.44266	0.7
71.01389	0.8
71.05038	0.7
72.80050	0.6
73.02938	1.5
80.02695	1.7
81.03458	1.3
83.05032	9.3
83.19287	0.6
84.02174	1.8
92.10705	0.8
95.05039	1.1
97.06602	1.8
103.76153	0.7
112.05289	1.3
115.07635	11.0
125.09719	4.4
127.11293	1.3
135.08141	1.3
135.58838	0.7
137.09717	3.7
147.93512	1.0
155.10786	12.8
163.11304	9.6
165.12863	5.0
178.10040	9.4
179.10782	1.0
181.12372	1.3
191.10664	1.4
207.10205	1.2
209.11861	100.0
210.12277	0.7
236.10582	1.8
245.19077	1.1
265.18280	0.9
279.19516	1.3
289.18127	4.7
298.07355	1.0
307.19208	95.1
308.19495	1.1
325.20135	5.3
325.23959	3.3
342.68204	0.8
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
54.50698	0.8
65.37183	0.8
69.31201	0.9
71.01399	2.1
80.02663	2.0
81.03471	2.0
83.05038	7.2
84.02181	4.1
92.10771	1.4
93.53168	0.8
99.08199	1.2
109.06644	0.9
111.08195	1.1
114.39291	0.8
119.73188	1.1
121.21552	1.1
125.09708	1.5
127.07648	6.2
139.07668	1.3
163.11324	7.6
165.12851	4.2
181.12413	1.0
185.11858	5.3
191.10817	1.5
197.11850	9.4
209.11859	100.0
227.12894	5.7
238.12114	3.9
245.19153	1.2
256.13147	1.4
263.09634	1.1
289.18207	1.3
307.19199	39.8
325.20239	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	325.093
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.87411	0.2
55.75834	0.2
60.97253	0.3
61.58794	0.3
64.34764	0.3
73.39594	0.3
75.12868	0.3
79.75802	0.3
80.88239	0.3
86.47528	0.3
90.48156	0.3
92.10172	0.3
93.03468	0.3
96.57381	0.3
104.54267	0.2
112.44486	0.3
119.05022	100.0
153.11758	0.3
163.04015	48.8
164.04410	0.3
172.89496	0.3
247.48645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
51.19127	0.5
56.57976	0.4
59.01374	9.1
59.01612	0.5
59.18472	0.5
66.48232	0.5
71.01386	3.4
72.99290	0.5
84.62646	0.5
85.02975	0.7
89.02454	2.6
101.02420	0.8
113.02438	1.3
117.03455	29.6
119.03522	0.9
119.05016	21.3
128.90216	0.6
131.04996	3.1
132.05786	1.1
133.06602	5.4
145.02953	100.0
146.03352	0.8
158.03683	1.0
159.04501	7.3
161.06073	5.6
163.03983	7.9
166.66902	0.6
177.05574	0.9
187.04007	26.1
201.05574	0.6
205.05054	2.7
235.06284	0.5
265.07074	0.7
325.09265	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	325.1143
Annotation	H disaccharide
Peak:m/z	Relative Intensity
55.01905	2.2
56.00413	1.4
57.03452	57.5
57.37280	2.1
59.01382	67.6
62.70695	1.5
66.41576	1.4
66.70305	1.5
69.86481	1.5
71.01378	27.2
72.99316	3.1
73.02940	15.2
74.45130	1.5
75.03366	1.6
78.86243	1.6
78.95908	2.7
83.01406	2.6
85.02979	3.9
89.02451	20.8
95.23563	1.7
96.96013	16.1
96.96996	3.2
97.03004	2.0
99.00876	2.3
99.04521	46.6
101.02448	52.5
106.72220	1.7
109.03094	1.7
112.98881	2.2
113.02498	3.5
115.00378	9.8
115.03999	2.0
117.01945	13.2
119.02431	2.6
119.03488	2.5
125.02423	9.5
131.03520	7.5
133.01442	9.8
133.05118	3.4
161.04547	25.0
163.06154	31.1
181.07196	100.0
205.07327	3.8
223.08229	13.1
263.77271	1.7
325.11438	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01384	3.5
59.05877	0.5
61.50771	0.6
74.09818	0.6
82.05318	0.6
91.21630	0.6
95.04992	1.3
97.06568	1.0
109.06526	0.7
123.04523	0.8
123.08176	1.3
125.09711	5.0
127.07661	0.9
163.11302	3.8
165.09216	1.3
174.73311	0.7
177.12820	1.6
181.12357	1.5
197.11748	8.0
207.10172	1.2
221.11833	5.0
234.89178	0.7
239.12958	3.7
247.20711	1.4
291.19638	11.8
305.21194	1.3
307.19391	0.8
308.19949	9.1
323.22299	100.0
324.22714	1.0
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
59.01390	44.9
72.02339	8.1
82.56414	8.1
83.11221	8.2
92.10183	9.9
97.06634	10.7
125.06098	44.9
125.47053	8.5
126.06899	11.4
177.64888	9.3
253.14468	13.7
254.15314	19.6
269.21274	58.7
291.19568	16.7
305.21338	14.0
323.22330	100.0
347.37674	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	325.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
71.01379	24.2
71.16797	0.3
72.99304	5.8
87.00905	1.6
89.02431	4.2
92.66045	0.4
100.76007	0.3
115.00368	64.8
115.81789	0.4
133.01427	100.0
147.44325	0.4
156.61560	0.4
160.69310	0.4
277.83121	0.4
336.52219	0.4
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	CHEBI:76092
Peak:m/z	Relative Intensity
57.03474	3.4
59.01381	38.3
61.38769	3.4
68.03055	3.6
71.01382	6.4
77.88966	3.8
89.02434	6.4
92.10038	6.5
93.21079	3.4
96.96927	4.3
101.02440	4.2
117.03388	27.9
119.05020	89.2
133.06596	9.0
145.02956	100.0
161.06097	19.2
163.04022	66.1
179.03435	6.6
205.05028	31.7
235.06091	17.4
265.07242	41.8
325.09293	6.5
334.15881	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	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11222	0.2
69.06487	0.2
92.10078	0.3
93.03473	0.3
98.08870	0.2
117.03484	0.3
119.05028	100.0
120.05379	0.4
143.59470	0.2
145.02960	1.2
163.04021	47.5
164.04381	0.3
187.03998	1.2
282.31531	0.3
324.60587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1868
Annotation	Hynapene A
Peak:m/z	Relative Intensity
56.77836	2.0
57.03449	22.1
58.00620	2.5
59.01387	3.1
61.30186	2.2
68.40540	2.9
69.03460	11.6
72.99314	5.4
73.02946	27.7
80.02696	3.9
81.03459	2.6
82.05138	2.4
83.05018	23.7
83.65470	2.8
95.04999	24.7
97.06581	3.7
107.04987	3.7
108.61968	2.6
109.02924	3.0
109.06583	10.8
111.08161	13.3
120.47852	2.6
121.06615	3.7
123.04525	5.6
123.08155	14.6
125.09743	4.6
135.08157	10.6
139.11270	3.1
149.09764	5.8
151.11308	5.5
153.09224	10.8
153.12874	2.9
161.09729	12.5
163.11305	6.2
167.10767	11.6
169.12291	2.7
179.10793	27.0
181.12320	5.6
183.10194	4.1
197.11838	13.8
211.09770	4.1
225.11354	64.5
227.12860	11.7
259.17044	4.2
261.51605	2.9
277.18097	11.1
291.19583	3.3
295.19156	4.2
305.17572	22.8
323.18683	100.0
323.22470	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
56.59416	0.6
57.03451	1.5
57.50078	0.6
59.01395	4.8
59.70051	0.7
69.66031	0.7
73.11031	0.7
92.10891	0.8
107.05033	1.7
108.76452	0.7
111.08141	1.5
123.08147	1.3
125.09793	0.9
141.09178	1.1
148.22722	0.8
165.12851	9.4
165.29420	0.8
167.10844	0.9
181.12280	3.3
191.14330	1.0
193.12292	1.0
193.32785	0.8
217.16011	1.8
247.20641	5.0
273.18625	4.7
291.19678	100.0
308.19937	4.1
323.22299	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03451	1.1
59.01384	1.6
59.83540	0.8
61.74496	0.9
71.05028	1.2
80.02701	2.0
81.03461	1.9
83.05042	6.9
84.02176	1.9
93.16821	1.0
95.05035	2.3
97.02967	1.6
97.06574	2.4
102.61501	1.2
107.05017	13.0
109.06615	1.9
111.00894	1.5
125.02486	1.6
125.06091	5.3
125.09702	9.6
135.08174	6.1
151.07671	2.0
153.09212	16.5
163.11253	9.0
165.12944	3.8
169.76009	1.1
171.10313	4.3
176.08469	2.3
178.09984	1.9
181.12302	1.5
185.11761	1.3
191.10793	2.0
197.11835	10.6
207.10330	7.4
208.51384	1.0
209.11842	100.0
225.11378	7.6
236.10617	1.1
243.17494	1.8
245.15479	1.1
254.11632	4.4
261.18579	6.2
279.19662	4.1
287.16513	9.8
305.17599	74.0
323.18671	7.8
348.03946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.1
59.01378	4.1
64.34528	1.6
69.03461	3.0
81.03461	6.9
83.05019	20.2
95.05037	3.3
97.02951	4.5
106.04240	2.0
111.08163	3.8
119.19387	1.6
123.08159	3.3
137.09714	18.8
139.07629	2.4
149.06180	2.9
149.09729	2.9
151.07649	3.6
155.10831	3.8
161.09805	1.8
161.72780	2.3
163.11273	3.7
167.10773	2.0
171.10228	7.7
179.10779	10.1
181.12274	3.2
195.10278	33.9
199.08453	2.1
221.48448	1.8
225.11293	7.8
243.17477	3.0
259.17020	4.5
277.17981	3.1
280.20218	2.2
296.57690	2.0
305.17734	21.6
323.18661	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.22884	0.7
57.53065	0.7
58.00582	1.1
58.59641	0.9
59.01388	100.0
70.13584	0.7
71.01386	39.0
71.01780	1.5
72.99331	1.4
83.01402	3.1
85.02935	8.7
87.00904	0.9
89.02444	37.7
90.59276	0.8
95.01396	1.8
96.96013	1.5
101.02436	24.7
113.02447	16.3
119.03495	15.1
136.44992	0.7
179.05652	1.2
268.07919	0.9
316.03760	1.0
323.13513	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92618	0.5
52.05608	0.6
52.27668	0.6
53.25379	0.6
53.65656	0.5
55.01880	1.1
57.03453	4.4
59.01382	100.0
66.71500	0.7
71.01385	12.9
73.02948	3.9
78.95922	0.9
83.01386	1.3
85.02959	5.7
89.02447	10.3
95.01396	1.2
99.04520	4.6
101.02433	16.9
113.02445	6.6
119.03476	4.7
149.04568	0.8
161.04552	10.2
179.05617	1.4
263.11368	21.8
323.13489	11.9
330.98575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.6
59.01388	19.8
59.46502	1.9
69.03462	2.4
76.58247	1.9
77.28843	1.9
80.02670	4.8
81.03465	10.4
83.05054	9.5
84.34437	1.7
91.05552	8.2
92.10046	2.6
97.02964	8.2
97.06586	100.0
97.07204	3.9
100.62100	1.8
106.04227	4.4
108.84392	1.8
109.06597	91.8
110.03737	3.8
110.17518	1.7
111.11556	1.9
114.56166	1.9
117.07133	13.6
119.05049	9.2
120.05841	1.8
121.06586	4.4
123.08161	4.9
125.09725	48.4
135.08157	47.4
136.05424	2.8
142.02686	2.6
161.06113	26.4
161.09799	3.8
163.11307	35.9
181.12340	13.6
185.11819	2.7
207.10306	91.8
209.11786	2.3
217.15967	2.6
225.11327	64.9
226.12292	2.1
243.17415	3.7
261.14969	3.8
269.15604	3.2
277.18192	3.9
279.13260	2.7
279.16046	50.6
287.16510	31.5
305.17612	80.0
323.18573	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	323.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95550	1.4
57.03456	70.4
57.69677	1.5
59.01388	100.0
66.40482	1.4
69.03448	1.9
71.01385	53.2
73.02956	20.7
73.87312	1.4
78.95892	3.3
83.01397	8.5
85.02972	7.9
89.02451	58.4
92.10209	1.7
95.01405	2.9
99.00893	2.9
99.04521	70.0
101.02443	46.3
113.02457	17.1
117.01946	24.2
119.03482	3.0
123.04518	8.3
125.02424	9.9
131.03516	3.4
143.03481	3.6
149.04529	2.0
155.67570	1.6
157.53055	1.8
161.04567	95.0
179.05698	14.1
233.06688	4.0
263.07941	2.1
323.09964	3.3
323.13336	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	323.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03452	14.3
57.09849	0.4
59.01383	28.9
60.77125	0.5
65.58178	0.4
71.01384	14.4
72.99294	1.6
73.02943	66.3
78.95903	15.5
81.03489	0.5
83.01383	1.2
85.02966	2.9
87.00889	0.6
87.04539	0.6
87.90118	0.4
89.02446	14.5
95.01409	0.8
96.96959	6.9
99.00866	7.6
99.04514	15.5
99.92607	2.1
101.02444	11.5
110.02472	0.7
111.00910	0.5
111.02022	2.7
113.02463	6.4
116.92854	14.0
117.01936	100.0
119.03492	3.0
123.04510	1.2
125.02409	2.3
129.84818	0.5
143.03468	2.7
161.04552	18.5
179.05597	4.4
185.60471	0.5
211.00087	0.6
233.06712	0.9
323.02997	3.8
323.09735	4.3
323.13504	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	323.0287
Annotation	Uridine monophosphate (UMP)
Peak:m/z	Relative Intensity
52.55707	0.3
54.82247	0.4
57.03454	4.2
57.11438	0.3
59.01379	6.9
71.01369	3.6
72.99310	0.4
73.02950	0.4
78.68861	0.4
78.95897	100.0
83.01401	0.4
84.34883	0.4
85.02961	0.6
89.02434	4.2
95.16913	0.4
96.96951	49.2
99.04501	4.4
101.02419	3.5
108.76117	0.4
110.02458	0.6
111.00855	2.6
111.02001	15.3
113.02427	0.9
118.28332	0.4
137.44415	0.4
138.98010	4.7
143.03484	0.5
150.98001	3.1
161.04526	4.5
168.99115	0.5
179.05556	0.9
186.10333	0.4
192.24414	0.4
192.98976	0.9
195.35463	0.4
211.00133	6.1
263.05804	0.7
280.02283	2.8
323.02884	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85417	0.2
54.43840	0.3
55.01880	0.4
57.03453	11.0
59.01382	18.7
71.01379	10.5
72.99316	0.5
73.02943	64.3
75.38663	0.3
78.95903	3.5
83.01411	1.3
85.02969	0.8
87.00858	0.4
87.04476	0.4
89.02441	8.2
89.87029	0.3
89.87581	0.3
90.57002	0.3
95.01379	0.4
96.96942	2.8
99.00871	8.8
99.04518	11.2
99.92591	0.8
100.38423	0.3
101.02441	8.9
111.02038	0.6
113.02427	3.8
116.92860	7.0
117.01939	100.0
119.03468	1.6
123.04540	1.4
125.02422	1.8
129.01938	0.5
131.03528	0.6
137.79970	0.4
142.46738	0.4
143.03490	1.3
154.83585	0.4
161.04556	12.3
178.75452	0.3
179.05621	3.1
233.06709	0.5
246.12987	0.4
323.03052	0.6
323.09741	2.3
323.13519	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	321.2073
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
59.01382	100.0
62.90656	0.4
65.80592	0.4
68.22412	0.4
77.54609	0.4
86.27435	0.4
86.75286	0.4
87.16877	0.4
103.03992	0.8
117.31487	0.4
141.01707	0.6
243.10068	0.5
277.17990	0.7
321.20755	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2436
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
54.71023	0.6
54.79313	0.7
55.33681	0.5
59.01378	5.1
84.78910	0.6
104.98700	0.7
126.17038	0.7
136.61913	0.7
136.62886	0.8
163.03479	0.7
174.39857	0.7
223.20644	10.8
267.19684	6.7
285.20767	25.0
292.11823	0.7
321.24377	100.0
322.24521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0935
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01886	1.0
55.05225	0.6
55.19692	0.6
57.03469	1.2
58.00603	0.9
58.28131	0.7
59.01391	100.0
71.01387	44.2
72.99325	3.7
73.02937	0.9
83.01417	3.0
85.02962	11.5
87.00888	1.4
89.02446	40.9
92.10162	1.5
95.01383	3.2
101.02435	20.1
113.02451	17.0
116.05062	37.4
119.03501	13.0
131.03532	1.1
143.03589	1.1
144.04517	1.7
160.04050	40.2
163.19893	0.8
179.05624	1.9
184.15672	0.8
189.35100	0.9
202.05133	23.5
232.06079	3.9
262.07211	27.6
322.09335	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01534	0.6
56.44145	0.7
63.30258	0.9
66.03696	0.7
92.10158	1.6
92.10682	2.1
110.02494	5.1
124.04028	1.4
136.68787	0.9
140.07181	100.0
153.04303	10.6
154.08740	12.9
167.05920	3.4
182.08238	29.3
182.09775	1.0
200.09335	4.9
203.55043	0.9
222.66992	0.9
284.01346	1.0
302.12552	3.7
320.13486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.4
55.47918	2.2
57.03465	80.3
59.01387	100.0
63.59594	2.0
71.01385	40.4
73.02962	20.9
81.03472	3.9
83.01398	30.1
85.02956	19.3
87.00893	3.4
89.02461	15.7
96.96003	4.2
97.02947	2.7
99.00865	10.1
99.04520	60.0
100.67091	2.3
101.02452	18.4
111.00883	58.9
111.04496	2.6
113.02448	21.7
117.01926	18.8
118.85600	2.5
125.02464	22.4
127.04003	10.2
128.03510	2.5
129.01941	90.6
129.02827	4.8
141.01952	32.7
147.02985	46.4
171.03004	10.6
177.04045	88.6
189.04065	5.6
211.06166	2.6
219.05130	43.7
259.08176	4.5
321.08270	25.8
321.11942	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	321.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76992	5.0
52.08852	5.9
59.01376	100.0
59.01597	6.2
87.79179	5.2
92.10732	5.9
93.39606	5.2
96.37309	5.4
257.70129	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	319.2279
Annotation	19S-HETE
Peak:m/z	Relative Intensity
50.65284	1.1
50.82388	1.0
57.03456	6.6
59.01392	7.9
59.20149	1.0
64.89381	1.1
77.50088	1.2
97.06615	1.6
113.09722	30.3
139.11293	8.1
165.80943	1.3
186.36101	1.3
221.15523	2.8
265.73083	1.5
275.23795	2.2
319.22827	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	319.228
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.95777	1.4
59.01405	4.2
71.98187	1.7
85.13903	1.7
95.80350	1.9
112.33225	2.1
124.35976	1.8
136.88167	1.7
211.76210	2.1
319.22812	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	319.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95777	1.4
59.01405	4.2
71.98187	1.7
85.13903	1.7
95.80350	1.9
112.33225	2.1
124.35976	1.8
136.88167	1.7
211.76210	2.1
319.22812	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	320.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62826	1.1
57.03458	1.7
58.00601	1.4
59.01383	100.0
61.98845	2.2
71.01381	53.1
72.99301	7.1
73.02957	1.2
79.51871	1.4
80.59869	1.3
82.83876	1.2
83.01375	1.4
85.02946	13.2
87.00917	1.5
89.02441	59.8
92.78818	1.3
95.01376	2.6
96.96014	1.5
101.02441	20.9
110.02470	26.2
113.02447	21.2
114.05601	27.7
116.92997	1.2
117.86005	1.3
119.03493	21.7
123.51359	1.3
128.03500	3.4
130.08745	10.6
140.07170	17.0
143.03505	2.1
145.00841	1.7
153.04315	5.9
154.08752	5.4
156.06628	1.5
161.04507	1.7
179.05630	11.1
182.08162	15.2
197.64366	1.3
200.09312	6.4
240.05138	2.9
302.12573	1.6
305.17343	2.7
320.13577	1.5
320.19913	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	319.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27682	0.4
59.01385	2.3
69.03465	0.6
69.15020	0.5
69.77021	0.6
70.01846	0.5
71.01376	10.0
71.53772	0.4
73.02962	0.8
73.17304	0.5
73.51135	0.4
84.95953	0.5
92.94196	0.5
92.94836	0.5
97.02979	0.8
101.97096	0.5
135.87277	0.5
149.82591	0.5
150.16582	0.5
150.75110	0.5
165.12935	0.7
174.99438	0.5
183.13876	7.7
185.11835	34.6
193.12282	1.1
211.13416	100.0
229.12212	1.1
229.14456	25.0
241.14511	3.6
259.15439	0.8
265.14563	2.3
283.15549	0.7
319.17468	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	319.2281
Annotation	19S-HETE
Peak:m/z	Relative Intensity
54.82215	0.4
58.72383	0.5
59.01364	0.4
61.98838	0.4
62.16484	0.4
63.09726	0.4
66.24583	0.5
74.87046	0.4
82.63313	0.5
161.55006	0.5
212.21413	0.5
292.46915	0.6
319.22809	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	317.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	7.4
61.98845	1.5
71.32493	1.2
83.04999	1.3
87.44360	1.3
104.44548	1.2
105.93874	1.3
119.72783	1.4
141.09210	1.9
148.08995	1.9
163.11311	8.9
165.12900	12.2
191.14436	5.7
241.75751	1.3
245.19206	1.7
273.22299	13.6
299.20291	1.6
317.21249	100.0
318.21725	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	319.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42992	6.1
55.62804	5.7
59.01389	76.2
59.06675	9.1
68.41804	6.8
70.90042	6.3
71.01379	73.0
72.99336	13.0
75.00867	81.0
81.03442	7.1
85.02945	9.6
87.00906	41.7
92.10789	15.1
93.03487	38.9
97.06584	8.0
109.02996	15.3
111.04526	38.1
111.08132	8.1
115.00397	56.3
119.05039	64.0
123.04504	9.2
125.06052	8.4
135.03006	100.0
137.02414	12.6
142.99915	14.0
143.36325	7.3
151.03938	15.8
153.05568	8.9
155.03587	8.5
163.04019	12.5
165.05530	14.6
169.05182	14.0
175.02504	72.8
201.11470	9.5
227.05606	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	319.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
104.16045	0.3
109.02927	0.5
114.39759	0.4
136.01642	0.9
151.03986	0.5
167.05075	0.6
169.06589	0.7
171.04459	0.9
184.24350	0.5
185.06088	7.7
195.04553	5.7
196.05275	0.8
197.06085	3.8
199.04031	0.5
211.04045	1.5
212.04842	4.0
213.05606	38.9
219.21642	0.4
223.04041	7.0
224.04846	5.1
234.40410	0.4
239.03433	0.6
240.04301	2.7
241.05096	100.0
242.05453	0.7
243.26511	0.4
256.07452	53.0
260.26556	0.4
262.82385	0.4
271.09790	67.1
300.76770	0.4
312.11203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07460	0.6
59.01384	100.0
60.99327	1.0
61.11942	0.6
61.98840	3.3
66.25411	0.9
78.37041	0.6
81.23354	0.7
82.57963	0.6
88.98798	9.8
89.02461	0.7
94.54853	0.7
103.95032	0.7
140.79869	0.7
161.02463	2.9
183.10262	7.9
237.05817	0.9
245.88370	0.7
281.04837	1.8
299.01840	2.7
317.16174	1.0
317.19705	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	317.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71718	0.7
55.01891	1.2
57.03452	1.1
59.01386	6.6
66.55795	0.8
71.01397	1.8
71.05035	4.7
74.26956	0.8
75.64791	0.8
83.05046	1.2
89.02477	0.9
91.04044	1.7
97.02946	6.3
97.06599	5.5
99.00881	38.4
110.03690	1.4
123.08182	1.8
125.09722	17.1
135.08163	1.0
155.14407	1.1
163.11301	12.4
181.12352	28.9
185.01563	1.0
197.11845	2.1
199.13435	39.5
207.10295	50.7
225.11353	100.0
243.12381	68.0
317.16071	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12919	0.2
55.07910	0.3
59.01392	100.0
65.01078	0.3
70.01668	0.3
76.46941	0.3
92.10738	0.4
104.00355	0.4
119.73605	0.3
164.04875	0.4
168.38242	0.3
183.10269	6.8
217.97272	0.3
269.08206	0.4
317.10294	3.2
319.60220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43530	1.2
58.86375	1.5
59.01393	3.9
59.54151	1.4
60.48247	1.7
64.91843	1.7
68.38515	1.4
69.12955	1.5
80.36169	1.6
83.91116	1.5
119.66042	1.5
260.13098	1.8
317.21255	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	317.1032
Annotation	Paeonilactone C
Peak:m/z	Relative Intensity
50.87780	0.3
55.15750	0.5
55.70014	0.4
60.50609	0.4
81.03481	0.9
89.67675	0.5
92.10814	1.1
106.00545	0.5
108.02161	7.2
109.02980	7.6
121.02945	3.0
122.02883	0.9
122.03729	18.4
123.04538	4.5
124.01645	9.1
134.03755	2.1
135.04514	9.3
136.01668	0.9
136.05302	3.8
137.02458	3.2
137.06085	11.9
149.06129	0.5
149.99565	1.9
150.00749	0.4
150.03232	5.8
153.01929	2.9
154.02740	4.2
162.83911	0.5
168.00648	2.1
174.31552	0.5
179.03523	4.7
180.04243	4.2
212.03275	15.9
241.08910	0.9
254.22879	0.5
273.09036	0.5
273.11337	27.9
317.10327	100.0
318.10818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
59.12022	2.2
63.11772	2.0
64.26487	2.5
85.15597	3.0
101.09082	2.3
106.06630	100.0
116.05036	2.3
118.01897	2.6
134.06053	2.5
137.49449	2.5
138.05630	19.2
140.07173	14.5
150.05611	5.6
152.03546	62.3
158.09845	3.3
166.05121	16.4
167.05879	96.1
170.09766	3.4
186.12874	16.0
201.07912	13.4
212.10709	2.9
215.09564	10.4
225.06760	3.4
226.07538	3.2
230.11845	30.5
239.08299	2.9
240.08980	3.6
255.11426	40.7
273.12473	41.6
274.10779	10.4
299.10303	6.0
317.11426	55.4
334.49509	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1396
Annotation	Zearalenone
Peak:m/z	Relative Intensity
57.73426	0.6
59.01379	1.1
71.09542	0.6
73.79389	0.6
76.73524	0.6
86.53172	0.5
92.10092	1.2
108.02215	0.9
119.05031	12.2
121.02946	13.4
122.03765	1.5
136.01648	10.6
136.05312	1.2
137.02463	3.7
147.04507	8.1
149.06059	0.9
151.03990	8.0
153.01950	11.1
154.02724	7.0
162.03206	1.1
164.04774	2.9
165.01903	4.1
165.05566	30.3
166.06329	8.8
167.03529	1.0
168.04260	2.5
179.03508	17.4
180.04282	13.2
181.05034	3.4
181.08740	1.1
196.18640	0.6
197.04562	0.7
198.05374	8.2
225.05540	0.8
254.05865	2.9
269.08032	0.8
272.06845	3.3
287.09244	6.0
301.10876	0.7
302.11575	19.1
317.13971	100.0
318.14389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25082	3.5
50.68784	3.5
56.40819	4.5
59.01395	24.6
63.34861	3.5
71.64075	4.4
74.32436	3.9
78.87023	4.0
85.40788	4.0
87.99506	3.8
121.81715	4.4
125.09726	7.2
130.05208	3.7
176.15189	3.9
181.66888	4.4
219.17535	17.7
250.62367	4.5
259.16919	5.3
281.17633	100.0
315.17123	5.6
317.21201	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	315.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04923	2.6
59.01389	19.7
59.89419	2.8
63.24023	2.8
73.79305	2.7
75.65884	2.8
80.02371	2.8
85.06593	3.2
92.10815	6.9
119.05050	3.8
125.09736	4.2
138.86899	3.1
163.03915	3.5
171.10242	12.9
183.13893	3.5
198.18723	2.7
199.67464	3.0
209.40178	3.0
211.13409	42.3
229.14531	22.1
315.18103	3.5
315.21786	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	317.1032
Annotation	Protofarrerol
Peak:m/z	Relative Intensity
59.01385	4.3
65.13742	0.6
69.76321	0.7
91.17580	0.8
92.10088	1.4
93.03448	6.3
95.01648	0.7
107.05008	3.4
108.02190	0.8
109.02961	1.1
119.05005	3.1
121.02959	16.2
123.04520	10.5
134.03754	16.4
135.04535	14.9
137.02457	3.8
145.02979	1.4
147.04529	7.4
149.06079	6.3
152.04756	0.9
163.04013	4.1
164.04811	9.3
165.05576	9.5
167.07123	1.1
177.05574	4.7
180.04242	0.8
181.05058	1.1
193.05005	1.1
194.07382	0.8
202.55714	0.8
209.06113	1.5
210.06956	1.1
211.07593	1.1
223.07585	3.7
225.09213	1.5
226.06413	1.2
228.45386	0.9
235.07710	0.9
239.07121	3.8
240.08035	7.4
241.08716	7.2
251.06996	3.0
252.07903	1.3
255.10460	0.9
263.07147	0.8
269.08228	24.3
281.08240	4.7
287.09308	12.7
299.09268	17.0
315.08969	0.9
317.10333	100.0
318.11038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1241
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
59.33824	0.5
84.31606	0.5
84.61186	0.5
85.36058	0.5
90.66241	0.5
91.40010	0.5
93.03489	1.0
108.02166	0.8
121.02950	19.2
121.06584	1.3
123.04488	2.3
135.04510	3.4
146.67496	0.6
147.04483	5.1
149.06078	3.3
159.04538	0.9
161.06143	1.3
179.07176	3.6
181.06618	0.9
183.08189	1.1
185.06107	2.9
189.10664	0.7
191.07143	0.7
192.18823	0.6
196.05275	1.2
199.07675	3.0
209.06091	4.8
211.03964	1.2
211.07651	2.8
212.04852	5.0
213.05618	1.4
225.05600	0.9
227.07169	11.0
237.05568	6.5
238.06317	3.8
239.07208	1.0
240.04323	10.2
241.05020	3.5
251.07100	1.3
253.08728	0.8
254.05847	1.4
255.06647	37.8
256.07407	1.2
269.08224	23.8
270.08795	2.6
271.09778	1.1
282.08987	0.8
283.07077	0.8
283.09735	6.9
284.10541	1.0
299.09293	13.5
300.10065	93.0
301.10437	0.9
315.12415	100.0
329.37332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82909	0.3
56.07583	0.2
59.01381	100.0
68.91659	0.2
72.05420	0.3
79.56989	0.2
147.52939	0.3
186.65388	0.2
192.90889	0.3
204.39545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16504	0.8
53.45734	0.8
57.03444	0.9
59.01381	17.5
65.81354	0.8
71.01375	9.3
75.00875	6.4
80.02695	3.9
81.03477	6.3
83.01434	1.1
83.05013	10.5
84.02174	2.2
87.00882	1.9
92.10085	1.6
93.03442	0.9
95.05045	2.0
97.02960	6.0
99.00855	1.5
101.06516	1.1
103.89676	0.9
107.05049	1.1
108.02187	1.2
109.02961	3.6
109.06588	37.2
110.03770	1.7
111.00900	1.2
121.06548	1.8
125.09684	1.9
135.08159	6.4
148.88441	1.2
161.06017	1.4
161.09726	1.3
163.11281	27.7
165.12860	2.3
178.63528	1.0
181.12372	9.9
185.11824	1.6
196.84465	0.9
197.35112	0.9
207.10281	54.5
209.11861	100.0
217.12318	1.0
219.10167	1.1
221.11884	1.4
225.11340	72.2
227.12920	21.3
237.11418	1.7
244.48186	1.0
255.06680	1.3
266.05637	2.0
269.21054	1.2
270.05518	1.4
279.12445	6.9
297.07721	1.1
300.10052	4.1
315.12357	7.4
315.18137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1966
Annotation	Jatrowedione
Peak:m/z	Relative Intensity
53.85683	0.2
54.82716	0.3
58.88540	0.3
59.01381	2.5
66.87737	0.3
97.06580	3.7
100.56174	0.3
157.06458	0.4
159.08148	4.7
201.09177	0.3
201.25484	0.3
216.38161	0.3
227.10771	1.8
241.12407	1.5
255.23235	0.4
257.15488	98.9
258.15811	1.3
297.18600	5.2
299.16562	13.8
315.19699	100.0
316.20062	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	315.1968
Annotation	Jatrowedione
Peak:m/z	Relative Intensity
52.77530	0.2
54.82594	0.2
59.01384	2.3
62.82140	0.2
88.63812	0.2
97.06571	0.4
101.18378	0.2
131.05031	0.4
136.21014	0.2
143.05005	0.4
145.06674	0.4
156.05836	1.1
157.06584	4.3
159.08194	1.3
169.06572	1.6
195.47151	0.2
197.09683	0.3
199.07561	0.4
201.12885	3.5
223.31500	0.2
225.12845	4.3
241.12402	1.0
255.23227	0.4
257.15491	70.0
258.15863	0.5
260.53766	0.3
287.19986	0.3
292.20767	0.2
297.15475	0.4
297.18616	9.5
299.16571	8.0
315.19711	100.0
316.20035	1.3
331.09268	0.2
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	Unknow
Peak:m/z	Relative Intensity
51.78883	0.9
59.01385	100.0
71.01387	7.0
73.02931	1.5
76.57343	1.3
83.89765	1.2
85.02943	2.7
93.03447	15.6
101.02437	3.0
113.02465	1.6
143.11949	1.8
161.04590	11.7
167.29921	1.2
217.00117	1.7
232.97621	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	315.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76003	0.5
51.10287	0.5
55.11051	0.6
59.01387	2.7
103.85107	0.7
108.39326	0.6
136.01717	1.0
138.08029	0.6
149.34526	0.6
162.03166	1.4
163.04021	58.0
164.04797	15.7
178.06313	0.7
179.03542	0.8
194.04665	0.6
196.03792	76.6
210.05411	6.3
270.05389	11.2
285.07712	8.4
297.18555	1.3
300.10086	4.5
315.12424	100.0
316.12802	1.1
317.50955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58086	0.4
59.01393	3.5
63.43116	0.4
70.59566	0.4
78.10249	0.4
78.82445	0.4
107.05061	0.7
107.11076	0.4
109.02979	0.9
109.79558	0.5
121.02946	0.5
127.35229	0.4
130.94089	0.4
134.03738	0.8
135.04515	0.8
148.05264	1.8
149.06085	9.0
149.13449	0.5
154.84309	0.5
162.03212	2.2
163.04012	68.8
164.04799	15.1
179.03500	0.8
181.01530	0.5
183.06270	0.5
196.03784	100.0
197.04018	0.8
210.05367	0.5
219.11122	0.4
223.02786	1.0
247.82645	0.4
253.05016	0.5
268.07211	0.6
269.04544	0.6
270.05322	13.8
283.09763	2.0
285.07733	8.0
300.10043	12.7
315.12411	52.7
315.21753	2.8
315.34656	0.5
316.12592	0.5
327.02914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0513
Annotation	Crombeone
Peak:m/z	Relative Intensity
53.39175	0.8
55.50537	0.9
59.01380	12.1
62.44036	1.0
63.02402	1.5
65.00329	8.0
76.66602	1.0
83.01385	2.0
86.55374	1.0
93.03439	4.2
102.71471	1.1
107.01396	12.3
119.05023	100.0
133.03044	1.0
134.03693	1.0
135.04515	4.8
137.02480	2.1
144.77150	1.3
150.03273	8.6
151.00383	25.7
162.03265	4.9
163.04015	91.7
169.72643	1.1
177.17461	1.1
182.02226	2.4
201.16469	1.2
226.94952	1.2
233.05609	1.1
239.06990	1.2
255.06700	1.8
285.07733	4.9
297.07611	4.3
315.05072	12.9
315.08807	24.8
315.12375	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	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.72815	0.5
58.10592	0.6
59.01395	4.5
61.98843	1.2
71.01385	3.3
72.99295	0.8
81.03482	1.0
85.02977	1.2
89.02456	0.6
90.74355	0.5
95.01399	0.8
96.96021	1.5
98.60903	0.6
101.02456	1.0
108.02181	100.0
109.02962	38.5
109.03545	0.8
113.02451	0.7
115.09449	0.6
117.93664	0.5
121.34925	0.6
123.00844	0.8
123.04536	0.7
134.03786	0.8
135.04517	1.3
152.01164	54.4
152.91766	0.7
153.01942	28.8
154.24806	0.7
165.01956	0.7
174.18196	0.6
279.10837	1.3
315.07251	52.5
316.07349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0879
Annotation	7-O-Methylpeltogynol
Peak:m/z	Relative Intensity
56.24208	0.4
56.89300	0.4
58.14481	0.4
59.01380	5.4
64.33979	0.5
71.53790	0.5
90.39260	0.4
91.21499	0.5
92.10824	0.9
93.03462	1.9
107.05034	1.0
108.02179	52.8
109.02972	1.0
119.05037	7.3
121.02951	1.1
122.03741	4.2
123.04523	22.1
127.04019	0.9
133.02980	0.6
134.03723	0.9
135.04504	4.6
136.01701	0.7
137.02437	2.9
147.04553	0.9
149.02397	2.1
150.02019	0.8
150.03232	34.1
151.03979	3.1
162.03229	20.1
163.04013	93.5
164.04222	0.5
165.01944	2.2
176.01167	1.0
176.04735	1.0
177.01868	0.8
178.02730	1.1
179.03502	5.5
182.02235	14.9
191.03513	49.3
195.02994	2.7
196.03807	0.9
212.03288	0.8
254.05847	4.5
257.04599	0.8
257.08038	0.8
267.06668	2.8
269.08167	4.2
271.05243	0.7
282.05441	0.7
285.07706	18.2
297.04410	0.6
297.07718	17.1
310.95663	0.5
315.08792	100.0
316.08990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	Taxicatin
Peak:m/z	Relative Intensity
55.81923	0.3
59.01382	3.4
65.01089	0.3
71.01376	0.4
81.23759	0.3
89.02479	0.3
95.05020	0.5
95.12695	0.4
122.03745	0.5
123.04520	100.0
135.04510	0.7
153.05583	87.2
189.49794	0.4
216.98346	0.4
217.00278	0.6
221.26642	0.4
232.97412	0.6
233.83698	0.3
255.23285	0.6
315.07416	0.5
315.10818	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	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.09904	0.3
54.15015	0.3
59.01389	4.7
71.05014	2.5
75.61552	0.4
75.86099	0.4
76.57999	0.3
83.05039	0.6
88.04498	0.4
113.09748	2.5
125.09738	1.9
127.11263	2.9
141.12874	2.2
151.11316	0.5
155.14436	0.8
171.10291	3.7
183.13841	0.7
203.62816	0.4
249.22461	0.5
251.23802	1.6
293.21246	2.2
295.22775	3.7
311.22412	0.7
313.23886	100.0
314.24350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.50105	0.5
57.03469	0.5
59.01391	12.3
91.02228	0.9
115.78863	0.6
218.47574	0.6
223.20720	0.8
249.22163	2.6
251.23808	97.6
252.24208	0.7
269.24841	2.4
277.18253	0.6
295.22809	37.3
304.88498	0.6
313.23874	100.0
314.24387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.70927	0.3
59.01387	100.0
73.78890	0.4
74.43449	0.4
86.56133	0.5
106.86870	0.5
114.53181	0.6
118.86364	0.5
225.22281	2.5
234.30550	0.6
253.21672	7.3
263.31247	0.6
271.22791	56.1
313.16907	0.7
313.23880	18.9
313.27573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01132	0.6
59.01387	5.1
59.66247	0.5
62.38368	0.6
78.95907	1.2
79.17186	0.6
79.95732	1.2
89.28002	0.6
90.97132	3.4
92.10737	1.4
96.96006	100.0
99.49257	0.6
113.69901	0.6
113.92665	0.7
114.93434	0.6
130.08739	7.7
132.98201	3.8
152.99580	1.2
160.97682	1.2
172.09760	4.3
197.36366	0.6
213.79387	0.7
234.74487	0.7
244.05070	6.8
246.06592	8.3
270.06628	17.8
288.07361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.0
60.01716	0.4
61.01808	0.5
61.98830	100.0
62.46395	0.3
71.01397	0.3
78.32606	0.3
83.80080	0.4
91.72607	0.3
95.18137	0.3
96.95986	0.5
108.02188	8.2
109.02958	8.1
125.17935	0.3
140.04735	0.3
140.90359	0.3
144.66580	0.3
152.01164	4.5
153.01956	5.4
156.18864	0.3
158.19232	0.3
256.96106	0.4
312.72668	0.3
315.07288	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	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26114	3.1
52.34109	3.4
55.93623	3.2
57.03476	2.9
59.01383	63.7
65.00329	4.7
83.05020	6.1
83.58711	3.0
109.75625	3.6
115.07648	28.0
117.03475	18.4
121.02921	3.8
127.07635	7.8
149.02505	5.2
151.00386	6.3
159.04501	3.7
163.11313	8.5
185.11865	48.3
197.11815	36.7
209.11874	100.0
225.05676	4.8
227.12851	8.2
241.18195	7.1
269.04620	44.7
269.13077	5.6
277.18164	6.2
295.19235	13.8
313.03659	17.9
313.20209	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79338	1.9
57.03468	2.1
58.19157	1.7
59.01386	23.7
71.01383	2.3
73.02959	3.7
76.58588	2.0
83.05032	2.3
83.32125	2.2
95.96015	2.0
99.08144	2.3
100.51942	2.2
101.06113	2.8
113.06055	14.7
115.07642	57.9
117.03479	4.1
125.09708	2.5
125.59586	2.4
127.07639	20.1
139.14175	2.4
141.09248	16.6
149.02388	2.1
151.11316	2.3
171.10307	21.5
182.01398	2.3
185.11829	86.2
197.09744	15.8
197.11845	71.9
199.11215	3.1
209.11996	6.5
233.19014	2.3
269.04657	12.8
277.18210	21.5
295.16779	14.3
295.19641	39.1
313.03690	4.4
313.06982	3.8
313.20264	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	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.3
66.69106	1.3
67.69923	1.1
69.76839	1.1
101.06071	2.0
113.06070	2.6
114.06834	1.8
114.76643	1.3
117.58537	1.2
118.67997	1.3
127.45549	1.1
134.03761	2.6
137.02417	4.8
149.06155	1.6
153.12816	1.9
183.13924	1.3
199.13445	1.4
212.13948	1.3
253.09116	1.9
255.06657	1.8
265.04974	2.0
267.19659	28.6
269.04672	4.3
283.06186	8.3
298.08429	5.1
313.03452	1.7
313.10828	7.4
313.20236	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.35808	1.0
52.47041	1.0
54.82248	0.9
59.01384	100.0
89.38570	1.1
104.09381	1.2
137.85329	1.1
150.97739	1.3
225.22285	2.1
226.68390	1.5
253.21794	6.5
271.22830	49.2
313.23886	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	313.1812
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
57.03442	0.3
59.01402	0.7
59.75254	0.3
66.85240	0.3
85.06615	1.3
89.61049	0.3
90.44068	0.3
97.06606	0.6
118.57708	0.3
143.04985	0.3
145.06592	0.4
157.06589	55.7
159.08145	6.6
169.06567	0.3
170.07372	0.5
197.09676	2.6
199.07686	0.4
199.11345	2.8
201.09247	1.2
225.09132	0.3
234.79285	0.3
240.11534	0.4
255.13922	33.3
283.90601	0.3
295.17007	5.0
297.15009	6.6
313.18130	100.0
314.18387	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	313.1812
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
57.48374	0.7
59.01389	10.3
64.35007	0.6
74.99080	3.4
85.06585	73.1
91.02195	9.9
93.00156	6.5
105.87107	0.8
109.19719	0.7
115.98719	0.8
122.08457	0.8
157.06580	33.1
158.14886	0.8
169.06584	26.4
170.07356	11.2
185.06120	5.1
191.89275	0.8
192.63437	0.9
212.08417	3.2
213.09207	3.4
228.11507	1.5
237.12932	1.6
255.13905	39.8
297.14957	5.9
313.18127	100.0
314.18610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1811
Annotation	Triptobenzene N
Peak:m/z	Relative Intensity
51.18119	1.6
54.82843	1.8
58.03822	1.8
59.01382	20.9
63.86232	1.7
65.53014	2.0
72.92174	1.9
79.99209	1.7
82.37329	2.1
85.06584	1.9
86.13908	1.7
97.06562	1.8
121.03030	2.9
149.00653	2.2
159.71230	1.9
185.09724	54.9
185.11314	3.8
187.11261	4.3
197.09766	16.0
199.11288	2.3
269.04706	3.1
283.17053	45.5
285.18567	3.1
295.17004	26.1
313.14743	4.6
313.18103	100.0
322.27429	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	313.1083
Annotation	Matteucinol
Peak:m/z	Relative Intensity
54.82739	1.5
59.01393	28.2
72.21083	1.6
84.79365	1.4
88.26803	1.5
92.10790	3.1
103.48634	1.4
109.02961	1.6
134.03745	23.6
137.02444	45.2
145.02939	8.1
147.04533	1.7
149.06099	9.9
162.03285	2.9
174.03241	2.0
209.05998	3.4
227.07161	2.4
237.05597	11.4
240.04433	3.2
254.05920	3.2
255.06682	11.9
264.38699	1.7
265.05054	24.8
266.05911	3.0
268.03827	7.5
269.04367	3.0
279.06598	1.8
282.05493	13.4
283.06128	93.2
297.07700	11.2
298.08527	43.2
313.10883	100.0
313.20282	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	313.1446
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
54.23320	0.3
64.34779	0.3
78.40209	0.3
80.04819	0.3
108.02181	4.4
114.27267	0.3
119.05026	0.6
121.02935	5.3
122.03738	24.8
123.04515	5.4
124.01672	1.2
131.01476	0.3
133.06549	0.3
135.04506	0.4
136.05283	8.6
137.02464	2.2
137.06090	0.5
148.05324	5.3
149.06084	7.8
154.02739	2.8
159.08093	0.3
161.06004	0.5
162.06850	5.5
164.04787	3.4
174.06857	1.3
175.07642	6.2
176.08420	4.8
177.09212	12.2
178.57608	0.4
189.09216	0.7
190.06380	3.9
191.07117	0.6
193.05096	0.3
207.40697	0.3
208.07440	0.7
266.09570	0.5
281.11908	0.7
285.84354	0.3
313.14499	100.0
314.14749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18119	1.6
54.82843	1.8
58.03822	1.8
59.01382	20.9
63.86232	1.7
65.53014	2.0
72.92174	1.9
79.99209	1.7
82.37329	2.1
85.06584	1.9
86.13908	1.7
97.06562	1.8
121.03030	2.9
149.00653	2.2
159.71230	1.9
185.09724	54.9
185.11314	3.8
187.11261	4.3
197.09766	16.0
199.11288	2.3
269.04706	3.1
283.17053	45.5
285.18567	3.1
295.17004	26.1
313.14743	4.6
313.18103	100.0
322.27429	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	313.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
60.99307	18.3
71.01372	5.8
71.90257	0.5
73.72137	0.5
75.00867	0.6
78.95908	0.7
85.02953	3.0
88.98798	100.0
89.02429	2.5
96.95987	0.5
101.02465	0.7
111.00879	0.9
115.00377	7.0
129.01901	0.7
133.01418	12.6
156.89487	10.9
223.04625	1.9
253.09264	3.1
305.11053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Sylpin
Peak:m/z	Relative Intensity
51.28759	0.2
52.43731	0.2
58.36598	0.2
59.01392	1.9
60.90880	0.2
77.04002	0.2
107.78580	0.2
117.03460	0.3
121.02940	100.0
122.03275	0.3
180.05827	1.0
181.06586	4.9
225.05608	5.0
227.79771	0.3
313.03683	0.6
313.07214	11.4
313.17523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70608	0.2
55.01885	1.3
57.03457	0.5
59.01385	7.4
71.01384	10.2
73.02937	3.3
73.03223	0.2
75.00896	0.4
83.01389	1.2
85.02971	5.5
89.02480	0.4
93.05211	0.3
95.01382	1.1
95.55184	0.3
96.96025	1.3
99.00864	0.6
101.02453	5.3
106.04221	0.4
107.05038	100.0
108.05361	0.6
113.02453	4.3
133.06645	2.3
151.04031	3.2
151.07616	1.1
159.03032	0.6
161.04593	5.3
205.08791	0.5
212.26704	0.3
260.34982	0.3
313.09299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0932
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
54.46427	3.2
54.82249	2.8
55.01912	4.1
59.01385	48.6
60.95087	2.8
71.01385	35.5
72.66528	2.9
73.02959	6.1
75.00870	4.0
77.47113	2.8
83.01398	3.9
83.48140	2.7
85.02950	24.6
89.02456	4.6
101.02437	25.5
106.04290	4.1
107.05030	100.0
113.02442	16.4
115.80261	3.3
135.02921	4.0
151.03990	49.0
160.84224	21.4
161.04570	12.4
175.87555	3.3
211.04919	3.7
236.16786	3.2
253.09274	4.9
277.92041	5.6
282.02765	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	313.0933
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
52.61478	0.7
55.01898	3.3
57.03456	1.2
59.01392	65.5
63.20835	0.8
71.01390	31.4
71.01779	1.2
71.69408	0.6
72.99326	1.3
73.02975	3.3
75.00887	1.5
83.01402	1.6
85.02958	8.9
89.02445	19.6
92.10764	1.6
95.01384	1.7
99.00864	0.9
101.02437	13.9
107.05035	100.0
113.02462	13.4
118.30360	1.0
119.03492	7.3
151.04025	5.0
159.03029	0.9
161.04581	5.1
179.05725	0.8
196.00919	0.7
205.08575	0.7
223.21307	0.7
253.09337	0.9
265.10797	0.9
303.14059	0.7
313.09363	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	313.1083
Annotation	7-Hydroxy-2,3,4,6-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01384	27.5
61.98832	7.3
71.01385	0.8
78.95883	1.0
136.01674	1.3
152.65680	0.8
197.06068	1.9
211.03867	1.1
221.05902	0.9
223.72292	0.8
225.05609	6.2
239.07208	1.7
240.04196	1.2
241.04979	1.3
253.05026	8.5
253.09090	1.2
254.05859	74.1
267.06635	23.7
268.04327	1.0
268.07388	11.2
269.08255	1.3
270.05344	1.6
270.08856	0.8
281.08002	2.4
283.06079	1.1
286.04749	1.7
297.07587	4.1
298.05121	1.5
298.08490	38.1
299.09146	1.0
300.06628	1.5
313.10855	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95023	0.7
55.26191	0.7
56.46166	0.8
57.03456	2.1
58.06727	0.9
59.01384	1.3
59.98752	1.0
65.80545	0.9
80.53387	0.9
92.10769	1.3
99.08141	3.9
113.09721	6.6
116.60685	0.9
118.34063	1.0
129.09212	7.2
141.78136	0.9
155.10747	1.2
159.33980	0.9
164.50905	0.9
167.10806	1.3
169.12347	4.1
181.12325	6.0
183.13902	4.1
193.12288	1.3
197.11887	10.1
199.13414	5.4
211.13409	25.7
275.20233	1.3
293.21277	21.2
311.22324	100.0
312.22525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17628	0.5
90.88145	0.5
113.09721	1.0
115.07639	0.8
128.08432	0.6
164.41231	0.6
167.14406	5.1
183.13914	3.5
195.13914	13.0
211.13487	1.0
213.15080	0.9
265.21753	0.8
283.22791	0.6
293.21237	9.6
311.22324	100.0
312.22906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27251	0.5
58.21330	0.6
65.31075	0.6
67.60979	0.7
75.25493	0.6
77.66544	0.7
92.10810	0.6
118.95471	0.5
127.11332	1.3
129.09215	1.1
134.69885	0.6
153.12834	5.3
169.12335	2.9
181.12372	14.5
184.57484	0.6
197.11790	0.8
199.13419	4.2
223.32832	0.7
257.36401	0.7
265.21652	1.1
293.21283	7.5
311.12909	8.8
311.22318	100.0
312.22641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	20.8
64.20489	1.0
69.03476	1.1
70.26334	1.0
86.90462	1.0
109.06570	2.2
109.54093	0.9
127.07653	10.8
146.03738	7.0
175.07654	13.5
179.14441	1.2
183.12361	1.7
183.13911	39.8
195.13863	4.5
213.15085	10.6
223.13470	4.0
237.90059	1.0
241.14395	7.7
275.20160	1.5
293.21344	6.5
297.66397	1.1
311.22314	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	312.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24715	0.1
61.98834	100.0
66.57713	0.1
68.21113	0.1
68.55803	0.1
71.69073	0.1
76.67028	0.1
79.60197	0.1
120.00993	0.2
124.19641	0.2
206.47011	0.2
208.00060	0.1
245.69766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0357
Annotation	Desmoxyphyllin A
Peak:m/z	Relative Intensity
59.01382	7.1
63.02399	2.6
65.00323	7.9
71.01371	0.7
76.57294	0.5
77.50647	0.6
83.01384	4.1
84.72939	0.6
93.03459	1.1
101.59175	0.6
105.03462	1.1
107.01385	14.8
117.03456	46.1
121.02945	3.8
140.97771	0.6
149.02440	15.9
151.00366	21.9
157.51517	0.6
159.04547	5.3
169.06549	0.7
180.05791	1.2
181.06609	3.0
183.04506	3.3
185.02409	1.0
197.06146	0.9
201.05498	4.5
224.04643	0.7
225.05548	8.7
227.03514	3.8
268.07736	0.7
269.04565	100.0
270.04984	0.7
283.09799	5.7
298.12042	3.0
313.03595	56.7
313.14444	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86555	0.4
59.01381	0.6
71.05025	4.8
83.05066	1.1
83.31544	0.5
86.02255	0.5
111.08138	0.6
121.50478	0.5
125.09721	2.4
127.11298	2.4
165.12778	0.9
171.10272	5.9
183.13885	1.2
185.36150	0.5
209.11865	2.6
227.12885	1.1
243.16077	0.9
249.22292	0.8
263.94534	0.6
291.19781	1.0
293.21307	4.6
311.22318	100.0
312.22543	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.9
59.01385	4.6
65.63030	1.1
66.33372	1.1
92.10680	1.7
99.08149	4.8
111.08186	1.6
113.09751	5.5
129.09235	7.1
139.11313	2.2
171.10284	6.1
175.51941	1.3
181.12347	2.1
183.13942	5.0
193.12379	4.6
197.11859	9.9
199.13530	1.7
211.13452	19.8
281.08282	1.4
293.21280	13.4
296.10565	1.4
311.12836	4.8
311.22345	100.0
311.80569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36544	0.4
71.05030	0.6
94.87369	0.5
97.06622	0.9
125.09719	3.1
139.11282	3.3
151.11311	0.6
163.11313	7.3
164.12059	0.7
167.10773	0.7
167.14418	0.6
168.11549	2.7
179.14465	0.5
182.13176	1.3
249.22299	7.9
263.98953	0.5
293.21268	100.0
294.21600	1.1
311.22327	95.3
312.22543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.4
66.57398	0.8
70.32195	1.0
74.14158	0.9
88.38368	0.9
92.62463	1.0
99.08165	2.3
110.72790	0.9
113.09717	5.5
125.09721	1.3
125.46687	1.0
129.09238	6.0
139.11320	1.3
144.77139	1.0
151.11363	1.8
169.12379	2.3
171.10263	7.8
179.03096	1.0
181.12381	4.3
183.13890	2.2
193.12347	4.3
197.11887	12.7
199.13412	6.0
211.13441	21.3
261.88129	1.2
275.20139	1.8
293.21289	24.9
311.22324	100.0
312.22446	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	311.1292
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
57.34425	0.4
59.01389	2.6
66.21433	0.4
75.85267	0.4
76.51826	0.4
90.37984	0.4
107.05046	2.6
112.09167	0.4
112.56432	0.5
129.09219	0.6
133.02957	0.7
134.03722	0.6
135.04533	2.6
148.05310	1.6
149.06059	1.8
153.12866	1.8
161.06067	0.7
164.04807	2.2
169.12407	0.8
174.06906	0.4
175.07652	9.6
176.08459	5.3
180.04318	0.8
181.12352	3.6
190.06311	0.9
191.41483	0.4
197.11807	0.6
246.68251	0.4
252.86980	0.5
256.13480	0.4
267.22687	0.6
278.09497	0.5
281.11691	0.5
283.10190	0.5
283.22507	0.5
293.11880	0.6
293.21246	2.4
311.12949	100.0
311.22327	29.5
312.13330	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1655
Annotation	Broussonin C
Peak:m/z	Relative Intensity
59.01396	5.5
67.16043	0.5
68.10760	0.5
85.06597	1.1
86.56464	0.5
97.06567	0.6
97.42498	0.6
97.43220	0.5
109.02967	3.0
118.62331	0.7
148.05315	2.4
149.06078	2.8
160.05357	0.5
163.07666	0.6
163.39052	0.5
170.07347	0.7
183.08177	11.4
185.09724	80.4
187.11324	6.2
195.08141	3.0
197.09735	1.3
202.06354	2.2
211.11394	0.6
212.13818	0.9
213.13969	2.2
253.12260	0.9
265.16202	0.8
278.13144	2.8
281.15570	7.7
283.17068	36.8
293.15521	5.8
293.20343	5.0
309.15033	4.4
311.16577	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	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63501	0.3
54.83017	0.4
56.76364	0.3
59.01384	5.2
65.30534	0.3
71.83594	0.3
79.95763	2.1
88.60783	0.3
98.53488	0.3
98.95592	0.4
119.05029	2.6
134.27876	0.3
135.04532	0.6
155.43436	0.3
170.00467	2.4
183.01213	74.3
184.01947	3.0
197.02786	1.9
201.99413	0.4
211.04300	0.4
216.01057	1.6
225.05916	1.4
239.07643	0.4
311.16916	100.0
312.17413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	20.0
58.00887	0.7
59.01390	3.7
60.01978	0.5
70.56770	0.5
73.02955	2.1
82.04717	0.5
90.20687	0.5
97.06610	0.6
109.06614	3.0
126.06316	0.6
127.07642	7.9
131.47578	0.6
165.12704	0.6
183.13916	35.9
195.13928	2.5
211.13451	0.7
213.14981	11.4
223.13396	3.1
241.14449	7.3
275.20203	2.2
293.21231	9.5
311.22330	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	311.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98960	0.7
63.77477	0.7
69.14695	0.6
71.05024	1.3
71.47699	0.7
74.05104	0.7
81.62195	0.8
90.50127	0.8
93.03491	0.9
94.14043	0.8
104.85948	0.7
108.02195	1.1
109.02934	1.4
112.41399	0.9
121.02951	11.7
122.03732	1.3
123.04434	0.8
134.03723	15.7
135.04582	5.6
145.26205	0.8
149.06091	7.5
159.04556	3.7
159.05914	0.9
160.05309	1.5
161.06119	3.3
171.10284	1.6
172.58365	0.9
173.06058	3.6
174.06876	10.6
175.07668	6.5
187.07712	2.0
188.08450	3.9
231.49849	0.8
239.10785	1.1
251.10837	1.6
253.08731	1.5
264.07953	1.0
277.08768	3.5
278.09503	6.8
279.10291	13.2
281.08218	13.7
282.08783	0.9
293.21213	3.4
295.09756	17.3
296.10565	29.8
311.12949	100.0
311.22305	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37344	0.5
59.01385	3.1
63.23818	0.6
63.29465	0.6
70.40681	0.6
75.85360	0.6
86.91187	0.7
108.02180	0.7
109.02955	2.3
121.02952	8.4
122.03777	1.0
124.29537	0.6
134.03720	13.9
135.04546	8.2
145.02956	1.2
146.03793	1.2
147.04504	1.3
149.06093	9.6
159.04492	1.5
160.05310	1.2
161.06084	2.9
173.06015	2.5
174.06850	14.6
175.07620	6.1
187.07642	1.2
188.08443	3.3
211.13416	1.2
225.09241	1.4
235.07561	0.9
249.09238	1.1
251.10832	1.3
253.08698	3.5
263.07245	1.1
264.08087	0.8
267.10233	1.1
277.08682	3.6
278.09521	6.2
279.10303	12.8
280.10971	1.0
281.08218	16.5
293.21085	1.4
294.09003	1.1
295.09778	21.5
296.07010	0.8
296.10547	36.1
311.12933	100.0
311.22266	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.129
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
51.64706	1.0
54.03527	1.0
55.39889	1.0
58.69168	0.8
59.01384	12.4
59.56068	0.9
59.60693	1.0
61.72736	0.8
67.93210	0.9
70.47695	1.0
93.03475	2.2
93.32600	1.0
109.02947	9.5
121.02946	46.0
123.04580	1.7
131.05011	1.5
135.04521	2.3
147.04453	1.5
149.00922	1.2
159.04506	28.1
174.06879	1.4
181.10243	2.1
196.05206	2.0
209.05946	1.1
209.09741	1.8
211.04044	4.3
212.04805	6.8
225.09291	7.9
235.07635	9.3
237.09273	2.0
238.06374	2.4
240.04208	7.0
251.07161	1.7
252.07846	1.4
253.08740	17.0
261.31772	1.2
263.07153	11.8
264.07773	1.7
265.08643	1.1
279.06775	1.2
280.07385	2.3
281.08206	100.0
295.09561	2.3
296.10550	61.0
311.09259	2.2
311.12897	63.6
311.22025	2.4
324.75824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1289
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
50.96519	1.4
59.01384	13.4
65.85421	1.2
81.16290	1.1
82.04121	1.3
140.73358	1.2
209.05890	1.6
211.04036	1.7
224.04793	10.7
225.09225	8.1
227.07095	21.5
237.05554	1.9
237.09273	1.7
238.06250	2.4
240.04242	5.6
248.08411	2.4
249.05566	7.0
250.06390	1.3
251.07098	1.8
251.11009	2.1
252.07884	2.2
253.08688	15.4
255.06648	36.4
263.07166	1.8
264.07928	7.4
265.08710	44.1
266.09006	1.9
267.10272	6.2
268.11240	1.6
270.08911	6.7
278.09372	1.6
279.10257	19.3
280.11053	100.0
281.08551	2.7
281.11777	19.0
296.10562	6.2
311.09265	2.7
311.12900	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23409	3.0
54.90226	2.9
56.01076	3.5
59.01382	87.2
60.78040	3.4
71.01372	37.5
85.02952	7.8
89.02423	32.0
92.05067	13.9
97.28766	3.7
101.02420	14.5
113.02419	8.2
113.31496	3.3
118.02975	4.2
119.03516	8.2
120.04558	5.0
132.04550	20.1
144.04517	16.7
146.02492	59.8
147.03275	80.0
148.04033	16.6
160.04037	93.8
162.05569	3.6
172.04007	5.6
173.43927	3.6
174.05687	6.6
179.02237	22.2
196.85716	3.6
202.05124	26.9
214.05128	4.9
222.08904	3.9
224.94084	3.6
298.23267	4.0
310.09320	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	310.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98466	0.2
58.92765	0.2
61.98832	100.0
67.83984	0.2
74.66122	0.3
77.57001	0.2
107.92178	0.3
126.10616	0.2
162.26146	0.3
180.53758	0.3
269.16479	0.3
270.64838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37100	0.8
54.72449	0.7
54.82793	0.8
56.05057	1.0
57.03447	1.0
59.01383	100.0
68.60006	0.8
71.01386	1.3
72.99313	1.2
73.02957	0.8
73.61899	0.8
76.51782	1.0
76.69977	0.8
80.75046	0.9
85.02969	1.1
85.18140	0.8
87.00897	1.2
89.02466	2.1
93.03450	1.7
96.96050	1.2
99.02021	1.7
101.02514	1.3
111.00887	4.6
113.03606	0.9
115.05141	1.9
117.05621	0.9
117.06708	1.6
121.02946	37.9
122.03735	5.1
123.00906	2.3
130.99855	1.2
134.03813	1.2
135.03279	13.9
135.04379	1.6
136.05313	8.6
137.06099	1.7
150.05544	3.7
160.04047	1.2
161.04684	1.5
162.05609	1.3
163.04012	1.1
166.06252	1.2
168.04259	6.1
179.03517	1.4
189.06648	1.4
189.38220	0.9
191.01871	1.2
192.09045	17.2
200.40155	0.9
207.11404	18.3
247.43327	1.2
251.11501	1.5
257.61142	0.9
275.09674	4.1
311.12579	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	311.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15318	2.4
56.73677	2.7
59.01381	54.7
61.98838	15.6
66.40801	2.7
71.01379	25.0
72.12128	2.9
76.57294	2.7
87.44114	3.1
92.65718	3.3
95.05025	3.2
109.06617	6.1
135.04471	3.2
163.11252	7.3
164.04790	4.2
166.78270	3.4
171.10257	100.0
179.07114	7.6
207.10280	27.6
218.50467	3.7
225.11343	93.4
243.12375	3.4
245.49615	2.9
293.63364	3.0
296.06967	3.3
311.06076	3.1
311.09439	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	311.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15318	2.4
56.73677	2.7
59.01381	54.7
61.98838	15.6
66.40801	2.7
71.01379	25.0
72.12128	2.9
76.57294	2.7
87.44114	3.1
92.65718	3.3
95.05025	3.2
109.06617	6.1
135.04471	3.2
163.11252	7.3
164.04790	4.2
166.78270	3.4
171.10257	100.0
179.07114	7.6
207.10280	27.6
218.50467	3.7
225.11343	93.4
243.12375	3.4
245.49615	2.9
293.63364	3.0
296.06967	3.3
311.06076	3.1
311.09439	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53229	0.8
83.05041	0.9
94.31674	0.9
97.06615	0.9
99.92134	0.8
103.29030	0.9
111.08173	1.2
127.19138	0.8
141.98207	0.9
149.68481	1.0
183.13893	4.7
183.15599	0.9
199.86938	0.8
209.11880	1.5
209.15613	1.1
211.13440	1.2
213.81525	0.8
247.20714	9.8
263.20218	0.9
265.21747	25.4
291.19699	33.9
309.20755	100.0
310.20935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0935
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
53.17044	3.3
57.01844	3.3
59.01381	89.5
70.07814	3.3
71.01379	37.2
73.88322	3.6
78.97523	3.4
85.02946	14.4
89.02434	43.6
93.69471	3.7
101.02449	21.5
108.77757	4.2
113.02451	8.1
118.03021	7.8
119.03489	6.5
120.04556	8.6
126.15533	4.2
132.04581	22.0
134.06168	3.8
146.02463	82.5
147.03249	100.0
148.04080	26.4
149.03564	4.7
160.04045	76.1
165.88058	4.0
172.04074	6.2
174.05608	18.3
179.02185	28.8
202.05101	25.0
242.97806	4.2
253.15475	4.5
310.09378	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86848	0.5
57.03459	0.8
61.62793	0.6
64.75193	0.6
67.15195	0.6
69.03454	1.5
71.01406	0.7
71.05018	0.7
72.52604	0.5
81.03445	0.8
95.05020	0.7
97.06598	1.2
135.08228	0.7
137.09738	13.5
149.25368	0.6
162.09526	0.6
165.12848	6.7
171.10281	9.3
183.13924	7.2
195.41795	0.7
209.11824	7.7
211.13383	1.0
227.12918	20.9
263.16214	1.2
273.95511	0.6
278.82907	0.7
291.19717	6.3
309.20752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67884	0.7
55.69569	0.7
56.15216	0.9
57.03454	1.1
58.00585	0.9
59.01408	0.9
64.13364	0.8
64.34457	0.9
67.99863	0.7
69.03455	1.1
76.47867	0.8
79.05395	0.8
90.40501	0.8
109.06614	1.3
109.82497	0.9
111.08163	30.2
111.08881	1.8
154.83051	1.0
163.35094	0.9
169.12303	7.5
178.92932	0.9
181.12337	1.1
197.11836	100.0
199.13474	4.6
211.13388	11.7
227.12926	3.5
263.20126	5.7
265.18051	3.3
291.19687	16.9
309.20776	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	25.4
57.03670	1.6
59.01386	4.3
60.24918	1.6
62.65331	1.8
69.03465	9.0
71.01397	10.1
72.06289	1.9
77.73167	1.9
80.02697	2.5
81.57065	1.9
83.05031	4.7
92.10802	7.3
95.05021	4.2
96.96011	12.2
97.06614	8.8
111.08213	2.5
113.09714	17.6
113.81128	2.5
125.09734	2.9
149.09755	4.0
151.11310	29.6
163.11380	7.4
165.12856	24.5
167.10715	3.6
179.10806	9.3
179.27719	1.9
181.12329	54.0
191.10788	21.5
209.11853	100.0
211.13440	4.4
247.20699	10.0
263.20236	4.3
281.21103	3.0
291.19687	23.8
309.17410	14.3
309.20865	9.3
312.41800	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	4.8
57.13944	3.9
59.01395	8.2
60.75389	4.1
65.79343	4.5
71.05033	5.6
72.99314	68.1
76.35172	5.1
89.62902	5.0
96.96020	8.1
97.06584	5.9
100.75900	4.3
102.13003	5.7
102.80272	4.9
142.34935	5.3
151.04039	6.4
151.07628	5.4
152.08423	9.0
181.12326	11.3
185.05894	5.9
209.11867	5.6
216.06595	5.4
225.02673	22.0
291.19724	100.0
293.08856	52.7
295.64954	5.4
309.17203	33.6
309.20779	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42917	3.1
57.03457	28.8
59.01387	7.1
66.48299	3.2
69.03460	5.2
71.01394	5.1
83.05067	3.2
90.19351	3.3
95.05020	5.2
97.06660	3.9
106.83778	3.2
111.08167	4.5
113.09753	16.5
114.38492	3.3
134.46262	4.1
151.11305	43.9
154.40247	4.3
155.10814	3.4
156.07541	3.8
165.12885	33.0
166.20052	3.7
167.10841	4.4
179.10687	6.3
179.14482	4.2
181.12331	54.0
191.10797	21.3
209.11850	100.0
211.13428	7.0
215.66791	4.1
224.64630	3.4
241.62581	3.6
247.20853	4.4
263.20126	5.7
281.21268	13.3
291.19687	29.2
294.02631	3.5
309.17493	3.9
309.20789	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.5
74.92377	0.4
76.78742	0.4
95.05016	0.6
97.02971	0.5
97.06577	2.2
113.09740	2.5
115.07632	1.7
125.06042	1.7
126.06841	0.9
139.11276	0.8
140.55237	0.5
141.09251	1.9
151.11292	0.6
161.17323	0.5
165.12866	3.7
167.10832	0.5
167.14397	2.2
181.12370	3.7
183.13911	1.0
193.12389	1.6
195.13936	2.4
211.13452	5.7
213.14954	1.0
221.15501	2.0
229.14459	0.9
240.13622	3.1
247.20705	4.4
265.21817	0.8
273.18570	3.8
281.21332	1.9
291.19711	46.8
305.75412	0.4
309.20755	100.0
310.21143	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	Unknow
Peak:m/z	Relative Intensity
70.74166	1.0
75.60972	1.1
78.08192	1.0
109.06609	1.6
110.61070	1.4
111.08164	2.5
132.79779	1.2
132.97490	1.2
153.12891	8.2
155.10834	1.9
157.06218	1.3
167.10841	2.4
169.12309	1.3
181.12334	6.0
197.11801	5.3
199.13405	1.5
207.13780	1.6
215.12926	2.2
247.20605	6.7
273.18497	2.2
281.21298	1.8
291.19693	47.3
301.50333	1.3
309.20752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09462	1.3
52.35422	1.4
54.26157	1.5
54.43955	1.4
56.84698	1.5
57.03453	2.9
59.01396	1.7
64.84705	1.5
72.62569	1.7
80.02742	1.6
81.03486	2.2
81.17864	1.5
83.01397	10.3
83.05019	6.7
84.56391	2.0
92.10712	3.3
95.05034	1.8
97.06598	7.5
114.38856	1.9
123.04483	3.0
123.08201	3.8
123.69680	1.8
125.09726	19.0
139.11301	24.9
163.11304	10.0
165.12854	19.5
167.10744	8.6
169.56520	1.9
181.12364	8.1
191.10794	2.2
193.15979	3.3
209.11855	56.5
211.13309	2.5
247.20647	13.9
265.21701	3.7
273.18582	7.3
291.19690	100.0
309.20712	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.6
69.03477	1.2
91.97224	1.1
92.10720	2.5
97.02969	1.4
125.09713	1.7
163.11293	6.3
165.09271	1.2
165.12842	11.1
168.62422	1.2
179.14375	4.4
181.12273	2.1
193.16032	1.5
209.11681	1.5
209.15497	1.6
223.13353	1.8
247.20685	10.4
273.18466	2.0
291.19711	100.0
309.17624	2.7
309.20749	78.8
329.65125	1.1
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	Unknow
Peak:m/z	Relative Intensity
57.03479	0.8
58.00611	1.8
58.79911	1.0
59.01391	1.4
65.95295	0.8
76.57690	0.8
89.35077	0.9
97.06597	1.4
100.75918	0.9
106.06026	0.9
111.08160	24.6
127.07706	1.2
144.79758	0.9
151.11310	1.8
153.12775	1.1
169.12392	9.7
169.83170	0.9
177.57997	1.1
179.10423	1.0
181.12361	1.3
183.13855	2.0
193.12311	1.3
197.11848	100.0
199.13420	2.2
209.03366	0.9
211.13434	16.7
218.48874	1.0
227.12961	1.0
263.20200	9.4
265.17999	1.5
291.19711	18.6
309.20761	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58440	0.4
59.01385	0.9
64.34411	0.4
64.95879	0.4
76.12842	0.4
79.95738	11.1
79.96747	0.4
80.96511	2.0
91.05930	0.5
95.95236	3.6
96.96010	100.0
100.28024	0.4
104.67307	0.5
110.88528	0.5
122.97601	4.1
151.07635	0.9
152.08342	0.7
171.10219	0.5
209.15483	0.9
290.16904	0.5
291.19586	0.6
309.17456	87.3
310.17926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.83665	2.9
59.01396	8.8
59.92900	3.0
61.57825	3.1
61.98840	3.4
67.64645	3.5
71.41077	4.0
87.77068	3.5
101.86288	4.0
127.11281	4.9
129.09224	4.1
140.77734	4.0
151.04025	4.5
151.07634	6.4
152.08415	4.4
155.10840	6.6
179.14403	4.7
181.12413	4.3
189.30237	3.8
197.11732	4.3
209.15521	7.1
240.03992	4.4
247.20703	15.6
265.18216	4.9
291.19757	36.1
309.17151	20.3
309.20737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1499
Annotation	Myricarborin
Peak:m/z	Relative Intensity
59.01392	5.4
69.50605	1.4
71.76273	1.2
77.99121	1.5
79.95728	1.5
96.96008	29.7
96.96590	1.5
100.98866	1.3
151.07617	2.1
152.08362	2.1
209.11787	1.3
209.15498	2.6
215.20634	1.4
223.04095	2.0
238.06348	6.2
248.04755	2.1
249.05486	6.0
251.07262	5.1
251.10730	1.5
262.06299	3.2
263.07129	25.9
264.07904	10.0
277.08762	13.4
278.09494	10.0
279.10275	28.9
291.19757	2.6
293.08765	2.4
293.11893	41.9
294.12659	100.0
309.14584	52.4
309.17578	20.0
309.21017	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42291	0.2
59.01390	0.5
84.71397	0.4
106.56528	0.2
148.05304	50.5
149.06004	0.5
152.08488	0.4
165.05571	0.6
166.04282	0.3
179.01715	8.6
180.04279	100.0
181.04602	0.6
209.15524	0.4
247.49362	0.3
257.15643	0.5
265.21713	17.9
274.70383	0.3
297.77557	0.4
309.15149	4.7
309.20627	7.7
331.98035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09706	0.8
55.71162	0.8
59.01382	9.9
61.98847	3.4
71.01375	13.2
83.01405	1.2
84.40823	0.9
87.00874	15.2
87.68523	0.9
96.25042	1.0
99.00896	1.4
100.64793	0.9
104.09110	0.8
104.74877	0.9
107.45219	0.8
111.08167	1.7
115.00363	67.9
115.39105	1.0
117.01951	4.7
123.08125	0.9
132.58060	0.8
139.07600	1.4
141.09227	1.2
151.07661	4.9
155.07126	2.2
173.08247	1.0
175.02480	100.0
208.37083	0.9
208.39207	0.9
211.09749	3.8
213.07704	8.2
235.31540	1.0
273.09766	11.8
309.07391	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	309.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69078	0.7
59.01385	8.9
59.97327	0.7
61.98840	3.7
64.42685	0.8
67.21006	0.7
70.50700	0.7
71.05019	3.2
80.02690	4.9
80.91684	11.8
81.03480	1.9
83.05030	7.9
84.02169	11.1
86.67681	0.8
91.31467	0.8
95.05047	1.1
125.06073	0.8
125.09695	1.6
141.09169	1.1
153.12822	3.4
163.11295	9.2
165.12848	6.2
181.12372	1.5
191.10754	1.1
195.08824	0.9
203.10602	1.4
209.11859	100.0
219.10176	1.2
221.11607	5.3
223.11880	3.5
227.12917	14.1
231.10030	18.4
247.09633	1.7
249.11313	51.1
315.11194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33347	2.9
57.03445	7.1
59.01395	6.5
63.84829	3.2
64.34545	3.4
65.95548	3.3
69.44420	3.5
76.33400	3.0
78.71913	3.2
81.03477	8.0
83.01426	16.4
83.05038	8.0
95.05043	9.0
97.02961	7.0
97.06594	21.7
97.32355	3.8
109.06627	5.7
123.04498	25.6
123.08173	4.8
125.09717	45.2
135.08183	4.2
137.09750	25.0
149.09688	3.8
163.11343	27.4
165.12851	6.1
185.11807	27.2
191.10852	5.9
191.14510	29.1
207.10310	23.0
209.11856	83.5
225.11328	8.0
245.19089	62.3
271.16968	4.3
289.18109	100.0
307.19144	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39558	1.9
52.41068	1.7
57.03452	24.0
59.01390	12.8
66.99745	2.1
69.03469	4.2
71.01390	12.2
71.05012	2.2
83.05036	9.5
95.05026	5.4
97.06583	27.1
107.05015	2.6
109.06563	2.6
111.08146	19.0
123.04528	11.4
124.26948	2.3
125.09727	4.3
137.09683	2.6
145.10222	3.3
149.09724	3.6
151.11293	30.9
153.09195	4.2
153.12831	3.4
155.10793	9.0
163.11314	13.7
165.12833	37.2
167.10785	4.1
179.10780	12.1
181.12363	63.4
191.10718	20.0
191.14384	3.8
205.12329	2.8
209.11861	100.0
211.13405	11.6
245.19128	32.7
263.20074	3.9
271.16910	2.6
279.19690	3.7
289.18118	34.0
292.97379	2.5
307.19241	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.65857	0.7
64.34256	0.6
71.96732	0.7
83.40881	0.7
101.68213	0.6
114.39221	0.7
155.60677	0.7
165.52060	0.6
179.12633	0.6
194.72762	0.7
271.22913	1.0
307.22824	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	307.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87829	1.1
60.15753	1.2
64.34478	1.9
70.20999	1.3
75.51015	1.3
92.65572	1.5
117.55146	1.4
133.59464	1.6
137.39349	1.3
220.31305	1.5
235.80627	1.4
281.13638	1.3
307.26462	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	307.2644
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01387	5.4
68.95116	0.8
82.29967	0.9
82.53194	0.9
84.64104	0.9
90.43112	0.8
159.17790	0.9
176.31592	0.9
237.92734	1.1
271.24014	1.0
277.18210	0.9
278.91498	0.9
299.15039	0.9
307.26462	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90556	3.7
57.03467	7.1
58.73168	3.1
59.01398	5.5
64.55444	3.7
69.93960	3.1
75.50317	3.7
75.67810	3.1
77.77045	3.5
81.03463	13.8
83.01387	18.3
83.05036	5.0
92.10217	4.1
95.05032	5.8
97.02966	8.1
97.06564	14.1
123.04518	16.2
123.08186	7.3
125.09719	26.7
135.08180	4.6
137.09727	23.2
142.02818	4.0
149.06050	4.5
163.11333	28.7
185.11911	31.6
185.13228	3.6
187.77565	3.7
188.06779	4.8
191.10741	4.6
191.14378	21.2
207.10318	17.5
209.11842	77.1
211.13460	4.5
217.16032	4.4
225.11382	15.4
245.19083	68.1
271.16953	5.7
289.18121	100.0
307.19104	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55443	2.3
52.92535	2.5
57.03464	2.7
59.01392	5.6
61.73327	2.5
92.10155	4.4
97.02923	4.0
110.03748	2.8
121.06597	3.3
123.04498	13.7
125.09739	6.7
137.09686	4.6
141.12926	3.4
163.11317	16.6
167.08835	2.9
174.69095	2.9
179.10884	3.0
185.11852	15.8
191.14404	13.3
207.10248	15.9
225.11295	6.5
225.74020	2.9
235.44559	2.7
245.19070	38.6
289.18112	100.0
307.19199	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.99367	1.5
51.64666	1.8
56.16750	1.6
57.03456	2.8
57.95052	1.8
59.01400	3.5
60.15853	1.8
84.32324	1.8
92.10738	3.4
95.05029	1.8
95.06696	1.8
109.06594	2.8
111.08122	2.6
125.09718	4.1
127.07682	4.3
151.11295	3.3
153.09273	1.8
155.10770	9.3
163.11275	3.8
163.54494	2.0
173.27824	2.3
177.12881	2.3
181.12335	2.0
191.14468	7.9
197.11972	3.5
208.46461	2.3
245.19017	32.9
263.20163	8.1
271.16956	2.2
287.74149	1.9
289.18115	67.5
302.06412	2.2
307.19189	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	307.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28871	0.5
54.82502	0.7
59.01392	100.0
66.63089	0.7
66.92486	0.8
71.01396	3.5
83.57331	0.7
85.06626	1.3
88.98808	0.8
89.02448	3.5
89.85397	0.7
92.65363	1.0
113.02486	1.4
115.18532	0.7
124.11975	0.8
132.06880	1.5
161.10849	16.0
217.13420	3.1
219.15079	6.0
263.14093	1.1
276.11334	0.8
307.13635	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
71.05018	7.2
75.84388	0.7
80.02682	1.1
81.03476	3.0
83.05024	3.1
95.05043	1.6
98.03737	1.5
100.67470	0.7
106.04264	0.8
107.05064	0.8
109.06591	17.2
111.04517	10.2
112.05342	0.9
123.08180	1.7
127.07673	3.3
140.13556	0.7
143.10747	1.1
145.06573	1.0
149.06146	0.8
149.09698	0.9
151.11276	0.8
163.11340	0.8
179.10809	1.1
195.13896	4.5
235.13338	1.2
245.19101	7.4
251.16487	1.0
271.16876	2.6
287.16565	1.3
289.18127	100.0
290.18457	1.0
295.94818	0.8
307.19177	11.6
316.42450	0.8
316.67044	0.8
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	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.64011	4.9
57.03462	23.0
57.35913	5.0
59.01397	7.8
63.32319	4.3
65.74896	4.7
69.26126	4.7
71.01390	6.8
83.23256	4.6
95.05047	8.0
97.06602	32.4
110.49688	6.0
111.08132	19.8
114.28048	4.8
119.76499	5.4
125.09724	10.8
137.78546	5.1
149.09753	7.5
151.11293	40.3
151.32999	6.0
155.10777	10.7
163.11293	6.3
165.12854	34.2
177.12932	6.5
179.10782	8.1
181.12350	70.8
191.10812	28.1
191.14388	9.1
209.11841	100.0
211.13330	5.6
238.84708	4.9
245.19121	40.2
271.16989	6.5
271.22833	31.1
289.18204	38.7
307.19202	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66244	0.9
54.14662	0.8
54.37854	0.8
57.03456	2.4
59.01394	1.7
60.98049	0.8
62.45748	0.9
65.03986	2.2
69.03465	2.1
79.05543	1.1
80.02668	1.5
83.05050	5.6
93.03460	35.1
95.05032	1.0
97.06598	6.2
97.20034	1.0
105.07091	1.2
106.04253	5.5
107.05043	1.4
107.08652	1.4
109.06599	1.5
117.07111	24.8
119.05012	5.8
119.08669	29.4
120.05807	4.6
121.06528	1.2
123.08171	1.3
125.09715	14.7
127.11212	1.5
133.06599	9.1
135.08160	100.0
137.09709	1.6
151.53873	1.1
163.11307	1.3
169.22984	1.1
171.10271	72.1
185.11842	2.2
205.16034	1.1
209.11855	7.9
211.13477	3.7
227.18159	1.1
245.19069	1.5
249.15068	4.2
252.13666	1.5
279.19684	5.1
289.18091	62.2
307.19214	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	305.249
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01380	8.1
60.10985	0.4
70.82147	0.3
71.01372	0.5
102.33239	0.4
107.06969	0.3
108.59999	0.4
295.26187	0.4
297.75653	0.4
305.24890	100.0
306.25244	0.7
308.07129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88301	0.2
51.37517	0.2
52.57689	0.2
56.11994	0.2
59.50037	0.2
61.73396	0.2
61.98841	100.0
64.67551	0.3
88.19832	0.2
110.73037	0.3
121.05918	0.3
163.09778	0.3
166.86404	0.3
178.90143	0.3
181.55836	0.3
186.09460	0.2
241.30141	0.2
255.26636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39323	0.3
58.89644	0.3
59.01374	0.5
61.98833	100.0
84.88849	0.4
117.56726	0.4
121.53447	0.3
236.74266	0.3
243.12280	0.7
262.51852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.2
59.58558	0.8
70.98099	0.8
71.01384	4.5
72.99300	1.0
83.01406	1.7
85.02937	2.0
87.00913	1.0
89.02450	1.1
91.78429	0.8
99.00874	2.2
111.00854	1.2
112.98793	11.4
113.38821	0.9
113.99584	1.0
115.00374	1.4
130.04218	1.2
135.04536	4.6
139.07649	1.0
139.62013	1.0
142.99857	6.1
145.02904	1.1
153.05569	1.6
157.88889	0.9
158.03751	1.1
159.04544	10.6
167.07108	3.6
173.00922	6.4
174.01698	100.0
175.02492	1.9
179.03564	1.0
187.04034	12.1
193.05003	5.8
193.08778	0.9
194.57240	1.0
211.06110	1.5
271.08203	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	307.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46967	1.2
59.01392	6.6
61.98841	1.4
67.06361	1.2
71.01396	2.7
71.14128	1.2
79.24091	1.3
84.78812	1.1
85.06569	1.5
89.11742	1.4
94.42830	1.3
99.00895	2.4
103.58727	1.6
111.00907	1.8
111.08192	1.8
112.98811	15.6
115.00356	1.3
142.99876	8.5
149.06082	5.4
150.05591	1.7
153.05620	1.9
165.05638	1.7
167.07118	2.2
173.00943	10.0
174.01697	100.0
175.02399	1.6
193.05116	15.7
254.72829	1.5
271.08279	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	307.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48912	1.0
57.03459	99.9
59.01388	70.8
59.32182	1.2
64.73299	1.2
71.01411	6.8
73.02946	1.4
83.01409	2.6
83.99143	1.2
85.02971	2.4
89.02459	1.3
99.04511	66.9
101.02432	47.0
113.02455	12.2
125.02428	24.5
131.03502	2.3
163.06125	100.0
205.07220	10.3
245.10229	5.1
307.10355	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89185	0.8
51.03022	0.7
62.25232	0.7
74.99072	8.0
86.87219	0.9
91.02218	1.8
93.00136	5.1
95.69042	0.7
97.29290	0.8
109.13952	0.9
120.28850	0.7
149.00935	3.7
152.53880	0.9
159.08435	10.3
161.06415	3.3
165.79892	0.8
175.77922	0.9
206.99730	3.0
209.01274	4.3
217.07190	1.3
223.02852	61.5
241.03864	1.5
289.07504	2.1
290.66180	1.0
291.09122	100.0
307.12265	2.1
307.19080	1.3
309.10089	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	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38866	0.3
59.01385	0.7
60.40696	0.4
74.75822	0.3
74.99066	5.4
91.02218	3.0
93.00130	5.6
109.06541	0.4
149.00955	4.4
151.11351	0.7
155.10765	0.9
155.51505	0.4
158.98924	0.4
159.08455	8.8
161.06432	2.7
167.10623	0.4
191.14534	0.7
192.98109	0.5
206.99742	2.0
209.01228	4.0
217.07289	1.5
223.02858	52.9
224.02930	0.5
241.03922	0.8
245.19110	3.2
263.20322	0.7
285.20389	0.4
289.07584	2.0
289.18259	3.4
291.09140	100.0
292.09378	0.8
307.12238	2.7
307.19208	9.8
309.10233	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	305.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89634	1.0
55.01902	1.4
57.03458	100.0
59.01383	16.7
68.63690	0.9
69.03467	1.2
71.01398	5.9
73.02973	2.2
76.56910	1.1
81.03462	65.0
83.01391	1.9
85.02971	1.4
87.00897	6.3
95.01411	2.0
96.96007	1.4
99.04520	27.6
101.02441	18.8
113.02439	12.5
114.38052	1.0
125.02477	4.2
127.98997	0.9
131.50545	1.0
141.60535	0.9
159.03011	1.5
161.03220	1.6
161.04553	45.1
167.33481	1.0
203.05557	1.5
210.16568	1.0
221.06700	2.0
227.43774	1.0
233.07738	1.1
243.08681	17.7
286.00021	1.0
305.08731	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	305.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61460	1.5
59.01377	32.7
59.01647	1.6
66.47979	1.6
68.61958	1.5
69.03465	2.8
74.09107	1.7
117.07088	32.4
125.09687	3.6
131.79745	1.8
135.08180	7.1
151.54369	1.7
153.01172	2.2
163.11339	2.0
167.10794	4.0
179.14417	3.5
195.13942	20.2
205.12350	13.9
209.66922	1.8
215.67165	2.0
223.13429	100.0
245.11491	7.9
277.18045	3.3
287.16553	33.3
305.13727	9.9
305.17416	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	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08612	4.4
59.01385	100.0
60.36069	3.8
71.05032	7.9
72.37534	3.9
99.04497	72.8
101.28400	4.6
121.38540	4.5
123.08141	23.0
141.01724	33.5
149.09752	5.7
159.92949	4.2
243.17525	22.4
247.16530	4.6
287.16574	43.0
305.17679	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07620	1.7
57.03451	2.5
59.01393	31.9
71.05022	85.0
73.01601	1.7
80.02682	2.1
81.03471	2.6
83.05016	4.4
93.03455	2.2
95.05019	32.5
97.06631	2.3
102.32257	2.1
106.04219	3.9
107.05024	4.5
109.06621	27.4
111.04510	3.7
118.80219	1.8
119.05013	3.0
121.06553	11.0
127.07670	3.2
135.08156	2.1
141.01674	8.1
147.04498	3.6
147.08133	4.3
161.09796	2.6
165.09178	12.6
189.12866	17.4
197.73305	2.5
205.15907	17.5
231.13824	2.5
233.11758	13.1
243.17609	16.9
249.14975	21.4
261.18344	3.2
269.15469	4.6
287.16559	100.0
305.14285	3.5
305.17633	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2331
Annotation	8,11-eicosadiynoic acid
Peak:m/z	Relative Intensity
59.01379	9.0
62.07098	0.5
71.01386	0.5
71.19396	0.5
134.26236	0.6
167.79976	0.7
172.41049	0.5
259.24280	4.1
303.23325	100.0
303.68616	0.6
304.23672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.9526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66046	1.3
53.32297	1.3
54.56891	1.3
58.26548	1.4
59.01389	9.7
65.99970	1.4
67.41486	1.3
69.98125	1.4
71.01391	3.4
73.02967	2.6
76.47923	1.5
78.95913	3.2
80.33973	1.7
84.87580	1.4
87.00839	1.4
87.92524	63.8
88.04096	1.6
96.96032	8.3
96.96949	6.2
101.52615	1.4
103.92026	100.0
104.92823	25.8
105.90891	1.8
105.93607	18.0
106.94378	2.7
110.02499	7.5
111.02828	1.8
116.22948	1.6
116.92854	3.1
123.94648	40.0
145.96722	75.2
147.94659	3.0
161.96222	43.5
163.97780	9.9
171.59163	1.6
189.95711	9.9
195.63550	1.7
199.94131	53.8
209.28267	1.7
210.06339	2.0
242.05698	1.5
262.11563	1.6
303.95541	2.0
312.54843	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	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	70.4
60.01711	7.1
60.93435	0.7
61.01814	1.4
61.66443	0.7
61.98832	100.0
91.54536	0.8
100.94849	0.7
110.99139	0.8
115.02502	1.1
116.02655	1.5
117.00462	3.4
117.02251	1.5
118.00529	3.6
119.00155	3.2
155.43860	0.8
159.01503	10.3
160.01665	21.8
161.01195	26.7
161.98953	21.3
162.01587	5.0
165.26868	0.9
193.07370	1.0
201.02386	1.2
202.02747	4.9
203.02422	3.5
204.00085	3.9
204.02768	3.0
204.08543	0.9
226.34746	1.1
303.99960	8.0
304.02948	26.0
304.62787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	64.9
69.02892	2.4
75.52419	2.7
76.08777	2.7
78.45102	3.0
107.30363	2.4
128.93948	2.8
137.50035	2.7
168.13939	100.0
194.16890	2.9
201.14934	2.8
207.82320	3.2
280.47754	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	304.2284
Annotation	Samandarine
Peak:m/z	Relative Intensity
50.76987	0.4
57.18703	0.4
59.01389	3.1
78.30995	0.4
80.85104	0.5
86.06116	44.2
91.00562	0.5
109.63285	0.6
111.01421	0.5
130.05019	0.5
141.01695	0.8
168.13913	0.6
232.73514	0.6
251.96527	0.6
262.21835	1.0
304.22867	100.0
305.23364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46617	0.8
59.01389	1.8
71.01385	7.6
72.99310	36.4
73.02932	1.4
73.43473	1.0
74.99374	2.1
83.01419	2.4
85.02979	6.9
87.00880	4.7
92.10777	1.0
96.96018	5.3
97.02988	1.0
99.00901	6.5
101.00957	4.8
101.02463	5.3
102.98891	2.3
107.58870	0.9
111.00893	1.8
111.98240	1.1
114.98911	7.1
117.00418	10.0
117.01928	2.2
122.21715	1.0
123.03067	8.5
125.00945	48.5
125.02382	1.7
128.98642	1.3
129.01904	10.2
137.93062	1.1
141.00485	11.0
143.02075	1.3
156.99945	1.4
167.00693	2.2
167.02017	47.6
168.99823	1.8
170.97884	2.5
171.01506	2.4
183.01561	4.6
189.03882	1.4
193.18756	1.0
199.00928	2.0
201.02580	1.4
205.84879	1.2
207.05128	100.0
213.99944	1.3
227.00490	1.6
229.02092	2.0
245.01601	3.8
263.02646	1.1
269.01575	1.4
287.02621	38.2
287.05692	1.7
305.03702	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	305.067
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.80114	0.7
57.03450	11.4
59.01388	9.0
63.48059	0.7
68.00222	0.7
68.95376	0.8
69.03474	2.1
71.01400	1.2
74.02480	1.8
74.36723	0.8
78.91881	1.0
81.03474	5.7
83.01389	6.4
83.05064	0.9
87.40164	0.8
89.02453	0.9
92.10808	1.7
93.03478	2.0
94.80879	0.8
95.01394	4.7
95.05035	5.6
97.02954	6.4
108.02164	0.9
109.02951	21.4
111.04530	7.3
115.74026	0.7
115.98963	0.8
116.03539	1.3
121.02946	6.0
123.00884	7.7
123.04527	3.3
124.01646	8.4
125.02444	100.0
127.03510	0.8
133.02930	3.8
135.04510	6.2
137.02452	30.5
138.03241	1.1
138.05598	1.8
139.04019	26.0
141.01738	1.1
147.04553	1.5
149.02451	1.6
149.06148	1.3
151.04059	3.6
159.04388	1.1
161.02444	3.1
164.01128	8.8
165.01924	17.0
166.02748	1.3
167.03506	18.4
173.06094	1.0
175.03960	4.4
177.01999	1.0
177.05609	6.3
179.03488	14.0
181.05170	1.1
191.07146	1.6
201.05571	1.1
203.03520	1.9
204.04309	3.4
204.63451	0.8
219.06665	16.1
221.04572	5.0
237.07555	1.0
261.07574	6.5
305.06696	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01686	0.8
56.66604	0.8
56.88465	0.8
59.01389	12.0
60.28034	0.8
61.24010	0.8
69.44850	0.9
76.28387	1.0
76.47544	1.0
82.15981	0.9
85.98849	0.9
123.00867	1.9
136.01649	6.8
151.03998	2.2
155.10722	2.4
169.06557	1.2
174.01740	1.6
197.06134	5.4
205.97061	1.0
208.05292	2.4
217.10736	1.4
224.04759	3.5
225.05609	15.5
226.06433	1.1
240.07922	100.0
249.11305	4.5
255.10271	50.9
314.21094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37669	0.2
56.82751	0.2
57.68225	0.2
59.01387	0.7
64.34562	0.3
75.20229	0.3
92.11721	0.3
97.03779	0.3
105.20963	0.2
121.03013	1.1
121.06593	13.4
121.25916	0.3
122.03713	0.4
124.01687	1.3
134.03729	2.4
135.04538	1.2
137.02449	2.3
139.04057	2.0
140.31836	0.3
140.95070	0.3
148.05295	3.1
149.06088	100.0
150.06456	0.5
163.03935	0.6
165.97546	0.3
180.04257	1.4
186.32314	0.3
206.11449	0.3
209.68900	0.3
212.26274	0.3
224.34445	0.3
255.06641	0.5
269.08154	0.4
270.08994	1.1
274.60098	0.3
283.06500	0.3
285.11362	8.4
303.09152	0.4
303.12430	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	303.2331
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
63.83175	0.8
70.10162	0.8
80.13115	0.9
81.69229	1.0
103.94649	1.0
144.90999	1.2
263.03976	1.1
273.47415	1.0
303.23309	100.0
318.19833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29119	11.8
52.48853	11.4
53.88015	10.5
59.01376	100.0
72.90366	12.0
85.60428	14.2
87.00865	14.4
95.15160	14.3
111.00911	12.8
117.49448	14.3
154.85303	15.2
163.04074	13.4
186.60338	13.5
191.18217	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	303.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20545	0.9
52.92449	1.3
53.00330	1.6
53.21866	0.9
53.36359	0.8
53.46154	0.9
54.19199	0.8
55.01889	1.2
56.74303	0.9
57.03476	0.9
58.00617	2.0
59.01390	85.9
59.73541	0.9
60.63851	1.0
67.59525	1.1
67.61258	1.0
67.76626	0.9
68.99825	2.0
69.03471	1.1
69.42373	0.9
70.70727	0.8
71.01385	31.4
72.99311	36.8
72.99692	1.6
73.02966	1.8
75.00869	22.1
75.01241	1.6
79.05544	5.8
80.02699	1.6
83.01411	2.0
83.05029	1.9
84.02187	1.4
85.02938	1.1
87.00899	2.3
89.02444	44.5
91.05581	1.3
91.31500	1.0
91.50536	1.2
92.10162	1.3
93.03507	5.0
95.01411	1.3
95.05061	5.7
97.02979	1.4
97.06583	27.1
99.00888	11.8
102.94374	1.1
105.07134	1.9
106.04256	1.8
107.05039	6.2
108.02190	4.1
109.02946	1.1
109.06597	7.3
111.08170	18.8
112.98809	16.1
115.00385	1.8
117.01940	22.4
119.05030	1.4
120.05795	7.7
121.02943	1.9
121.06581	15.9
123.04564	2.5
123.08160	6.3
124.01690	6.9
124.98818	8.4
125.06099	9.8
131.05022	2.4
133.06654	1.2
135.03029	13.1
135.04533	2.5
135.08150	8.8
137.02444	6.6
137.06070	2.5
139.07669	18.2
142.99864	100.0
149.06087	24.6
151.07585	1.4
153.05589	15.0
161.83681	1.1
164.07144	1.3
165.05542	2.2
166.06355	6.9
167.07146	22.4
171.10266	1.7
173.00941	12.8
174.01680	17.6
179.07120	1.7
181.08693	14.1
183.06584	1.6
185.11841	5.9
193.05061	6.3
196.59114	1.1
207.06752	1.4
211.06200	5.2
213.07762	2.4
213.11371	5.1
225.07692	29.5
233.92589	1.1
275.72000	1.3
285.03925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90789	1.7
56.10722	1.6
56.23244	1.6
58.00597	1.7
59.01384	100.0
64.34678	1.9
69.03483	3.1
71.01376	25.9
72.99308	64.4
72.99686	3.4
73.02909	2.2
75.00868	34.2
79.05505	2.4
83.01390	1.9
83.05045	2.3
87.00877	2.2
89.02431	26.1
92.10130	3.7
95.05043	2.6
97.06586	27.6
99.00883	17.9
108.02198	2.7
109.06574	15.7
110.03770	4.2
111.08155	21.7
112.01685	2.8
112.98814	59.9
115.00394	2.6
117.01913	18.4
121.06583	10.8
123.08224	7.0
124.01685	8.5
124.98801	8.5
125.06073	16.1
135.03003	18.5
137.02441	3.7
137.06056	4.6
139.07635	23.6
139.41440	1.9
142.98828	3.5
142.99872	75.1
143.63907	1.9
149.06079	17.3
153.05577	26.7
165.12881	3.0
167.07138	25.1
173.00925	12.3
174.01698	63.8
189.93170	1.9
193.05090	8.9
197.11903	2.7
211.06029	4.3
231.07942	2.3
240.07967	10.9
249.11491	4.7
255.10294	7.7
303.14478	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	303.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97253	0.8
55.01889	1.4
57.03460	1.4
58.00600	4.3
59.01382	98.6
60.35305	1.0
68.99819	1.7
69.03470	1.8
71.01374	33.5
72.99303	44.7
72.99685	2.1
73.02961	2.0
74.67494	0.9
75.00864	23.5
78.91875	0.9
79.05521	8.4
80.02679	4.2
80.91694	1.3
80.99834	1.5
81.03481	1.0
83.01408	1.0
83.05023	1.7
84.02158	1.1
87.00877	1.9
89.02440	42.3
91.05531	2.0
93.03456	1.8
95.05035	7.0
96.99326	1.2
97.02899	1.3
97.06583	30.3
99.00871	15.1
105.07134	2.6
106.04245	2.2
107.05077	9.7
108.02185	4.0
109.06593	7.5
110.03716	2.5
111.00858	1.8
111.08151	18.6
111.41283	1.0
112.98804	14.9
113.99556	1.5
115.00377	1.4
117.01929	25.2
117.02733	1.8
119.05013	1.9
120.05817	6.8
121.02998	2.4
121.06579	19.5
123.04507	1.9
123.08132	7.4
124.01652	6.0
124.98788	11.0
125.02432	2.4
125.06100	12.4
131.05067	1.9
134.03751	1.9
135.02988	14.3
135.04541	2.5
135.08171	6.6
137.02455	4.2
137.06100	4.4
139.07651	19.3
140.98340	1.5
142.99864	100.0
146.62347	1.1
149.06094	29.1
151.07614	1.9
153.05574	13.7
157.62602	1.1
164.07153	1.4
165.05537	1.2
166.06346	7.5
167.07129	29.3
173.00891	12.6
174.01685	16.9
179.07176	2.1
181.08702	14.9
183.06625	1.6
185.11810	5.0
193.05055	7.2
207.06689	1.3
211.06142	4.7
213.07686	2.6
213.11375	2.2
225.07718	29.5
249.11380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
50.36133	0.8
54.84550	0.7
64.80633	0.9
153.06740	0.9
166.46930	0.9
270.99423	1.0
301.21756	100.0
302.22006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2177
Annotation	Dysokusone E
Peak:m/z	Relative Intensity
54.82288	1.1
59.01381	1.4
61.98843	1.2
65.64386	0.9
78.53986	0.8
79.00550	1.0
105.17930	1.2
106.26967	0.9
111.32499	0.9
171.08194	1.4
243.17543	84.6
244.17838	1.2
283.20633	7.2
285.18683	11.1
301.21756	100.0
302.22073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2175
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
50.68502	0.4
53.36771	0.4
54.73981	0.4
61.42965	0.4
63.90347	0.5
92.10210	0.5
97.06155	0.5
97.68066	0.4
107.56532	0.5
145.29701	0.5
189.72446	0.6
301.21771	100.0
302.21906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43265	0.5
57.03454	1.5
59.01393	3.5
63.93591	0.6
69.03468	1.1
70.60487	0.5
71.01394	0.7
83.05047	0.8
84.29904	0.6
85.03000	1.1
95.05045	1.1
97.06600	8.7
99.08154	16.1
109.06583	0.7
111.08138	0.7
113.19814	0.6
115.07684	0.7
127.07629	1.0
127.11290	3.5
129.09219	1.2
134.32265	0.8
135.08188	0.6
137.09726	2.9
139.11313	7.2
143.07184	1.0
155.10809	8.9
159.13560	0.7
165.09178	0.8
181.08696	0.9
183.10271	33.2
201.11363	13.3
218.42751	0.7
258.11258	1.2
265.18164	1.5
283.19330	1.1
301.20227	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	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03448	3.2
59.01391	3.1
61.03483	0.5
61.98815	0.7
69.03473	0.9
71.05022	1.0
78.36984	0.5
78.83054	0.6
80.35914	0.7
83.05036	0.9
85.02942	0.6
95.05003	0.6
97.06576	8.9
99.08149	14.7
99.08743	1.1
109.06592	0.7
113.09754	0.6
119.50676	0.6
127.11332	4.8
127.12170	0.6
129.09233	2.2
130.96089	0.6
137.09721	2.6
139.11288	13.1
143.07118	9.9
155.10805	6.5
157.12282	0.8
165.09245	1.1
171.10274	0.8
181.08687	0.9
183.10258	30.3
201.11322	13.2
210.59688	0.6
225.10371	0.8
265.18109	3.0
283.19287	0.9
301.20233	100.0
302.20398	1.2
307.45685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60898	1.6
59.01393	9.2
78.87693	1.7
87.70146	1.8
120.89412	1.9
128.58786	1.8
130.88409	1.9
150.56126	1.8
165.12848	24.7
183.10361	2.6
183.13908	100.0
209.11830	3.4
224.96611	1.7
227.12868	20.9
301.16589	22.3
301.20212	14.1
307.77692	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.94407	0.1
71.01397	0.2
73.02947	0.2
74.65881	0.2
87.73959	0.2
89.02449	0.3
91.04017	0.8
111.08152	0.2
129.50130	0.2
165.12862	2.7
165.14134	0.3
183.13904	100.0
184.14270	1.2
209.11880	1.9
220.62126	0.2
227.12892	3.8
231.70503	0.2
301.16602	9.9
301.20029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22134	0.2
56.32698	0.3
59.01365	2.2
61.74898	0.2
61.98836	0.4
62.91035	0.2
64.35080	0.3
67.55248	0.3
79.04382	0.3
80.02682	2.0
81.03457	0.7
83.05021	5.3
84.02172	0.7
91.91047	0.3
95.05017	0.6
104.52168	0.3
110.00101	0.3
125.06077	0.4
132.16911	0.3
134.03728	0.5
135.08116	0.8
163.11285	5.3
165.12831	3.0
181.12306	0.5
191.10777	1.5
206.66814	0.4
209.11848	100.0
210.12267	0.7
227.12932	3.8
301.03461	0.4
301.07172	0.4
301.10779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50143	0.2
57.03461	0.3
57.69987	0.2
57.82139	0.2
58.00599	0.4
59.01383	4.2
63.51553	0.2
69.03455	0.3
71.01378	25.0
77.84402	0.2
83.05042	0.3
87.00875	0.5
87.89785	0.2
89.02443	1.8
97.02950	0.2
102.58878	0.2
109.06586	0.2
111.08176	0.2
130.11099	0.2
147.28160	0.2
148.25598	0.2
149.09726	0.2
165.12848	2.5
167.13179	0.2
167.14453	1.2
179.14389	0.2
183.13904	9.0
193.12317	2.3
203.14542	0.2
211.13423	100.0
212.13779	0.4
213.14954	2.3
214.27962	0.2
223.13406	0.4
235.13292	0.2
241.14485	7.1
247.13429	1.0
253.14557	0.4
255.16023	2.1
265.14490	3.1
271.15506	0.4
283.15521	1.3
301.11157	0.3
301.16626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31202	0.3
58.00597	0.9
59.01386	4.0
71.01378	27.6
89.02460	2.4
92.10051	0.4
95.05022	0.5
123.94870	0.4
125.85966	0.3
136.07689	0.9
156.07430	0.3
165.12854	1.5
167.14409	0.4
174.88162	0.4
183.13910	8.3
193.12358	1.7
211.13420	100.0
212.13765	0.8
213.14983	3.0
241.14505	6.3
247.13406	0.7
253.14606	0.7
255.16035	1.6
257.12991	1.6
265.14410	3.5
283.15579	0.8
301.07251	0.4
301.16650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97528	1.0
61.98860	0.3
64.29961	0.2
74.99088	0.8
77.82928	0.2
109.29864	0.2
134.99397	7.3
136.97304	4.2
138.50996	0.3
141.07443	0.3
150.98856	0.4
159.08508	1.9
161.06400	9.1
201.04086	0.5
203.05672	4.7
205.03555	1.4
215.05670	1.3
217.07231	100.0
218.07297	1.2
235.08282	0.3
261.06146	0.9
283.11920	0.3
285.13501	41.5
286.13834	1.0
301.16629	88.3
302.16696	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	301.2022
Annotation	Koninginin G
Peak:m/z	Relative Intensity
54.23102	0.3
57.03445	3.0
59.01389	0.4
60.30158	0.3
65.28422	0.3
67.53285	0.3
83.05010	0.8
88.68865	0.4
88.84091	0.4
97.06613	0.9
99.08073	0.5
109.75555	0.4
110.30906	0.4
111.08157	1.7
113.09761	1.4
125.09750	1.7
127.11250	2.0
200.04831	2.4
204.92592	0.4
211.20767	0.8
221.19130	41.9
228.73381	0.5
229.08725	3.6
237.18628	2.4
239.20218	8.3
242.13202	0.6
257.21191	2.7
265.18118	25.3
283.19165	30.9
301.20230	100.0
302.20758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0932
Annotation	Tachioside
Peak:m/z	Relative Intensity
55.91763	0.5
59.01377	1.0
59.76482	0.3
61.81898	0.4
71.01384	0.7
76.57451	0.5
80.77115	0.5
85.02953	0.6
93.03467	0.8
95.01389	4.6
96.95992	1.7
101.02450	0.6
104.17611	0.5
110.02466	0.7
112.87834	0.5
113.02449	0.8
121.02944	2.3
122.03728	0.7
123.00884	100.0
124.01691	5.0
125.02472	0.6
137.02429	1.0
138.03230	43.5
139.04028	6.2
149.02457	0.5
151.03987	1.1
161.04501	0.9
166.02670	1.0
181.05084	3.4
191.28923	0.5
193.05035	1.7
205.62883	0.5
301.09326	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	301.1083
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
50.88260	0.2
54.59010	0.3
57.15014	0.3
76.36996	0.3
84.34459	0.3
99.30941	0.3
102.21448	0.3
108.02176	1.3
128.41208	0.3
136.01686	0.4
137.02451	1.5
137.06096	0.4
150.03198	0.8
157.02519	0.4
162.03188	0.3
163.04015	28.5
164.04793	17.0
165.05569	2.3
179.03473	0.5
181.01390	0.7
196.03787	63.8
301.10846	100.0
302.11206	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	301.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88118	13.5
58.89846	14.0
59.01394	64.2
60.10286	13.9
61.98837	71.2
77.31866	12.9
127.22775	15.6
135.04221	13.9
201.90344	15.0
263.74792	15.9
265.18143	100.0
318.77032	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	301.1597
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
54.92378	0.5
59.01398	0.6
64.01298	0.6
68.26406	0.5
68.54399	0.6
69.27350	0.6
88.21820	0.6
132.03436	0.6
191.27919	0.7
208.08807	0.8
225.62723	0.6
271.11282	21.9
282.75638	0.6
285.13641	0.8
286.13644	68.9
300.26221	1.0
301.16003	100.0
301.26407	5.2
302.16357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1601
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
59.01387	0.7
61.98837	0.7
63.87524	0.4
65.25360	0.4
68.50490	0.4
86.92639	0.6
91.99794	0.5
141.13673	0.4
155.05865	0.5
286.13663	3.5
301.16006	100.0
302.16351	2.5
322.60410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2018
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
50.44904	0.2
52.45713	0.2
59.01385	1.0
116.92839	0.3
126.53281	0.2
136.53185	0.2
174.99184	0.3
189.14772	0.2
217.00273	1.3
299.20203	100.0
300.20526	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	299.2018
Annotation	17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one
Peak:m/z	Relative Intensity
57.08338	0.3
57.93385	0.4
59.01380	2.9
96.02332	0.3
104.70660	0.4
116.92840	0.8
157.06549	3.4
159.08148	0.7
169.06580	2.4
174.99190	1.4
217.00250	2.4
225.12914	1.3
226.13586	0.6
233.89035	0.4
237.22166	0.7
241.15988	65.3
242.16202	0.7
281.19040	8.5
281.21597	0.5
283.17014	8.9
299.20175	100.0
300.20566	2.4
319.62512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44422	0.8
59.01384	10.2
84.41824	1.1
87.01682	1.0
92.10047	1.6
114.39067	0.9
122.17931	0.9
141.12776	1.2
174.99225	2.3
192.88486	1.1
217.00278	6.3
218.19035	1.1
225.22202	5.7
241.15988	1.7
253.21550	1.8
271.22815	100.0
281.24680	1.9
299.20111	38.4
299.25833	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12396	0.3
58.44501	0.3
59.01395	6.4
60.31708	0.3
62.43764	0.4
79.68124	0.4
87.18667	0.4
124.75948	0.4
174.99236	2.1
176.18507	0.4
183.48549	0.5
217.00278	3.7
253.25369	4.1
281.24905	1.8
283.12662	0.4
297.24533	0.8
299.25937	100.0
300.26401	0.5
318.23532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
54.41716	0.3
59.01382	4.0
67.30784	0.3
70.17913	0.3
80.82276	0.3
89.19218	0.3
91.12903	0.3
116.92822	0.5
217.00345	2.2
238.73055	0.4
239.29169	0.3
253.25432	4.6
275.52780	0.4
281.24969	0.7
299.25949	100.0
300.26202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.56758	0.6
55.01895	0.8
56.10415	0.7
63.75247	0.6
75.54137	0.6
98.33884	0.8
107.17963	0.7
108.57765	0.7
114.68484	0.7
116.92854	2.9
120.07975	0.6
198.72293	0.8
217.05376	0.7
225.22220	1.6
249.22374	0.8
251.23822	7.3
253.25375	90.0
280.85086	0.7
281.24738	1.0
299.25925	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00338	0.3
53.51340	0.2
57.17270	0.2
59.01384	3.5
68.01413	3.8
74.29568	0.2
85.01612	0.2
89.16651	0.3
95.05048	0.4
96.04555	0.5
109.01692	0.4
110.06138	0.3
113.93934	0.2
122.02470	1.5
122.06155	0.4
123.02338	0.4
123.03257	9.6
124.04073	0.5
124.07655	0.6
136.07698	0.6
137.04808	1.4
138.05612	100.0
139.05891	0.3
152.03546	0.4
152.06125	0.3
152.07170	2.2
166.08762	0.3
167.05869	2.1
180.06680	5.1
202.91872	0.3
210.07834	0.4
215.55396	0.2
300.10938	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18476	0.3
56.70173	0.3
59.01365	1.1
59.71961	0.3
68.01416	0.7
90.59627	0.3
91.84248	0.4
92.10168	0.6
98.96841	0.3
103.80087	0.3
122.02460	0.4
123.03253	15.2
129.38725	0.3
137.04794	1.7
138.05608	100.0
139.05965	0.4
176.85774	0.4
180.06664	2.1
186.71919	0.3
300.10895	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Aromadendrin 4'-methyl ether
Peak:m/z	Relative Intensity
51.12404	0.5
51.14527	0.5
54.83243	0.9
59.01389	2.9
63.02406	14.6
65.00332	22.8
67.78108	0.6
68.61214	0.6
74.84096	0.6
76.01824	0.7
77.74335	0.6
80.02700	3.8
83.01393	14.1
83.05986	0.6
92.10740	1.3
95.01440	0.7
107.01398	41.4
107.02118	1.4
108.02181	26.2
123.00911	1.3
123.04534	3.7
125.02454	0.9
134.03743	65.9
135.04591	1.3
136.01662	14.9
149.06085	32.2
151.00375	67.7
160.30453	0.8
164.01184	16.3
165.01927	3.0
169.01477	5.7
171.26324	0.6
174.03246	1.6
177.01936	9.7
196.00156	10.7
201.02019	1.4
242.05707	0.9
285.04144	1.7
286.04776	3.7
301.07202	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	299.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60779	0.7
55.01897	1.1
59.01387	55.2
69.03477	1.3
71.05044	1.2
80.02715	3.1
81.03492	3.4
83.01377	0.8
83.05037	42.7
84.02175	6.3
92.10180	1.2
93.03440	0.8
96.78803	0.7
97.06570	6.8
109.06601	11.2
113.09741	1.2
121.06609	1.0
127.00925	0.8
129.09187	8.2
134.03751	3.2
135.04568	0.9
135.08150	19.2
136.98862	1.1
137.09744	5.8
139.07704	1.8
141.09235	1.9
157.08707	12.3
163.07637	7.9
169.08708	9.5
174.99301	4.6
181.08716	100.0
191.10774	4.7
199.09796	4.4
217.00253	10.8
219.17552	4.0
263.16544	1.3
281.17590	12.7
284.03320	7.2
284.06528	1.3
299.05603	1.5
299.09378	1.3
299.12961	13.9
299.18585	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78030	0.9
56.16178	0.8
57.03474	3.9
59.01390	20.7
63.02433	1.3
63.36959	0.9
65.00339	1.5
69.03486	1.3
71.01393	2.2
76.97616	0.9
79.06485	1.2
83.05049	1.2
85.02967	4.7
93.03484	1.1
95.05051	4.1
97.03013	1.7
97.06593	13.3
99.08145	5.0
109.06591	4.9
110.03739	1.2
117.03472	8.1
127.11287	1.3
135.08141	1.4
137.09717	2.2
139.11270	6.0
142.08238	1.0
142.26932	0.9
143.07138	7.0
147.08170	1.1
149.09729	6.0
151.70650	1.0
155.10774	7.5
161.02449	6.5
163.00377	9.7
163.11295	1.7
165.09177	1.7
174.99344	2.5
175.07542	1.2
181.08739	2.4
181.12318	1.0
183.10271	33.1
193.08760	1.8
201.11397	11.7
207.10255	11.7
209.11835	2.0
211.09834	1.5
217.00320	9.8
219.17763	1.3
225.11301	8.9
244.00475	1.2
263.16489	4.6
269.04590	10.1
281.04541	14.1
281.17642	1.5
284.03333	10.1
299.05698	14.5
299.15475	3.8
299.18661	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	299.0925
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.67155	0.5
54.96531	0.5
59.01380	15.7
61.67730	0.5
65.00327	8.1
67.01895	1.4
68.62004	0.5
68.99825	1.2
70.33231	0.6
89.00308	1.5
91.01888	2.9
92.99809	1.2
93.03444	7.0
104.20272	0.6
107.01379	0.9
111.00922	1.4
114.40013	0.6
119.05013	26.7
135.00894	6.6
135.04544	4.0
136.59657	0.6
151.00365	2.5
163.03996	22.6
164.04776	8.8
174.99208	4.5
176.98291	5.8
177.01938	0.8
178.99861	36.6
181.67976	0.6
187.03902	2.2
193.01373	0.9
196.03783	30.9
205.01437	4.3
217.00311	12.2
271.09689	0.7
281.08029	0.7
294.69702	0.6
299.05667	21.8
299.09259	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	299.1137
Annotation	Icariside D2
Peak:m/z	Relative Intensity
50.82108	0.6
55.49680	0.7
57.03473	0.6
57.12933	0.7
58.52435	0.6
59.01383	39.4
59.99285	0.6
61.70449	0.7
61.98868	0.9
71.01389	8.3
73.02948	1.9
85.02974	3.6
89.02476	1.5
91.16215	0.7
93.03479	7.2
96.75903	0.8
101.02454	3.6
106.04261	4.3
108.02229	1.3
113.02477	1.2
119.03555	1.0
119.05022	10.1
120.57108	0.9
132.98195	1.1
137.02441	8.4
137.06084	100.0
161.04585	3.5
170.61925	0.7
174.99304	11.0
179.03487	1.2
183.57974	0.7
202.30806	0.8
217.00343	24.0
219.80481	0.8
299.07803	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	299.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78381	1.5
59.01386	49.3
74.35960	1.8
80.02737	2.2
81.03461	2.2
84.02159	3.0
85.02960	4.5
91.03986	2.8
97.02959	10.1
100.44537	1.9
109.06583	47.5
110.03744	3.0
121.02945	4.6
135.08127	8.9
143.07118	2.9
145.73578	2.6
156.89441	2.2
160.46533	2.2
161.09732	2.8
163.11295	35.0
169.06505	2.7
174.99251	12.3
181.12372	8.8
185.06030	2.5
189.09184	9.3
203.16673	2.4
207.10277	100.0
211.07578	2.9
213.05597	4.0
217.00276	27.6
225.11337	39.1
239.07112	11.8
241.05064	27.8
253.08687	12.3
268.07578	4.1
269.04568	35.9
283.06439	2.3
283.09775	12.6
284.03998	3.2
284.06967	23.8
284.10544	25.0
298.97659	2.9
299.05756	6.8
299.09247	31.1
299.12933	13.4
299.18149	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	299.1502
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
52.87799	0.4
54.27849	0.4
59.01385	100.0
61.78770	0.5
66.18163	0.4
92.10038	0.8
116.66454	0.5
147.64523	0.5
151.50235	0.6
168.06133	0.5
174.99323	0.6
207.10371	0.7
217.00319	2.0
225.11171	1.1
294.22656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12172	1.5
55.19737	1.2
55.41314	1.3
57.03451	7.7
59.01380	23.0
69.03462	6.1
71.01382	2.3
71.05011	3.0
73.02935	5.8
83.05019	6.0
85.02950	1.8
92.26580	1.4
95.05009	2.5
97.06579	33.9
98.03720	1.7
99.08156	9.3
111.08213	1.9
113.09738	10.3
115.07693	1.8
125.09749	2.3
127.07593	8.1
129.09218	79.2
135.08177	6.0
137.09671	1.7
139.07646	15.3
141.09204	19.8
143.07140	7.2
151.07661	8.0
155.10776	9.5
157.07407	2.5
157.08702	78.0
162.03279	2.4
165.12849	3.4
169.08711	64.4
177.12909	1.8
181.08682	20.3
183.10286	2.8
210.09016	3.1
217.00360	7.3
219.17596	26.4
237.18649	1.8
263.16580	13.5
269.04572	2.7
269.53796	1.4
281.17618	58.8
283.06088	3.0
284.06946	6.0
299.09329	16.2
299.18671	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	299.1866
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03450	4.4
59.01379	21.8
60.75451	0.9
62.85879	0.9
65.00330	1.9
69.03447	1.1
71.01379	1.9
78.65192	1.0
81.03457	1.2
83.01371	1.2
83.05051	1.5
84.02167	1.9
85.02962	6.5
86.22314	1.0
86.83646	0.9
91.51379	0.9
95.05032	2.4
97.06577	15.8
99.08167	5.1
102.28493	1.0
107.01338	3.5
109.06573	4.2
117.03456	14.1
119.05077	1.0
119.06775	1.0
121.03015	1.2
121.06603	1.5
123.08210	1.1
127.11238	1.2
137.09727	4.1
139.07643	1.3
139.11275	6.2
143.07147	13.4
143.08195	1.4
147.04504	1.6
149.02414	6.5
149.09717	6.5
151.00362	7.3
155.10767	7.2
157.08742	2.0
161.02406	1.7
163.00317	1.7
163.11305	1.9
165.12897	1.1
174.99236	5.0
181.08820	2.1
183.10258	24.0
198.44403	1.0
201.05553	1.4
201.11311	13.1
207.10246	5.5
217.00360	10.2
219.17606	1.3
225.05659	1.7
225.11302	1.8
237.07779	1.1
263.16507	3.9
269.04599	21.6
281.04550	11.0
297.04187	14.6
299.05649	47.7
299.18665	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	299.0563
Annotation	3,5-Dihydroxy-6,7-methylenedioxyflavanone
Peak:m/z	Relative Intensity
52.71784	0.3
54.42613	0.4
59.01383	19.8
60.93856	0.4
65.00327	11.3
67.01903	2.6
68.99831	3.1
89.00319	4.3
91.01873	3.2
92.99803	0.5
93.03438	10.6
105.17506	0.5
107.01419	0.4
111.00876	3.5
119.05019	36.0
124.01698	0.7
135.00870	6.5
135.04539	3.3
137.02498	0.8
151.00369	2.3
153.01901	0.6
163.04015	20.1
164.04782	7.1
169.70790	0.5
174.99265	6.3
176.98288	8.3
177.01910	1.9
178.99858	48.9
187.03998	2.6
193.01427	1.1
196.03778	30.0
205.01419	6.3
217.00304	14.9
247.01682	0.5
297.04080	0.8
299.05643	30.6
299.09256	100.0
300.09604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Koparin
Peak:m/z	Relative Intensity
52.00084	0.6
59.01391	14.6
65.00334	16.9
77.74204	0.5
82.35732	0.5
83.32019	0.6
83.96458	0.6
87.00891	0.8
87.62581	0.7
101.38850	0.6
108.02161	1.2
108.99313	0.7
110.99383	0.6
115.04090	0.7
117.03495	1.2
135.16289	0.7
136.98808	24.6
146.03925	0.6
148.95950	0.7
149.99681	0.8
155.99028	0.7
156.05817	1.4
164.01151	0.9
174.99287	5.0
183.04526	3.3
184.05313	1.5
185.02487	1.3
186.03200	3.1
200.04787	4.1
211.04034	1.6
212.04868	5.4
213.94666	0.8
217.00294	11.1
227.03543	4.5
227.16518	0.8
228.04381	2.8
255.03020	1.1
256.03656	1.2
283.02487	3.8
284.03284	100.0
299.05627	31.2
299.18710	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	299.0564
Annotation	6a-Hydroxymaackiain
Peak:m/z	Relative Intensity
56.26155	0.6
57.03471	2.5
58.00581	0.9
59.01389	16.1
65.00334	5.7
68.65300	0.6
69.03485	1.0
71.01405	0.9
81.03481	0.8
83.01403	3.2
85.02975	3.7
95.05033	1.7
97.02929	0.7
97.06606	5.4
99.08168	3.6
105.03484	1.0
107.01392	8.3
109.06606	1.4
117.03457	26.6
121.02970	1.3
135.08174	1.0
137.09712	1.1
139.11295	3.3
143.07161	9.5
145.03021	1.3
147.04529	3.5
149.02454	12.3
149.09726	1.7
151.00383	19.1
155.10785	5.7
159.04495	1.6
165.09154	0.8
174.99248	5.5
180.05923	1.0
181.06581	4.0
181.08698	0.8
183.04546	1.1
183.10287	11.1
201.05643	3.5
201.11354	6.5
207.10228	5.0
217.00346	9.8
224.04836	0.8
225.05701	5.3
225.11378	0.7
227.03453	2.6
253.05083	5.9
254.05797	0.9
263.16565	1.4
269.04572	52.2
269.12152	0.9
281.04596	3.4
284.03290	0.9
297.04077	37.4
299.05640	100.0
299.18665	51.9
300.05853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.61240	0.3
55.01877	0.3
59.01384	3.1
60.30645	0.3
61.82404	0.3
62.80312	0.2
63.74183	0.3
71.01380	0.8
74.74772	0.3
78.95898	2.2
85.02935	0.6
93.03453	100.0
96.96958	1.6
97.34949	0.3
99.41584	0.3
132.21346	0.3
137.02451	64.0
147.90895	0.3
153.25240	0.3
174.99261	0.6
217.00363	1.5
304.96359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01387	2.7
65.09094	0.6
71.47349	0.7
82.73704	0.8
84.02171	0.7
96.35975	0.6
116.92842	3.3
184.51076	0.6
249.22202	0.8
251.23820	56.1
279.23370	1.3
292.85980	0.7
297.24371	100.0
298.24802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
60.74366	0.4
70.80157	0.4
72.50340	0.4
74.77421	0.4
97.06604	0.5
109.06589	0.4
114.38625	0.5
116.92861	0.5
130.31964	0.4
249.22321	0.6
251.23813	40.1
279.23334	0.9
297.24387	100.0
309.92206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
54.82419	0.4
58.46109	0.5
59.01391	2.8
63.11972	0.5
92.76343	0.5
94.82640	0.5
96.74200	0.5
115.61623	0.5
118.67053	0.6
137.37070	0.5
197.15483	1.0
251.23969	0.9
279.23331	3.0
295.22934	1.0
297.24374	100.0
298.24844	1.0
303.89685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	3,5-Dihydroxy-6,7-methylenedioxyflavanone
Peak:m/z	Relative Intensity
54.26993	0.5
56.25569	0.4
57.40736	0.4
58.01945	0.6
59.01382	21.8
59.03632	0.5
63.02409	0.6
65.00323	20.6
67.01893	4.8
68.99812	6.5
76.30882	0.5
77.83773	0.5
77.92686	0.5
83.01407	0.7
84.75148	0.5
89.00333	6.7
91.01874	7.3
92.99815	2.3
93.03455	19.1
107.01391	2.5
107.02067	0.6
108.99300	0.9
111.00890	4.7
119.05019	83.1
120.05380	0.6
128.55441	0.5
135.00890	12.2
143.05022	0.9
151.00381	4.4
153.02019	0.9
165.01985	0.7
174.99255	6.5
175.40604	0.7
176.98331	13.6
177.01866	3.7
178.99863	100.0
185.05983	0.6
187.04059	5.2
193.01405	3.6
194.23624	0.6
205.01407	10.1
217.00336	18.0
255.19653	2.1
263.16385	1.2
288.34860	0.7
297.04092	0.7
299.05627	57.2
299.18680	4.4
299.21960	1.2
300.05768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2073
Annotation	[1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate
Peak:m/z	Relative Intensity
57.03452	1.1
59.01386	4.4
71.05038	1.4
83.05052	0.9
92.10767	0.9
97.06593	1.5
99.08157	0.8
101.02428	1.0
113.09741	1.1
115.07628	1.6
116.92915	0.7
125.09758	5.7
129.68959	0.7
145.20853	0.7
151.11256	1.3
153.09244	1.0
153.12843	1.4
154.10005	3.2
163.11238	5.1
169.38396	0.7
197.11757	2.3
211.13393	4.5
235.20683	5.5
279.19659	100.0
285.38583	0.7
297.20721	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	11.1
71.58018	1.5
75.95486	1.6
81.88587	1.5
85.06568	1.8
92.10826	4.1
99.08155	4.0
100.05107	1.7
115.07644	3.0
121.02958	3.1
123.73687	2.0
160.91562	1.9
169.12360	2.9
181.12389	3.8
192.33499	1.5
193.76517	1.7
194.00044	1.6
197.11873	15.0
199.13419	6.5
211.13503	19.6
231.97060	1.8
238.42412	1.8
244.02773	1.8
279.19650	43.6
297.20737	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	297.2075
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
56.59768	0.4
59.01395	2.1
62.73565	0.4
63.64170	0.4
85.06596	0.6
85.84283	0.4
99.08148	0.7
101.06102	1.7
113.06104	0.6
114.06893	0.9
114.38957	0.4
122.27818	0.5
142.93616	0.4
148.71196	0.5
155.11172	0.4
167.14415	5.1
179.28130	0.5
183.13921	3.2
195.13918	13.1
211.13368	0.7
213.15056	1.9
235.20924	0.5
242.15118	0.6
251.20168	0.8
279.19617	9.4
290.15988	0.6
296.36804	0.5
297.20737	100.0
298.21060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46321	1.2
59.01377	12.0
94.31374	1.6
116.92902	2.5
142.19272	1.8
153.12852	8.3
181.12398	16.7
183.01057	2.3
189.09503	1.9
197.11827	2.3
208.76889	1.9
265.88824	2.3
279.19736	12.7
297.15292	3.6
297.20731	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	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54870	1.1
59.01385	51.5
68.57851	1.1
71.01369	1.2
80.02685	4.9
80.11638	1.0
81.03449	2.6
83.05026	46.5
83.86617	1.1
84.02181	5.2
94.89118	1.1
95.05025	2.2
97.06606	2.5
104.81643	1.1
108.05830	1.3
109.06590	11.1
111.24268	1.2
112.83926	1.3
117.03448	1.2
119.08694	1.6
125.06088	2.1
127.07656	1.8
135.08157	20.7
136.34448	1.2
137.09698	6.1
149.09697	18.0
157.08696	2.0
163.07654	4.8
165.09148	2.2
167.10768	31.4
169.08723	2.7
170.05840	2.7
181.08710	100.0
193.08745	9.5
199.09746	4.8
210.09036	7.4
211.07884	2.1
211.09779	30.7
217.16032	1.8
261.14981	1.8
275.74008	1.3
279.16043	14.3
297.04102	2.2
297.17197	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.186
Annotation	Totarolenone
Peak:m/z	Relative Intensity
53.29760	0.5
54.83015	0.5
59.01384	5.2
64.71760	0.6
69.67352	0.5
72.11721	0.6
79.95727	1.0
101.02470	0.7
119.05018	1.2
183.01219	42.8
183.02878	1.3
183.08092	0.9
196.08998	3.0
197.02742	2.6
197.09761	5.6
209.09746	1.5
241.16013	1.2
265.16013	7.8
282.16193	4.0
297.15286	67.3
297.18631	100.0
298.18759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.5
64.34393	1.1
70.30486	0.9
78.88586	1.0
83.50980	1.0
84.27776	1.0
85.09850	1.0
85.11069	0.9
97.06577	1.1
116.92879	1.0
119.19125	1.0
119.74131	1.1
147.09142	1.2
183.01160	1.6
192.90796	1.1
199.11259	4.3
201.55750	1.1
208.39650	1.1
222.47264	1.2
247.23743	1.3
281.15390	1.3
297.15363	6.4
297.18564	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	297.186
Annotation	Totarolenone
Peak:m/z	Relative Intensity
59.01393	0.9
75.37670	0.2
85.06604	1.2
97.06602	0.3
116.92868	0.4
134.28036	0.2
138.98068	0.2
185.09789	0.4
198.10493	0.2
199.11302	62.8
200.11700	0.4
201.12895	5.5
211.11298	1.1
225.12906	0.3
227.14276	0.3
241.16028	0.5
267.13864	0.4
279.09909	0.2
281.15561	0.5
282.16208	0.2
297.18625	100.0
298.18942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1861
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
59.01391	5.7
59.97730	0.8
65.25982	0.8
66.98598	0.9
74.96598	0.8
85.06592	82.7
87.82579	1.0
88.71229	1.0
90.65335	0.8
97.52556	0.9
99.15705	1.0
116.92865	1.4
197.09779	1.3
199.11305	17.9
199.17110	6.2
211.11310	12.8
212.12082	14.3
227.10831	2.1
244.11012	2.0
260.68042	0.9
279.17538	1.1
296.23236	1.2
297.18634	100.0
297.24048	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	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01388	11.7
84.12267	1.3
85.06582	2.8
86.72681	1.5
92.10044	1.7
95.38120	1.4
99.08136	6.4
101.02453	1.9
103.20523	1.3
114.60432	1.5
115.07642	7.3
125.05992	2.0
151.11270	1.8
155.10768	2.0
157.33359	1.3
167.14397	1.6
169.12401	3.2
171.10393	1.3
181.12323	8.0
183.13829	1.5
195.13829	2.4
197.11809	10.2
199.13414	5.5
204.28123	1.4
211.13405	21.6
249.03273	1.2
261.18402	1.6
279.19696	18.1
281.26138	1.3
297.20728	100.0
298.21036	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	297.1708
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
50.54939	1.9
57.03465	11.7
59.01386	67.8
60.56288	2.8
61.98824	20.3
69.03459	3.0
71.01381	2.5
73.02934	3.7
79.83486	2.4
81.03485	3.9
83.05024	41.8
83.05400	2.5
83.72366	2.4
92.10959	2.7
93.60298	3.0
97.06557	2.9
98.47479	2.5
99.08137	3.0
109.06614	12.4
110.03736	4.6
115.07632	4.6
121.66936	3.0
123.04495	3.1
129.09267	18.9
129.63643	3.0
135.08179	22.7
137.09731	5.8
141.09242	6.1
149.06073	5.2
153.09175	4.5
163.07611	3.7
178.10037	11.2
181.08723	63.0
181.12320	11.3
198.65018	2.9
217.16037	10.7
235.17047	6.5
264.33328	3.6
279.16049	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	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40603	1.4
57.03459	9.0
58.00589	2.9
58.70607	1.4
59.01382	48.4
63.19035	1.7
65.20123	1.6
69.03445	2.5
71.01369	23.6
71.05011	3.1
77.57713	1.4
81.03493	2.7
83.05021	33.7
84.02155	12.3
85.02976	2.9
91.44527	1.7
95.05019	12.3
97.06579	31.9
99.04495	4.2
99.08163	11.2
109.06601	17.4
113.09727	3.6
117.03461	2.2
119.08664	2.5
121.02951	2.4
121.06566	2.0
125.09724	2.7
127.07645	33.8
135.08180	13.8
137.09669	7.5
139.07655	16.9
141.09276	2.5
143.07146	10.4
153.09204	9.6
155.10799	2.9
157.08698	44.3
163.07643	3.8
163.11320	2.5
165.09198	2.4
169.08694	40.0
178.10013	7.9
181.08717	100.0
181.12219	13.7
188.77287	1.8
207.13690	2.8
208.07466	2.3
210.09013	47.2
211.13332	3.1
217.16026	21.0
228.10068	8.8
235.17120	15.2
261.15063	9.5
271.78745	1.8
279.16043	97.1
297.17099	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53427	0.4
54.42352	0.3
55.01883	3.1
57.03448	2.1
58.00601	2.3
59.01382	100.0
60.01730	0.6
61.01812	1.0
65.71410	0.5
67.90828	0.4
71.01377	42.5
72.99320	3.1
73.02949	6.6
73.34560	0.4
81.03459	0.6
83.01386	4.3
85.02948	16.9
87.00880	2.3
88.98814	0.7
89.02439	47.3
95.01387	4.6
95.02489	1.9
97.02984	0.6
99.00886	2.0
101.02436	29.4
103.02879	0.7
103.04034	2.1
113.02448	15.8
115.03972	0.5
117.05640	0.6
117.56310	0.5
119.03487	18.2
122.03580	0.7
125.02502	0.5
130.22731	0.5
131.03391	1.3
135.06633	19.3
143.03516	2.4
149.04547	0.6
150.03094	2.1
161.04567	8.7
163.18732	0.5
179.05598	8.7
193.03683	4.9
207.23158	0.5
215.09280	0.4
237.09785	2.7
297.11929	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1345
Annotation	Tehranolide
Peak:m/z	Relative Intensity
50.16937	1.1
59.01395	13.3
67.07043	1.3
68.11500	1.2
71.01405	1.2
72.99310	12.1
75.00868	100.0
77.07858	1.3
87.26703	1.3
91.85656	1.3
92.65630	1.5
96.81985	1.3
98.01946	1.3
123.04475	1.3
134.03712	1.8
136.05281	1.5
161.09727	1.5
179.10812	1.6
206.09479	6.4
211.06094	1.3
221.11855	9.4
297.13449	66.0
314.60764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03112	0.9
59.01386	8.5
62.53685	0.8
70.76711	1.1
75.96690	1.1
79.95756	1.2
80.92145	1.0
112.29099	1.1
116.92918	1.1
117.02029	1.0
170.00465	2.3
181.78859	1.0
183.01219	72.3
184.01938	1.7
199.07677	1.2
216.00922	1.9
237.09836	1.1
257.37598	1.1
297.15332	100.0
297.20804	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	297.1708
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
51.62964	2.9
52.79716	2.7
53.80804	2.7
57.03469	5.2
59.01386	68.2
63.68835	2.6
63.90660	2.9
64.09071	2.8
69.03466	4.7
69.29831	2.7
70.51768	2.9
73.02941	4.9
77.88963	3.1
81.03455	3.9
83.05022	42.0
97.06612	5.3
109.06596	6.7
113.09688	3.5
115.07655	5.0
125.21222	3.1
129.09218	17.4
135.08148	14.6
137.09833	3.7
137.80841	3.0
141.09198	6.4
155.10822	4.9
178.09906	6.2
181.08701	67.4
181.12273	7.6
183.13945	4.0
204.55911	3.8
211.13409	85.6
217.15945	5.5
223.13408	10.9
235.17015	12.5
279.16013	100.0
297.17007	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	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
63.18184	0.9
74.46927	1.2
81.77295	0.9
87.15491	0.9
141.12856	9.8
151.74928	1.1
155.14421	5.6
228.47145	1.0
249.22253	12.5
295.22821	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	295.2642
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
91.66747	0.7
101.68461	0.7
295.26428	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	297.1134
Annotation	Callosinin
Peak:m/z	Relative Intensity
52.43187	0.9
54.01017	0.9
59.01386	9.3
59.45456	0.9
66.30692	1.0
79.25278	1.1
93.03462	5.4
109.02977	1.8
121.02951	15.8
133.06607	1.5
159.04556	1.9
161.06058	11.6
170.41295	1.2
173.06149	1.7
196.75237	1.1
199.09782	4.6
211.13435	12.6
225.05664	1.8
225.09241	5.6
235.07596	1.5
237.09334	2.8
238.06502	1.4
253.08754	5.4
254.09593	1.4
264.07983	1.7
265.08835	12.9
266.09549	1.9
267.06738	2.1
281.08206	24.5
282.09000	100.0
285.42734	1.1
297.11356	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1132
Annotation	Callosinin
Peak:m/z	Relative Intensity
69.52869	0.4
77.63616	0.4
79.99630	0.5
86.08469	0.4
89.12447	0.5
93.03425	4.5
108.02128	2.9
109.02940	2.3
121.02155	0.8
121.02956	18.1
133.06535	3.3
146.03709	2.0
147.04529	0.9
148.05290	3.1
153.20799	0.5
159.04498	2.8
160.05264	1.0
161.06093	13.4
173.06044	1.0
194.18805	0.6
207.54308	0.5
209.09708	0.7
211.07608	0.8
211.13391	0.5
212.04796	0.8
213.05634	1.2
225.09207	4.4
226.09802	0.6
235.07610	2.2
236.08308	0.9
237.09267	3.8
239.07225	0.9
240.04239	1.2
241.05058	5.0
253.08681	3.9
254.09373	0.7
263.07159	2.1
264.08023	4.0
265.08719	12.6
266.05841	0.5
266.09445	2.0
267.06693	2.3
281.08209	29.7
282.08978	100.0
283.09280	0.8
297.11340	89.1
298.11661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	Kikkanol D monoacetate
Peak:m/z	Relative Intensity
50.13840	5.7
52.66229	6.3
57.00667	5.1
59.01388	37.4
71.86317	5.8
77.71880	6.7
84.68199	6.5
90.74993	5.9
92.10072	8.4
135.08199	8.1
197.82097	7.4
216.51263	7.9
223.17488	6.9
262.55753	7.7
263.16556	98.4
280.16766	10.8
295.19135	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	295.1916
Annotation	10-Deoxymethynolide
Peak:m/z	Relative Intensity
59.01381	30.5
67.80230	3.7
70.96576	3.1
100.99332	4.0
103.37275	3.6
123.08194	4.3
140.17163	4.2
248.90297	5.3
263.16513	85.5
295.19193	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	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.21088	3.9
53.18267	4.2
59.01388	32.2
106.71854	5.6
127.28928	5.0
184.41037	5.5
295.22812	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	295.2279
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.01438	2.3
53.42279	2.8
59.01410	4.0
72.01599	2.7
81.65369	3.0
95.06239	3.0
99.07079	3.1
133.27817	3.3
136.27090	3.3
149.50348	2.9
229.57889	3.4
246.21289	3.1
295.22778	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	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.43702	0.3
54.82907	0.3
57.03455	0.8
59.01392	2.1
61.22771	0.3
97.06593	0.5
113.09710	3.0
144.16560	0.3
171.10231	0.5
177.12761	0.4
179.14447	1.6
195.13922	20.0
213.86606	0.4
227.85733	0.4
277.21738	20.2
295.22812	100.0
296.23306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1703
Annotation	Candidissiol
Peak:m/z	Relative Intensity
59.01394	1.4
68.42332	0.2
81.36272	0.3
85.06606	0.6
92.10240	0.3
97.06615	0.5
157.08681	3.5
183.08136	0.5
196.08754	0.5
197.09726	72.3
198.10114	0.5
199.11307	18.7
209.09747	1.3
225.12851	0.3
239.14453	0.5
265.12341	0.4
277.21680	2.7
279.13745	1.2
280.14642	0.4
295.17038	100.0
295.22681	4.9
296.17334	1.5
300.94034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34805	0.6
55.25040	0.8
59.01390	2.0
60.65396	0.7
64.59406	0.9
67.88025	0.8
78.08508	1.1
83.05043	4.4
85.96358	0.9
92.10100	0.8
97.06606	1.1
99.08161	3.7
101.06084	1.2
111.04524	1.0
112.05315	1.1
120.51190	0.9
151.11308	1.4
165.12946	1.1
167.10770	1.3
167.14406	1.5
168.32077	0.9
181.12312	5.0
211.13397	4.6
221.15544	2.1
233.19215	6.4
240.13687	4.1
250.04576	0.8
259.17062	4.8
267.19598	1.3
277.18109	54.5
295.19162	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	295.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82748	1.0
59.01387	10.0
63.43380	0.9
71.37511	1.2
90.94628	1.0
97.02965	1.2
97.06588	2.6
102.35674	1.0
113.09736	6.0
125.06126	1.1
141.09244	4.5
151.11412	3.5
151.85417	1.0
153.09236	1.5
153.12869	4.6
165.12839	5.2
167.10768	2.0
169.12341	1.3
178.47380	1.0
181.12383	1.3
197.11850	1.9
226.11975	3.7
233.19099	10.6
259.17111	2.5
277.15253	2.1
277.18121	46.4
295.19171	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	5.2
59.01392	100.0
60.99322	5.3
71.01387	43.7
71.05019	1.3
72.99319	2.2
73.02962	6.3
74.38555	1.1
75.00876	12.0
83.01409	2.9
85.02940	13.8
87.00880	5.8
88.98814	35.7
89.02446	57.5
95.01397	1.6
99.00874	2.7
101.02441	23.4
103.00378	2.6
111.00879	1.6
112.98814	7.2
113.02441	16.3
115.00378	23.3
115.04015	2.4
119.03490	11.9
129.02002	1.8
129.03098	1.3
133.05051	2.7
139.53651	1.3
142.99796	1.4
159.02930	1.3
161.04544	5.6
173.00966	1.8
235.08295	1.6
237.06194	2.8
238.34064	1.4
295.10342	81.1
295.13678	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30732	1.4
55.01905	1.4
57.03453	2.3
59.01385	100.0
60.99343	1.8
71.01381	37.2
71.05017	1.4
72.99323	2.4
73.02944	9.3
75.00877	3.3
83.01414	1.6
85.02959	13.7
87.00886	3.2
88.98787	10.7
89.02435	28.5
95.01422	2.2
101.02428	27.0
111.55578	1.4
113.02428	15.7
115.04020	2.1
119.02691	2.0
119.03457	13.4
145.05069	1.9
146.74789	1.3
155.05864	1.5
161.04518	9.6
235.08273	3.0
295.10352	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.134
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
59.01394	4.4
65.49211	0.7
69.87904	0.6
91.94776	0.8
92.10792	2.1
123.47160	0.7
176.78816	0.7
248.04657	1.0
249.03008	1.0
249.05583	30.2
250.06299	1.0
263.07120	4.5
264.07947	9.3
265.08716	86.1
266.09021	0.9
279.10284	47.2
280.11105	0.9
295.13409	100.0
296.13782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62255	1.6
55.01886	3.9
57.03460	2.8
59.01383	100.0
59.84407	1.6
62.72813	1.5
64.32636	1.5
64.39989	1.7
71.01384	54.7
72.99313	2.1
73.02953	10.6
83.01408	3.6
85.02950	20.7
87.00850	7.0
89.02446	33.2
92.10190	2.2
92.66006	1.9
95.01421	1.9
99.00887	3.9
101.02437	32.9
113.02451	22.1
119.03509	10.4
126.34143	2.0
133.08717	2.2
161.04561	15.6
189.51085	1.7
213.32343	2.0
295.10800	2.3
295.14005	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	293.2126
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.56992	0.7
54.33504	0.7
59.57083	0.6
64.27713	0.6
64.58860	0.7
78.20145	0.7
83.04990	0.6
96.96049	0.7
116.14264	0.7
119.21883	0.7
139.11288	4.3
153.12848	3.2
185.18266	0.7
191.18037	4.5
247.20689	1.8
293.21265	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	293.2124
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
54.67691	1.4
58.58506	1.3
59.01377	1.7
71.01415	1.5
72.04240	1.2
87.50940	1.4
99.08161	54.9
115.29126	1.6
120.02135	1.4
168.80045	1.3
192.43674	1.4
193.10872	1.7
193.12360	23.2
220.14693	5.4
221.15405	9.2
236.10521	6.7
256.59634	1.6
265.21582	1.5
293.18314	3.6
293.21231	100.0
306.59970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2488
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01389	5.4
78.52739	0.8
78.79646	0.8
95.66038	0.8
96.96028	2.1
97.75957	0.8
119.60346	0.9
123.86785	0.8
180.47331	0.8
220.14638	3.7
221.15486	9.5
225.69104	0.9
236.10570	5.2
293.04443	0.8
293.24890	100.0
307.26660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94204	0.6
55.55101	0.5
56.46583	0.6
59.01383	0.8
59.64276	0.5
61.78624	0.6
64.44706	0.6
66.08927	0.7
68.99580	0.7
102.92429	0.7
120.60529	0.7
121.57577	0.7
132.72630	0.7
192.11679	0.9
220.14668	3.2
221.15518	4.6
230.11852	0.7
236.10600	3.5
293.24908	100.0
294.25284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1713
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
54.33298	0.7
59.01357	0.9
85.02949	1.0
85.06621	4.0
90.45953	0.8
134.09770	1.4
146.09795	1.9
160.49083	0.8
162.12912	13.8
164.14449	28.7
172.11256	1.8
190.10646	1.9
190.12392	48.2
206.15584	3.9
208.13443	44.6
232.17075	61.1
250.18265	1.9
276.16064	23.9
294.17151	100.0
295.46317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82386	1.8
61.98848	3.6
96.96022	4.2
101.10455	2.2
137.37019	2.7
164.06557	2.4
185.11928	4.0
186.12189	2.7
222.15837	2.6
237.85216	2.2
276.20483	2.1
294.21555	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	294.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75517	1.0
59.01407	2.4
61.70697	1.3
61.98850	1.8
96.96008	7.2
127.11240	6.0
154.13170	1.8
164.80280	1.7
213.14743	1.4
226.52536	1.4
250.22563	2.5
259.33255	1.2
266.22070	27.7
276.20520	11.8
294.18353	6.0
294.21558	100.0
310.27017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60263	0.8
57.05966	0.7
59.97111	0.9
61.56706	1.0
64.64753	0.9
87.15260	0.9
88.86552	1.0
93.71743	1.0
96.96030	14.8
99.08163	1.2
127.11295	9.9
153.12834	1.6
177.12859	1.5
212.34088	1.0
249.22290	1.6
265.21759	32.1
275.20236	12.7
293.18011	10.3
293.21237	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72015	1.4
59.01394	7.3
61.98852	1.9
70.36295	1.4
100.25259	1.9
106.85493	1.6
108.29173	1.8
112.98562	2.3
129.20219	1.7
131.07224	1.7
137.09743	1.9
142.95079	1.7
151.11266	1.6
169.12350	3.5
193.16002	2.6
197.11855	48.0
205.12297	2.0
205.64555	1.7
220.14714	10.8
221.15430	10.7
231.21196	2.1
236.10602	3.6
257.21304	2.4
275.20233	36.7
293.17914	3.8
293.21268	100.0
307.90582	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97067	0.6
59.01388	1.1
61.93438	0.7
64.04851	0.6
83.80778	0.7
179.14368	1.3
195.13907	14.2
196.14687	1.2
207.51485	0.8
223.13402	9.3
256.13168	4.9
275.20187	10.7
293.21265	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.6
58.74880	0.8
59.01386	4.0
64.02904	0.9
80.23590	0.9
96.29775	1.1
113.09712	20.3
114.39178	1.1
139.11293	1.7
149.09688	1.0
167.10797	2.4
195.13869	1.4
247.53719	1.0
249.22246	1.6
275.20319	1.4
293.21252	100.0
294.21432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
68.99590	1.9
71.01375	2.0
103.20040	1.6
136.08923	2.1
169.12378	2.5
193.15997	3.2
197.10193	3.3
197.11850	45.4
220.14632	8.8
221.15483	13.5
236.10490	7.1
257.98471	1.8
275.20206	44.2
293.17889	3.6
293.21243	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45407	0.5
57.03441	0.7
58.86433	0.6
59.03384	0.6
62.33388	0.7
64.33865	0.6
75.40774	0.6
83.50517	0.6
83.86920	0.6
96.95988	2.4
111.44538	0.6
117.13065	0.6
125.09719	4.6
149.09753	1.2
185.11850	11.6
197.11819	3.3
221.15396	0.9
249.22343	0.7
265.21722	0.6
275.20239	0.7
288.39502	0.6
293.18298	3.8
293.21259	100.0
296.02567	0.6
311.93515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19952	0.2
57.38483	0.2
71.01379	4.3
74.93156	0.2
74.94913	0.2
82.46157	0.2
85.33759	0.2
103.38336	0.2
127.07659	0.4
148.05359	1.5
149.06073	0.2
151.07616	0.3
161.86618	0.2
164.08429	1.5
165.09229	0.2
176.30272	0.2
177.07816	0.4
177.09216	6.4
178.11230	0.2
190.10017	0.3
192.09805	0.3
192.11588	8.2
193.35330	0.2
205.12357	10.3
207.13890	0.7
213.23518	0.2
217.08725	0.3
218.09442	2.0
220.14713	55.0
221.15491	100.0
222.15829	1.2
230.01784	0.2
235.13446	0.3
236.10562	49.8
237.11057	1.0
289.32977	0.2
293.17609	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	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17387	0.5
53.37186	0.4
54.82938	0.5
55.01810	0.5
57.14474	0.5
59.01377	0.7
63.38388	0.4
73.47285	0.7
74.67539	0.6
76.00158	0.6
79.95735	2.2
82.86144	0.5
83.80134	0.5
86.00074	0.5
89.71173	0.6
92.37489	0.5
96.96008	100.0
102.37906	0.5
121.45130	0.7
166.07947	0.6
189.10320	0.5
191.04918	0.6
199.17155	0.8
220.14740	2.6
221.15550	4.4
236.10609	2.8
293.18033	67.0
293.21307	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55944	0.5
53.08320	0.5
53.98373	0.6
57.21451	0.6
59.01381	0.9
82.48112	0.6
92.08403	0.7
106.75886	0.6
150.10500	1.4
165.12860	2.8
177.78610	0.6
193.16119	0.8
220.14693	2.4
221.15494	5.5
236.10535	2.8
249.22304	7.4
293.21252	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
58.73464	0.8
59.01383	64.6
62.36317	0.7
67.06006	0.9
71.01376	25.2
72.99300	1.4
73.02956	1.2
74.02499	1.6
83.01410	1.6
83.97820	0.9
85.02949	5.9
85.06586	22.4
87.00877	1.7
89.02448	27.5
100.00416	1.6
101.02444	16.8
113.02471	10.1
113.06103	5.0
115.07634	4.3
119.03504	8.5
131.07132	81.7
132.06357	1.1
148.06271	3.7
160.07610	1.1
161.61064	0.9
176.39732	1.1
210.55348	1.1
269.23462	1.1
293.12466	100.0
307.12366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25963	0.4
52.06841	0.3
52.62517	0.3
59.01378	12.7
60.83747	0.3
67.42665	0.4
76.07994	0.4
89.37068	0.3
96.95939	0.4
114.30680	0.4
115.47366	0.4
124.14510	0.5
139.55649	0.4
142.89694	0.4
165.12837	1.9
167.14381	0.6
183.13882	10.3
183.22449	0.4
186.48479	0.4
189.10147	0.4
193.12370	3.2
211.13417	100.0
233.11572	13.0
275.16568	2.3
293.13757	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	291.1968
Annotation	12-OPDA
Peak:m/z	Relative Intensity
58.74840	1.4
64.26437	1.1
67.04354	1.2
77.16037	1.2
99.34615	1.4
101.57159	1.3
121.33245	1.3
165.12842	26.8
176.12048	1.8
247.20618	9.5
273.18643	8.2
291.19699	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	291.1969
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.16645	1.9
59.01380	3.8
69.16902	2.2
71.01395	3.1
71.47020	2.3
79.76987	2.1
84.32542	2.3
84.91158	2.3
97.06584	100.0
97.07198	3.6
115.11379	2.6
116.92886	9.1
119.91763	2.7
121.02959	3.3
177.69659	2.7
193.12323	23.4
209.04662	4.4
211.13420	56.6
263.20016	3.2
273.18549	3.3
291.19678	99.3
313.45056	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	291.2332
Annotation	Grevillol
Peak:m/z	Relative Intensity
54.64502	1.0
54.82890	1.2
61.98852	1.7
76.04961	1.2
76.62401	1.3
94.73610	1.7
102.52697	1.3
116.92877	3.4
127.87870	1.3
131.83255	1.4
170.16597	1.4
291.20325	3.6
291.23331	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	292.192
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.30571	0.4
56.73132	0.4
57.46483	0.4
58.02985	1.9
58.88881	0.4
59.01400	0.6
61.06414	0.4
61.98806	0.5
63.90070	0.7
64.61149	0.5
65.00397	0.4
66.57162	0.5
69.67467	0.4
74.34245	0.5
85.37019	0.4
118.53156	0.5
156.13940	100.0
168.09460	0.5
187.34222	0.5
200.12968	3.9
292.19839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67656	0.4
57.09319	0.5
58.02971	0.6
59.28140	0.5
59.82324	0.5
104.55484	0.5
112.94836	0.5
156.13943	100.0
200.12920	4.6
221.15479	0.9
257.55643	0.6
292.19678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86333	0.3
59.01386	100.0
61.98837	2.4
63.98974	0.3
85.02950	0.5
86.44913	0.3
95.47072	0.3
96.95987	0.3
158.14943	0.4
229.18092	0.6
239.12932	0.8
305.90515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67813	0.1
60.60471	0.1
61.98832	100.0
64.34693	0.1
116.58142	0.1
117.21262	0.1
147.99976	0.1
160.91882	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22143	3.0
51.19662	3.0
57.03467	21.2
58.07819	3.1
59.01402	3.0
105.85960	3.1
116.92831	5.0
121.02950	7.8
197.15668	4.0
291.19678	100.0
312.60019	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29660	5.1
59.01378	8.7
70.01726	4.7
93.88396	5.4
121.02946	9.7
121.10256	22.6
185.11806	21.9
231.10664	6.2
262.09943	5.8
291.19681	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39184	1.1
59.01383	5.4
62.65197	1.0
92.10076	2.2
119.04945	1.1
125.09748	8.5
127.11279	4.9
138.95662	1.1
153.12816	1.5
171.63596	1.2
211.13347	1.2
224.92122	1.3
229.19656	1.6
245.18944	1.3
247.20615	11.3
263.20142	27.6
273.18579	27.6
291.19687	100.0
301.88596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20664	2.3
59.01394	2.5
68.99839	2.8
96.96265	2.5
100.21381	2.8
103.27092	3.1
160.08942	14.8
209.15536	2.6
233.15457	86.7
289.18091	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	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60797	1.9
52.27462	1.9
57.57448	1.9
59.01384	4.3
59.58517	1.9
60.89067	2.0
76.71484	2.1
109.06609	16.5
176.38770	2.7
232.11368	2.4
245.19009	3.9
287.16531	3.5
289.18076	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	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78602	0.8
52.55747	0.7
54.82753	1.0
59.01382	12.9
71.01379	1.1
80.02683	1.8
80.59023	0.8
93.03466	1.1
95.05027	5.4
109.06600	3.7
112.10673	0.9
119.08685	0.9
121.06609	1.7
125.20319	0.7
144.65797	0.8
145.06613	1.1
147.08174	6.4
148.08977	1.5
149.09833	1.6
150.10500	1.9
157.74565	1.0
163.11299	100.0
165.12833	5.4
173.09743	1.4
177.12914	1.4
189.12869	1.3
191.14439	58.6
199.18817	1.1
217.15945	10.2
222.88770	1.0
244.65240	0.9
245.19119	38.4
271.17148	7.8
289.18121	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
54.64576	1.3
57.03458	15.0
59.01400	2.7
59.21348	1.3
66.50357	1.5
69.03470	2.6
71.01376	1.9
71.23169	1.3
74.72897	1.5
75.00874	3.2
75.48923	1.3
81.03456	14.2
83.01398	13.9
83.05049	1.9
85.67109	1.6
93.03461	7.0
95.01378	2.3
95.05021	15.5
95.98862	1.4
97.02940	27.7
99.00881	3.3
108.02193	2.9
109.02949	94.0
121.02945	13.2
122.03763	3.5
123.04522	75.7
125.02431	51.8
133.02995	1.7
135.03011	1.5
135.04494	11.0
137.02440	31.6
138.03250	1.7
139.03976	15.1
145.03006	6.1
146.03748	3.5
149.02473	17.1
150.03235	7.5
151.04018	29.8
153.09090	1.5
159.04524	11.7
160.05252	6.6
161.02463	7.3
161.06084	14.5
162.03224	5.8
163.04016	3.3
164.01147	11.5
165.01907	9.6
171.06615	2.6
171.10271	2.3
173.06068	3.5
175.03987	6.4
175.07603	7.3
179.03545	15.9
187.03987	12.6
188.04800	12.0
197.08200	2.6
201.05606	3.6
202.06418	7.4
203.07172	35.6
205.05092	16.4
208.99081	7.6
212.04858	2.0
213.76175	2.1
221.08170	12.6
227.07169	3.8
245.08206	41.4
247.06148	2.0
253.07349	2.9
289.07202	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	289.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.2
58.00588	3.2
59.01391	16.1
60.33544	1.2
71.01378	3.2
75.00861	1.5
85.02949	8.2
87.00877	100.0
95.05031	3.5
96.96001	22.2
97.06572	13.2
99.08155	2.7
107.05030	8.5
108.02090	1.8
111.00877	7.1
111.08173	6.3
112.01655	1.5
114.87476	1.3
116.47572	1.5
121.06575	2.0
123.04504	2.5
125.06106	6.9
127.07658	13.0
129.01913	12.5
137.06091	1.7
139.07646	20.6
146.42009	1.7
147.02989	10.3
149.06071	8.3
155.07149	32.1
160.97646	2.0
167.07143	22.3
174.01666	1.4
175.02478	2.1
189.28329	1.6
191.01947	1.7
191.05693	1.9
202.98782	8.4
227.09198	3.7
236.20119	1.4
261.07715	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81898	0.6
53.48359	0.7
55.16837	0.6
57.03466	3.3
58.00603	1.5
59.01380	10.1
60.42164	0.6
61.53600	0.7
65.57485	0.7
69.48396	0.8
69.95670	0.8
71.01397	3.5
72.99316	1.4
78.95896	1.0
84.02181	1.7
85.02975	4.3
87.00874	100.0
89.75385	0.7
95.01418	1.0
95.05031	4.2
96.96004	14.0
97.06593	10.6
98.03763	1.5
99.08160	5.3
107.05027	6.8
108.02151	0.9
109.06605	0.8
111.00901	5.6
111.08177	4.8
113.06155	0.8
121.06635	1.1
123.04552	3.2
123.08145	1.1
124.01641	1.0
124.05316	1.2
125.06100	4.8
127.07652	13.8
129.01952	8.6
129.09215	0.8
137.06087	1.5
139.07660	22.2
142.95549	0.9
147.03023	5.9
149.06097	6.5
151.07634	3.3
155.07159	26.7
160.04024	0.8
160.97717	1.1
167.07138	19.4
191.02011	1.4
191.05653	0.9
194.22028	0.8
202.98787	4.2
209.08353	0.8
227.09315	5.6
293.91150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.01812	0.2
61.98832	100.0
64.48971	0.2
76.40434	0.2
91.07025	0.2
92.10073	0.3
145.07268	0.2
183.10078	0.2
227.54446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.2
67.01899	0.3
71.01406	0.9
76.57066	0.2
78.60861	0.2
78.95908	4.9
78.96318	0.3
79.95744	1.3
85.02955	2.9
87.00883	4.9
87.83019	0.2
92.10147	0.5
96.96014	100.0
96.96912	7.6
111.00889	13.3
114.93463	0.2
115.00375	0.8
124.98850	0.3
129.01936	0.5
133.42261	0.2
134.53592	0.2
142.99876	3.2
168.31108	0.2
173.00934	2.0
191.01994	9.6
191.05621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62596	0.2
57.03467	0.3
57.08799	0.1
59.01388	2.6
64.34163	0.2
71.01390	0.8
72.12960	0.2
72.99319	0.2
73.02965	0.2
73.06511	0.2
73.13582	0.2
78.95900	4.1
81.03466	0.2
83.05040	0.2
85.02953	17.3
87.00873	6.1
87.01366	0.3
91.56797	0.1
92.10738	0.2
93.03459	1.9
96.96010	5.1
96.96955	4.8
99.04530	0.3
101.02444	0.2
109.02954	1.1
111.00925	0.4
111.04489	0.7
117.00381	0.2
127.04018	5.9
141.00496	0.3
145.05064	0.8
150.80440	0.2
155.03481	0.2
171.03003	0.9
173.04561	3.1
191.05629	100.0
192.05925	0.8
273.43985	0.2
277.61069	0.2
289.03833	0.3
304.81958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1863
Annotation	2,3-dicaproin
Peak:m/z	Relative Intensity
52.54134	0.8
54.82842	1.3
57.03446	4.3
59.01385	4.0
64.09367	0.9
71.04992	1.1
97.06570	1.0
99.08159	2.4
102.97251	1.2
113.09744	1.3
128.18488	1.1
180.68950	1.0
207.17587	43.0
207.85179	1.3
225.18549	4.2
234.89825	1.0
251.16539	34.1
251.19157	1.3
269.17603	29.7
287.18658	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	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
50.81329	1.0
51.77980	0.9
62.21172	1.0
78.25980	1.1
114.55008	1.2
170.00365	1.2
174.11322	1.3
200.06299	1.1
213.39490	1.2
223.20691	6.5
269.21225	100.0
270.21457	1.3
287.22260	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	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
52.50034	0.3
54.60394	0.4
54.82280	0.4
55.09168	0.4
59.01385	1.0
65.47554	0.4
103.96181	0.5
112.17015	0.5
113.09731	1.0
127.11255	3.6
141.12856	0.6
143.10727	0.7
232.62108	0.5
241.21732	2.1
269.21161	2.8
285.20856	0.9
287.22299	100.0
288.22656	0.9
308.88531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.5
66.16769	3.4
68.99590	5.1
69.03460	4.4
84.50128	3.1
87.00890	14.4
92.10799	3.5
94.24640	3.6
96.96959	5.3
111.00880	26.8
115.57495	3.3
116.92839	5.5
125.02440	100.0
126.98840	5.3
135.63739	3.4
168.99927	13.2
205.03639	7.5
287.09018	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	287.1654
Annotation	4-hydroxyestradiol
Peak:m/z	Relative Intensity
57.77791	2.8
59.01390	8.0
61.98857	3.2
71.37521	3.5
79.35401	2.8
80.21922	2.9
100.77095	4.1
105.91943	3.6
117.07105	45.6
121.06561	4.5
137.36931	3.3
147.08232	6.2
149.52771	3.9
160.08961	6.8
187.15002	3.7
231.13826	12.0
237.32396	3.5
248.42558	3.7
287.16559	100.0
287.19562	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	287.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76707	1.1
57.84013	1.0
58.17561	1.1
59.01385	7.9
59.12826	1.2
65.03963	2.8
69.51820	1.2
74.86851	1.3
88.49442	1.4
91.05543	2.3
92.10268	2.1
105.07080	2.0
109.41674	1.3
121.06590	15.5
135.04558	3.0
147.08159	10.8
158.07318	2.0
160.08977	14.4
168.57291	1.3
171.08156	5.2
173.09714	2.3
185.09686	2.4
186.10500	6.9
187.14861	12.4
199.11302	1.5
204.75085	1.3
231.13939	30.1
243.17538	8.8
272.10654	1.5
287.05563	1.8
287.16537	100.0
296.44839	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	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
53.19919	0.3
55.81026	0.3
57.03451	17.1
59.01395	0.5
59.02605	0.4
63.02396	6.9
65.00324	11.2
65.00641	0.6
68.99835	0.6
70.29647	0.4
78.64345	0.4
81.03439	4.3
83.01389	14.2
83.01885	0.5
93.03452	2.8
95.01351	0.6
107.01393	10.5
107.05004	1.4
109.02302	0.4
109.02953	2.8
111.00882	0.7
116.72376	0.4
117.03426	0.6
119.05006	0.6
121.02925	1.9
123.00897	0.6
123.04530	2.9
124.01658	4.4
125.02437	100.0
130.04243	0.7
131.05032	2.9
133.02936	4.0
134.03740	3.0
135.04517	3.5
137.02461	0.9
145.02960	0.6
145.06622	0.4
147.04582	0.5
149.06087	0.9
150.99159	0.7
151.00368	17.2
152.01163	10.9
152.82166	0.4
153.01956	4.3
155.05101	0.6
156.05788	1.5
157.06583	2.5
158.03688	0.6
159.04526	1.9
165.01862	0.5
169.01308	0.5
172.05269	2.1
173.06053	6.2
175.04070	0.6
176.01073	0.8
177.05579	19.7
178.99849	4.6
187.07736	0.4
195.86595	0.4
197.11787	0.7
199.04010	0.5
199.07640	1.9
200.04759	0.5
201.05582	9.7
203.03511	0.9
213.05577	2.5
215.07097	5.4
219.06606	2.0
225.05678	0.7
241.05093	2.8
243.06606	11.0
249.11417	0.7
259.06125	59.5
268.74707	0.4
269.04620	3.4
287.05630	43.2
307.86917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.46422	0.5
59.01368	0.7
61.98842	2.1
63.38576	0.4
70.02979	0.9
74.06124	1.1
83.17411	0.4
92.10671	0.6
103.25114	0.4
115.92969	0.5
118.05148	0.8
123.86437	0.4
126.34244	0.5
153.54391	0.4
240.23274	3.2
242.21292	2.9
242.24982	0.4
268.22693	1.1
286.23904	100.0
287.24191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20321	1.7
59.01389	49.2
78.95921	3.4
96.45198	2.0
96.96935	2.9
102.98923	2.0
115.02573	2.4
117.00449	100.0
144.99947	68.6
159.01501	63.2
187.01004	24.8
217.00618	8.9
244.02866	2.1
258.99820	1.8
259.01697	26.8
287.01154	40.7
303.85248	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	287.0563
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03473	0.2
57.99551	0.1
59.01391	1.5
63.02402	2.9
64.82369	0.2
65.00331	12.1
65.70484	0.1
67.49990	0.1
81.03471	0.2
83.01395	5.9
107.01394	15.3
107.05027	0.7
108.99306	0.2
109.02958	2.8
117.03465	0.2
125.02459	2.3
133.02951	0.3
134.03725	2.6
135.04529	100.0
136.04857	0.2
137.02510	0.4
151.00377	52.5
152.00714	0.3
154.94739	0.3
161.02432	0.4
165.01945	0.6
169.01454	1.5
177.01939	0.7
191.10808	1.3
221.11862	0.4
249.11369	1.0
269.04523	0.3
270.52200	0.2
287.05627	9.0
287.13031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2435
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.13308	0.2
59.01382	0.6
92.10622	0.3
131.05324	0.2
132.00876	0.3
239.23824	6.5
267.23297	1.4
283.22784	1.5
285.24371	100.0
286.24655	1.3
305.20572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25675	0.2
53.84171	0.2
55.83637	0.1
56.53839	0.2
57.05713	0.2
59.01386	6.0
60.01722	1.2
61.01817	1.3
61.98837	100.0
63.68938	0.1
79.75768	0.2
83.32394	0.2
94.78107	0.2
97.85513	0.2
150.05615	0.7
159.20485	0.2
171.87704	0.2
177.36292	0.2
180.11223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.62051	1.4
52.30684	1.5
55.01884	1.5
59.01395	9.4
59.68987	1.7
60.53679	1.3
61.98832	2.7
63.35432	1.4
69.03460	4.2
71.05019	12.4
72.99306	62.0
72.99689	2.8
104.81062	1.7
221.19193	2.9
223.20706	100.0
228.91592	1.8
230.39601	1.7
267.19666	98.3
285.20752	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.19002	0.3
56.54578	0.3
57.03458	0.7
59.01394	0.7
60.32387	0.3
63.40112	0.3
78.58674	0.3
80.02519	0.4
141.49194	0.3
183.32793	0.4
221.19217	0.7
223.20705	88.7
224.21161	0.4
241.21779	2.1
248.17427	0.4
267.19687	52.0
285.20746	100.0
286.21179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2436
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.78768	0.4
53.20701	0.5
55.01888	0.7
59.01374	0.5
61.12449	0.4
67.98202	0.5
71.52466	0.6
84.58616	0.5
85.14585	0.5
95.90919	0.5
99.46116	0.5
111.44246	0.5
117.32449	0.6
119.00920	0.5
148.87260	0.4
153.94009	0.4
211.20668	1.9
221.15099	0.5
225.25143	0.5
235.20607	0.9
237.22253	6.8
237.47090	0.6
238.74380	0.6
239.23822	84.9
240.24194	0.6
267.23328	2.1
285.24380	100.0
286.24817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05554	0.2
59.01384	100.0
62.88097	0.3
63.22678	0.3
65.62561	0.3
88.65157	0.3
92.10818	0.6
92.65878	0.4
93.18073	0.3
111.21008	0.3
237.98740	0.3
239.35226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01645	0.8
59.01395	6.7
65.43761	1.0
73.80148	1.0
84.84772	0.8
86.89468	0.9
121.02969	6.3
135.04532	3.5
163.03970	4.3
167.14432	1.3
182.83519	1.0
183.13860	8.6
193.12355	1.8
196.09099	1.1
211.13428	100.0
270.05469	1.4
270.75479	1.0
285.07773	7.7
285.20718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.62455	1.2
59.01386	14.0
60.01739	1.7
61.98828	2.2
62.74369	1.3
64.09399	1.6
69.08037	1.9
70.38096	1.5
71.05026	1.7
78.95898	2.9
88.69417	1.4
97.06595	6.7
99.08151	3.0
113.09724	2.8
127.11274	2.9
133.52487	1.6
141.12891	3.4
192.88815	1.8
197.60373	1.6
219.07895	1.5
221.19206	2.5
251.83923	1.6
265.18198	2.6
270.88193	1.8
285.20746	100.0
285.23911	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	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03450	1.3
59.01386	1.2
71.05019	0.3
78.31443	0.3
78.95902	0.4
97.06587	0.7
119.85175	0.3
121.32211	0.2
125.09786	0.3
139.11314	3.0
141.12842	0.6
152.35452	0.3
155.14398	3.0
167.14386	0.3
170.71820	0.3
174.57727	0.3
183.50139	0.4
196.03001	0.3
211.20682	1.0
221.19099	1.3
232.27972	0.3
233.77945	0.2
239.20114	1.3
241.21568	1.1
241.23825	0.3
265.18134	0.4
267.19714	1.4
277.16815	0.3
285.20731	100.0
286.21152	0.7
300.79028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0408
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01387	9.4
63.02405	2.1
63.21805	0.2
65.00328	5.0
69.95827	0.2
79.01893	0.3
83.01386	3.6
95.01385	0.5
97.06573	0.4
105.03465	1.0
107.01398	7.2
109.02969	1.2
117.03493	0.3
119.04986	0.4
121.02942	1.8
125.02435	0.4
132.02144	0.5
133.02957	25.8
135.00954	0.3
135.04532	5.7
141.07098	0.4
143.05038	1.4
145.02940	0.6
145.06488	0.3
147.04535	2.3
149.02444	3.6
151.00388	10.2
155.05011	0.3
157.02991	0.4
157.06609	1.1
159.04518	1.4
161.02435	1.1
161.06100	0.5
161.14757	0.3
165.01782	0.3
167.05016	1.1
169.01413	0.3
169.02863	0.2
169.06534	0.4
170.03751	0.4
171.04506	2.4
173.02353	0.5
173.06041	1.0
174.03194	0.9
175.04018	5.1
177.01952	1.6
183.04565	0.4
184.05333	0.3
185.06104	3.2
187.03963	1.0
189.05574	1.9
190.06381	0.4
195.04494	1.1
196.05347	0.3
197.06082	0.6
198.03246	1.4
199.04045	6.1
201.01990	2.1
201.05537	0.4
211.04108	2.1
212.04831	0.9
213.05629	2.5
215.03499	1.6
217.05049	2.1
220.07494	2.0
227.03592	1.1
229.05084	3.1
235.33559	0.2
239.03542	1.4
240.04231	0.3
241.05165	2.0
242.02234	0.4
243.03105	1.0
249.11345	5.6
256.03857	0.4
257.04620	2.7
267.03009	1.1
268.03778	0.5
284.03165	0.3
285.04086	100.0
286.04437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15075	0.3
54.83039	0.3
55.89054	0.2
59.01379	1.7
78.95896	46.6
96.96953	100.0
99.88557	0.3
116.92770	0.4
149.06059	0.4
152.91783	3.5
153.16612	0.3
161.98749	0.3
167.49451	0.3
194.92654	0.5
285.07574	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	285.09
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03108	1.6
57.68434	1.6
59.01377	13.8
65.00343	2.3
132.81631	1.6
133.02954	14.2
135.04433	2.0
138.69478	1.5
151.00394	3.2
162.06911	9.5
163.11284	2.0
191.03578	1.8
191.10788	100.0
211.13365	8.8
217.05066	1.7
221.11838	39.6
249.11331	85.0
285.04089	33.3
285.12582	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	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43173	0.3
54.82936	0.3
59.01382	100.0
61.98817	0.4
62.10284	0.3
67.17558	0.3
81.06574	0.3
91.36564	0.3
95.44610	0.3
98.05444	0.4
101.89733	0.4
107.05143	0.3
132.13535	0.3
156.67291	0.3
220.07397	0.8
249.11320	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	283.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22788	0.3
52.77968	0.3
54.25339	0.2
55.85895	0.3
57.03452	1.5
59.01379	10.0
66.57800	0.4
68.12322	0.3
76.31397	0.3
92.66528	0.3
97.06593	1.3
111.08164	1.8
113.09727	1.5
123.08157	0.8
123.86541	0.3
125.06081	0.5
125.09725	6.4
127.11311	3.5
129.09242	2.5
141.09241	3.9
143.10757	1.7
153.09225	3.2
153.12857	1.3
155.10783	1.5
164.18570	0.3
169.08722	1.5
169.97029	0.3
171.10307	2.0
193.15919	0.4
199.09885	0.4
200.10579	2.0
201.02548	3.1
211.20772	0.6
219.17589	0.4
221.19164	4.8
237.18654	2.1
239.20200	2.2
247.17073	2.2
255.19585	0.5
265.18124	10.0
283.19177	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	283.1916
Annotation	Koninginin C
Peak:m/z	Relative Intensity
58.00599	24.0
59.01386	14.3
60.13985	0.6
69.03474	0.8
71.01412	0.9
72.73227	0.8
73.02945	1.8
76.57552	0.7
80.02728	0.7
92.77187	0.7
97.61133	0.7
109.06580	3.1
124.05379	0.8
127.07624	8.3
133.91797	0.9
141.12836	1.0
155.10788	46.8
167.10715	4.3
185.11836	11.3
195.10277	2.0
201.02596	5.2
213.11383	9.6
247.17014	1.6
260.04007	0.8
265.18124	11.5
283.19159	100.0
283.26233	3.9
283.56766	0.9
284.19669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.228
Annotation	2-Methoxy-5Z-hexadecenoic acid
Peak:m/z	Relative Intensity
56.48577	0.4
59.01386	4.9
61.98846	0.5
63.05276	0.5
83.05022	0.6
96.17759	0.5
111.46099	0.5
201.02547	0.6
221.68147	0.7
235.20673	1.0
237.22263	45.0
265.21771	2.3
270.63608	0.6
277.56256	0.6
281.21179	0.9
283.22821	100.0
283.26428	45.4
284.23282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2279
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
55.40932	1.0
59.01391	13.9
61.98854	1.0
72.88348	0.9
77.80506	1.0
84.17558	1.0
90.85663	0.9
91.07982	0.9
115.07014	0.9
118.96919	1.3
189.09927	1.1
201.02608	4.2
237.22360	0.9
265.21783	1.8
283.22797	100.0
283.26413	63.3
284.23138	1.2
302.22708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
54.30996	0.5
57.03456	0.6
59.01381	1.3
63.02392	4.1
65.00322	9.3
65.55199	0.5
65.61082	0.5
74.57163	0.5
76.73235	0.6
79.70972	0.6
83.01389	5.4
95.01395	0.7
105.03467	0.7
107.01404	7.0
107.05051	0.8
108.02187	0.6
117.03540	0.6
119.05030	3.4
121.02991	2.3
124.01618	0.6
125.02426	1.2
131.04994	1.1
133.02956	31.9
135.04517	6.9
143.05003	3.9
145.02965	3.3
146.03716	2.8
147.04565	8.0
149.02444	3.7
151.00368	8.9
153.05531	0.6
155.05042	5.7
157.06647	0.6
159.04515	1.1
161.02415	3.1
161.06081	3.4
162.03276	1.1
169.06593	1.1
171.04506	3.9
173.06133	0.8
174.03227	2.4
175.03986	18.2
177.01962	0.9
185.06116	4.6
187.04036	4.5
188.04797	3.6
189.05566	14.4
190.06306	1.3
191.10794	3.0
195.04515	1.4
197.06154	0.7
198.03238	3.3
199.02339	1.0
199.04031	16.8
201.01936	1.4
211.04083	1.1
211.13203	0.7
213.05632	5.1
215.03525	3.6
215.94255	0.7
217.05122	5.4
217.08717	3.1
218.05876	10.0
221.11772	0.8
221.49028	0.6
222.05385	1.1
229.05061	1.0
239.03581	1.0
241.05070	3.8
243.02946	1.1
247.09782	18.1
249.11227	2.7
257.04605	11.6
285.04068	100.0
286.04391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.1
59.01379	2.9
77.59320	0.3
92.10777	0.6
97.06601	1.2
99.08188	0.6
99.98695	0.3
109.21236	0.3
111.08147	0.6
113.09737	3.0
115.07674	2.1
127.07688	0.7
128.08461	1.2
137.09711	0.6
139.11299	5.2
141.09291	0.4
152.67007	0.3
155.10799	5.5
157.12315	0.5
167.10783	9.3
167.12254	0.3
179.16731	0.3
183.10272	1.2
185.11821	2.0
201.02643	0.5
211.20753	0.4
213.11423	0.4
214.12170	0.5
221.19113	1.9
237.18629	1.9
239.20204	0.7
247.16893	0.6
255.19746	0.6
265.18118	11.0
283.19177	100.0
284.19614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	5.4
57.44051	0.9
58.00609	1.1
58.30587	1.0
59.01387	31.8
64.71479	1.2
69.03486	1.2
70.45403	1.0
71.01389	2.1
73.16119	1.1
83.04991	1.0
91.94461	1.1
99.08170	6.1
103.45425	1.1
103.54824	1.1
105.73569	1.1
109.06603	1.2
111.08173	1.5
113.09732	9.3
121.10218	7.0
123.08165	2.5
126.31443	1.2
129.09221	11.1
139.11275	13.0
141.09230	7.9
147.08000	1.2
149.13445	1.4
153.09201	12.0
155.10782	7.1
165.09213	2.2
169.08746	9.5
171.10313	2.8
175.14877	1.3
183.10272	36.6
201.02495	8.5
203.18025	8.2
221.19225	2.7
247.16823	2.9
265.18103	20.9
283.19165	100.0
283.26315	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	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18931	1.7
51.03041	1.9
53.42482	1.6
56.77057	1.6
59.01384	78.7
63.02394	2.2
65.00333	2.6
76.86105	1.8
78.81705	2.1
82.43702	2.3
83.05029	2.6
105.85741	2.0
111.00399	2.1
117.03444	2.7
151.00388	4.8
163.11327	3.5
165.12737	3.3
182.03818	2.4
183.04486	9.8
188.34859	2.0
201.02588	9.4
204.03270	2.1
205.48811	2.4
209.11847	100.0
235.61465	2.2
255.00447	4.3
255.03018	99.7
255.05692	3.3
270.83374	2.4
283.02499	36.2
283.26331	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	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18931	1.7
51.03041	1.9
53.42482	1.6
56.77057	1.6
59.01384	78.7
63.02394	2.2
65.00333	2.6
76.86105	1.8
78.81705	2.1
82.43702	2.3
83.05029	2.6
105.85741	2.0
111.00399	2.1
117.03444	2.7
151.00388	4.8
163.11327	3.5
165.12737	3.3
182.03818	2.4
183.04486	9.8
188.34859	2.0
201.02588	9.4
204.03270	2.1
205.48811	2.4
209.11847	100.0
235.61465	2.2
255.00447	4.3
255.03018	99.7
255.05692	3.3
270.83374	2.4
283.02499	36.2
283.26331	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01385	7.5
62.10793	0.6
65.14181	0.6
68.46189	0.7
81.14336	0.6
101.15654	0.7
104.72932	0.7
105.55648	0.7
107.05032	89.9
108.02270	0.7
119.03709	0.7
143.86705	0.7
152.01334	0.6
162.16745	0.7
163.11290	100.0
197.76892	0.8
201.02594	3.7
214.58917	0.7
283.17072	55.3
283.22836	19.4
283.26450	43.2
284.17465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11502	0.7
59.01390	5.2
60.33539	0.7
64.44798	0.7
71.05041	1.0
74.89093	0.8
76.65182	0.7
83.05070	0.8
85.47083	0.8
95.05019	2.9
97.06582	12.1
113.09753	0.9
113.82082	0.8
125.09686	0.9
129.09248	0.8
135.08156	8.1
139.11290	6.0
141.12910	1.6
147.47699	0.7
154.09996	1.6
165.12799	3.6
167.10788	8.1
167.14417	6.6
168.11522	2.8
185.11835	1.3
187.37979	0.8
191.14471	1.1
193.15981	0.9
221.19156	12.7
247.16995	1.5
249.40594	0.8
262.05853	1.1
265.18109	100.0
283.19171	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34316	0.5
59.01383	100.0
66.59197	0.6
68.02839	0.6
76.57797	0.6
77.83249	0.6
82.03246	0.6
92.04501	0.5
108.19682	0.6
115.02457	0.7
157.03581	5.6
159.01498	5.8
162.69771	0.7
201.02570	72.7
202.02821	0.8
219.95482	0.7
261.66989	0.6
283.26367	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	283.1551
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
56.01273	1.0
57.03450	4.8
58.26371	1.0
59.01382	66.7
61.34243	0.9
69.03462	4.5
70.32275	1.1
71.01390	1.3
71.67667	1.0
74.82849	1.1
78.63906	1.2
79.59166	1.1
86.02307	1.2
110.28121	1.3
121.07796	1.1
145.08760	1.0
167.10764	7.6
179.10843	1.9
179.14383	8.0
195.13928	18.9
201.02548	7.6
201.99028	1.2
205.12387	15.5
221.15463	41.2
223.13417	100.0
239.16557	42.5
265.14432	11.2
283.15533	91.0
283.26437	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22122	0.2
59.01389	100.0
59.53777	0.2
60.01741	0.2
73.24296	0.2
87.46574	0.2
116.13052	0.2
143.55217	0.2
147.22107	0.2
161.09734	0.4
193.08766	0.2
283.15323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1553
Annotation	Hysterone D
Peak:m/z	Relative Intensity
54.33092	0.2
59.01391	100.0
63.85097	0.2
65.88805	0.2
71.34309	0.2
78.76998	0.2
91.05650	0.2
92.10207	0.3
129.45773	0.2
149.09756	0.6
151.11241	0.3
164.08447	0.3
179.10785	8.7
206.75781	0.2
255.61388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01384	100.0
79.68752	0.2
81.98138	0.2
88.22001	0.2
94.99945	0.3
149.09720	0.5
179.10789	5.7
183.75179	0.2
197.79602	0.2
201.02667	0.4
223.13451	0.3
283.26465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2123
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
58.69596	1.1
59.01389	5.5
74.97197	1.2
76.57361	1.3
92.10757	2.8
99.08149	2.1
113.09803	1.8
115.07646	2.1
127.07641	13.9
128.08450	13.2
129.09201	2.5
139.11331	1.7
143.10788	6.2
153.12862	8.3
160.07471	3.2
182.10516	1.3
253.21729	1.5
263.20178	1.7
281.21249	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	281.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10484	2.7
57.86024	2.9
59.01395	26.7
70.40785	2.7
71.01400	3.5
119.25705	3.4
127.07678	6.2
128.08421	6.3
143.10773	4.4
151.65782	3.4
153.12881	3.8
195.78503	3.4
198.14984	3.5
207.40215	3.0
263.16650	3.4
263.20065	6.2
281.21225	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	282.0845
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.76365	0.3
57.60941	0.3
59.01393	1.3
60.37715	0.2
66.00970	0.4
68.27393	0.3
71.01391	0.3
71.70331	0.3
72.86301	0.3
73.25372	0.3
82.04133	1.3
85.02943	0.3
92.10192	0.3
96.96988	0.4
101.02394	0.4
101.93692	0.3
107.03642	5.0
108.02045	8.6
119.22694	0.3
124.44375	0.3
124.89132	1.4
126.03085	11.2
133.01556	40.9
150.04218	100.0
151.02597	0.4
162.06525	0.3
280.23782	0.4
282.08453	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	283.0248
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
59.01382	16.6
63.02402	0.8
65.00346	2.6
71.81358	0.4
77.13386	0.4
80.32919	0.5
84.07045	0.4
90.87868	0.4
103.01894	0.9
107.01414	3.1
117.03492	1.9
119.01381	1.0
127.05561	1.8
133.02962	1.0
141.03485	2.2
143.05025	2.8
145.02939	0.9
151.00412	4.4
155.04962	3.4
159.04480	1.8
167.04993	1.9
169.02928	0.8
171.04536	2.5
173.06023	0.6
182.03735	2.8
183.04509	10.0
185.02484	2.9
199.04044	3.0
211.04005	3.2
221.38779	0.5
227.03499	3.2
227.12843	0.5
255.03004	100.0
256.03314	0.5
280.22827	0.5
283.02499	36.8
283.26395	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	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.63580	1.6
55.01889	1.7
57.03456	5.3
59.01385	100.0
67.01897	3.4
68.75780	2.0
69.03464	5.3
71.01386	2.6
81.03443	2.4
83.01414	10.3
83.05029	27.8
88.32378	1.9
92.10781	4.1
95.05016	17.4
97.06591	41.0
98.03735	9.7
109.06670	3.5
109.33811	2.1
111.08261	2.5
113.09758	2.2
116.92867	3.2
116.97268	4.7
127.11268	3.0
135.08179	8.5
137.09746	13.5
139.07661	24.8
139.11282	26.6
149.09811	2.1
165.12860	53.2
167.10802	3.3
181.08707	29.3
183.13904	34.0
191.14507	3.4
201.78877	2.0
219.17601	63.6
237.18636	5.1
263.16513	20.8
277.47507	2.4
281.17618	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88469	0.5
52.58879	0.5
54.44134	0.5
55.01877	0.7
57.03450	6.1
59.01387	19.4
69.03471	2.6
71.05022	4.4
77.71542	0.7
80.02676	1.0
81.03447	0.9
83.05021	1.2
84.02181	1.1
95.01413	0.8
95.05021	9.1
96.02189	0.9
97.02933	4.9
97.06588	17.5
98.03694	1.1
99.08197	0.7
106.04261	0.6
109.06612	1.4
110.03747	1.2
111.00910	1.6
113.09740	5.3
116.39621	0.7
121.06549	0.8
122.98885	0.6
123.08176	1.1
125.09772	0.9
127.07652	0.8
133.06599	3.1
135.08180	13.2
135.82210	0.6
137.09685	3.3
139.11299	0.8
149.09750	1.4
151.11288	15.0
153.09207	6.8
154.10074	0.8
160.58842	0.7
162.10652	0.9
163.11302	3.7
165.09190	8.8
165.12845	16.1
166.09985	1.3
177.12816	1.3
181.08748	6.0
183.10327	1.3
191.14423	4.3
195.10313	3.6
219.17570	52.9
227.14398	0.7
235.08777	0.7
245.15508	1.4
263.16562	100.0
281.17621	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56852	2.4
51.81602	2.2
52.74431	2.3
53.99023	2.5
57.03440	2.9
59.01388	5.4
59.15958	2.5
69.37401	2.7
97.99417	3.6
125.84179	3.1
137.09723	5.3
141.09230	7.4
155.10759	3.9
165.12865	15.1
219.17574	7.0
237.18567	5.1
263.16476	50.9
281.17587	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	281.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37877	0.9
59.01386	10.8
67.35065	1.2
70.67021	0.8
70.84963	0.8
90.13280	1.0
92.10112	1.0
99.08151	2.4
105.49081	1.0
115.47065	1.1
116.92856	2.1
116.97259	2.0
119.62566	1.1
128.08392	1.2
136.89149	1.1
170.96039	1.1
173.77328	1.1
176.23836	1.0
195.13918	21.2
263.20169	20.8
274.53281	1.2
281.21222	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	281.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59184	1.0
57.03448	1.6
59.01377	12.1
71.01401	1.3
75.71530	1.2
88.13546	1.2
97.06592	6.2
109.06575	2.3
111.08165	5.8
123.08156	10.9
125.09714	19.0
127.11283	8.2
135.20590	1.3
139.07571	2.2
139.56021	1.4
141.09175	2.5
141.74164	1.5
153.09262	1.7
155.10799	11.4
156.35371	1.3
165.12837	2.8
169.12349	1.7
183.13818	2.8
209.19196	1.5
217.15970	2.2
219.17563	38.8
219.19406	1.8
221.09425	1.7
237.18585	12.4
245.15454	2.9
263.16556	40.6
281.17618	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	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.63303	3.6
59.01384	75.0
62.89682	4.0
67.21510	4.0
69.03475	4.7
71.01385	4.8
87.62357	3.7
88.03003	4.6
89.72731	3.6
92.10767	4.8
97.06605	20.8
97.44575	3.9
105.36835	4.4
108.95744	4.7
116.92853	6.3
135.08202	3.9
137.09717	6.3
139.07674	9.3
139.11282	7.4
165.12822	27.6
181.05872	4.0
181.08731	8.1
183.13924	7.6
190.28040	4.3
193.07138	5.8
219.17529	44.7
237.18526	31.8
258.25247	6.0
263.16486	27.8
281.17615	100.0
285.31357	4.2
289.07465	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	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	5.2
59.01386	20.8
63.33413	1.5
68.35300	1.0
69.03465	5.8
71.01360	2.0
74.22292	1.0
81.03474	1.1
93.07122	2.2
95.05070	5.1
97.02964	7.5
97.06606	4.7
97.54570	1.2
109.06630	1.9
111.08164	33.1
114.73849	1.2
123.08153	2.7
125.06004	1.2
125.09721	12.4
127.07655	1.6
128.06682	1.2
130.29570	1.2
137.09758	2.3
137.77309	1.1
139.11295	2.0
141.09207	6.6
143.07133	2.2
149.09718	1.4
151.07660	4.9
153.09198	2.0
155.10803	2.0
169.08717	100.0
171.10252	5.8
181.85403	1.3
181.86975	1.5
183.10280	10.5
193.08681	1.3
198.28819	1.1
199.09789	5.9
219.17624	7.1
229.15085	1.3
235.17116	6.7
237.14980	1.8
251.22800	1.4
263.16568	22.5
281.17624	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77439	0.7
51.50134	0.8
51.58188	0.8
57.03446	0.9
59.01382	12.9
60.99306	17.5
71.01379	8.9
72.99309	4.0
73.02951	1.0
75.00870	1.2
78.95908	6.0
79.38268	0.9
85.02957	9.4
85.76302	0.9
87.00880	5.0
88.98802	100.0
89.02458	4.4
92.27113	1.0
94.94041	0.9
96.96020	5.3
96.96965	3.6
99.00862	5.2
101.02446	8.0
102.05625	1.4
113.02439	1.2
115.00362	1.1
119.03471	4.1
127.04053	0.9
127.05109	1.8
128.03514	1.7
129.01920	7.2
133.01410	2.3
140.26947	0.9
140.90953	0.9
142.97557	1.3
145.06187	10.5
179.20210	0.9
191.05638	21.1
207.05128	54.2
262.98203	1.3
265.96463	1.2
281.08820	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15702	1.3
55.01883	3.1
57.03468	2.0
59.01384	100.0
60.99310	8.3
70.97098	1.4
71.01379	66.5
72.99310	2.3
73.02940	15.3
75.00868	14.5
78.95904	6.6
83.01395	9.6
85.02947	30.6
87.00870	3.9
87.04538	5.8
88.98796	51.7
89.02441	30.4
95.01372	3.5
96.96011	2.0
96.96949	3.4
99.00887	5.9
101.02431	51.4
103.92033	1.7
112.98817	2.4
113.02445	22.0
115.00460	1.5
119.03482	12.3
119.07131	7.8
125.02441	1.6
126.03057	1.8
129.01961	1.6
133.01552	9.5
143.03534	2.0
150.04234	28.9
159.02991	1.6
161.04535	23.4
173.00848	2.4
222.14810	1.4
281.12488	28.9
282.08585	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	279.1966
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
64.89349	2.4
67.49359	1.9
79.00876	2.4
107.73914	2.0
119.70374	2.1
125.90325	2.1
128.36571	2.5
134.89487	3.3
174.88834	2.2
177.16521	3.8
203.88791	2.4
219.85797	2.1
279.19666	100.0
285.76089	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	279.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46392	0.6
59.01386	4.0
59.29109	0.6
60.57196	0.7
67.18858	0.6
71.01403	0.8
76.57759	0.7
79.10986	0.6
110.45336	0.7
183.05023	0.7
222.21689	0.8
263.49750	0.7
271.64490	0.9
279.23300	100.0
280.23660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.27135	0.5
59.01386	4.0
60.68198	0.6
64.39228	0.6
71.01399	0.7
79.34877	0.6
111.11581	0.6
128.73061	0.7
185.90602	0.6
261.22208	1.0
279.23312	100.0
280.23886	1.0
293.16660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.11610	0.5
54.41254	0.5
57.85854	0.5
64.34220	0.6
65.06075	0.6
65.38441	0.5
70.79952	0.8
76.25073	0.6
79.89549	0.6
86.47760	0.7
92.10113	2.3
146.38899	0.7
154.57288	0.7
279.23315	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	281.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11374	0.3
53.87088	0.3
60.99313	16.0
69.84432	0.3
70.71016	0.4
78.62487	0.4
88.98802	100.0
95.57685	0.4
123.10050	0.4
167.00916	0.4
233.34343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1603
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
51.17655	2.5
54.82605	3.0
57.03448	5.2
59.01385	60.7
67.01900	6.7
69.03474	4.3
81.03453	4.6
83.01379	4.0
83.05028	16.7
92.65608	3.2
95.05039	24.6
97.02940	21.4
97.06588	42.1
98.23811	3.1
109.02952	2.9
112.26051	3.1
121.10209	6.8
123.04469	14.1
135.08142	19.6
137.09727	22.2
138.74294	3.0
139.07648	18.3
149.09787	5.7
151.07626	3.8
153.09206	4.8
163.07672	4.0
163.11284	31.2
175.11272	3.9
181.08653	11.7
181.12346	12.3
189.12910	5.0
217.15997	100.0
235.17273	3.8
261.14941	17.8
279.15933	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	279.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33192	3.4
59.01383	40.2
66.25319	4.0
97.02969	23.8
97.06597	17.2
113.40041	4.1
135.08163	10.0
137.09850	5.7
157.08739	5.2
163.11314	36.6
189.02940	4.1
189.12862	8.5
209.25542	4.2
217.16023	100.0
261.14914	47.6
279.16058	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	279.1602
Annotation	Papuanone
Peak:m/z	Relative Intensity
57.03463	45.0
59.01389	93.4
64.34715	10.8
69.03458	10.2
71.01376	24.5
83.05025	87.9
95.05054	15.2
97.06598	71.7
107.05099	14.8
109.06582	17.5
111.08103	14.1
121.06605	15.0
123.08186	73.2
125.42580	12.1
135.08115	25.1
137.09735	65.1
151.07669	61.7
152.80865	13.6
153.09206	47.6
163.07637	89.0
163.11292	55.5
181.08737	95.8
181.12392	15.9
217.15987	100.0
229.78006	11.6
235.17099	26.0
279.16147	35.5
279.19623	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	279.1965
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
61.32150	2.6
97.06600	6.0
117.89057	2.7
125.06069	36.8
126.06886	23.4
134.83366	3.0
141.09239	5.7
147.74803	3.6
151.92480	3.0
181.12329	3.8
201.30272	3.3
209.11792	22.1
210.12651	62.3
261.18549	20.4
279.19656	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	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
55.98730	0.6
57.03456	4.0
58.48372	0.6
59.01397	3.1
80.54238	0.7
81.04961	0.7
83.05035	0.7
96.96023	1.5
99.08158	27.2
104.54366	0.7
109.28903	0.6
110.08882	0.8
123.08199	0.8
125.09738	2.7
134.89473	1.4
136.89258	0.9
167.10759	2.9
175.04025	0.7
195.13937	3.5
235.17015	3.0
235.20622	1.6
279.19662	100.0
280.19885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1762
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
51.01536	1.1
55.17402	0.8
59.01382	1.7
60.50237	0.9
60.77288	0.9
82.96581	1.1
83.06672	1.1
84.04544	80.3
103.12703	1.0
112.45830	1.0
149.46716	1.0
193.12343	21.0
195.33861	1.2
278.17630	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	279.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82064	1.9
59.01375	2.1
95.05053	3.0
97.39046	2.2
109.06645	3.3
133.02963	5.1
134.03741	11.4
137.02431	11.4
151.03989	3.3
163.11288	5.3
171.10295	25.9
182.05864	24.6
195.17828	2.4
207.10284	22.1
225.11345	100.0
243.12332	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
51.38469	0.9
57.03450	1.2
58.00610	2.4
59.01384	100.0
62.90628	1.0
71.01382	36.4
73.02942	1.1
81.03992	1.2
85.02948	8.6
89.02447	45.6
95.01374	2.1
99.04553	2.8
101.02443	18.8
113.02440	15.8
117.05571	8.3
119.03493	19.5
158.71072	1.1
182.05373	1.2
215.77342	1.2
279.10855	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	279.1239
Annotation	Phaseolinone
Peak:m/z	Relative Intensity
50.63403	13.3
50.64094	14.1
64.70583	14.6
69.91913	15.3
77.31936	14.5
84.67938	20.1
86.17641	14.7
119.08660	20.5
127.76719	18.9
130.19391	16.6
134.85175	17.9
140.72601	19.5
159.04526	19.3
172.23463	16.7
189.09140	32.9
239.69289	17.4
243.17932	27.4
273.01163	17.9
279.12335	100.0
283.21463	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	279.1241
Annotation	Varitriol
Peak:m/z	Relative Intensity
59.01371	1.7
73.35136	0.9
85.02902	1.0
91.14073	0.8
91.98818	0.9
92.10789	1.2
97.06587	32.4
101.02454	1.6
108.02200	1.4
110.92763	1.1
114.11992	1.0
119.05003	1.0
122.03729	1.1
123.04517	11.4
124.50832	1.0
133.02934	9.6
137.02373	1.1
140.84935	0.9
146.03740	24.8
147.04529	43.7
151.04015	37.7
159.04485	12.4
161.06122	9.9
164.07175	1.0
172.05348	1.9
173.06073	30.7
174.03178	1.4
174.06873	1.4
175.04036	7.7
175.07642	16.2
177.05580	5.2
185.06006	1.1
187.03999	4.5
187.07681	4.3
188.04868	1.6
189.05640	8.4
190.06291	1.9
201.05577	21.2
201.09270	2.0
202.06357	29.2
203.07147	1.3
204.07913	4.2
205.05019	1.4
215.07100	1.4
216.07796	1.0
219.06708	1.8
219.10255	5.4
220.07454	1.5
231.10266	5.1
249.11351	11.1
250.08485	35.6
279.12396	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	277.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82587	4.7
55.96222	4.4
59.01390	9.6
61.81301	4.4
73.32693	5.2
92.10114	6.7
173.06088	8.5
187.07666	7.7
201.05644	6.9
202.06360	100.0
231.10216	37.9
264.09976	5.4
277.10757	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	277.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06437	0.4
52.43913	0.3
53.40958	0.4
54.61335	0.3
55.15609	0.4
58.74574	0.4
59.01386	1.0
61.98847	0.4
75.95552	0.4
90.57726	0.4
92.10225	0.6
99.47189	0.5
118.41078	0.5
121.82826	0.4
125.06093	0.5
134.07352	0.8
136.08966	1.0
149.09717	0.8
151.11296	24.2
152.91814	0.6
177.12857	0.8
179.14394	0.9
191.14441	0.5
205.15959	0.6
231.17157	0.4
233.19096	14.6
259.17001	9.4
277.18094	100.0
278.18365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
66.66046	0.9
69.47585	0.9
91.57682	1.0
96.99770	0.9
179.92796	1.0
184.56102	1.0
185.13867	1.1
202.78683	1.3
213.06409	1.2
233.47720	1.1
276.50510	1.2
277.21747	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	275.0775
Annotation	Ranunculin
Peak:m/z	Relative Intensity
50.15403	0.6
57.03443	1.0
59.01384	5.2
71.01385	1.9
72.99277	0.9
78.95905	6.2
81.03465	1.9
83.05032	1.2
85.02942	12.4
87.00874	3.4
89.02451	0.7
92.65921	0.8
95.05013	3.0
96.96005	1.2
96.96936	5.7
97.02944	1.3
97.06589	1.0
99.00849	1.0
99.04534	6.6
107.05060	1.4
109.02967	4.7
111.04516	1.7
115.05177	0.9
117.18520	0.9
121.03027	0.8
123.04523	9.7
125.02399	0.8
125.06127	1.0
127.04057	0.8
135.04509	0.8
139.03987	4.9
141.05583	3.8
144.62801	0.8
151.04002	10.5
153.05597	1.6
165.05550	5.6
169.05051	10.5
185.04553	1.9
193.05164	0.9
243.34396	0.8
275.07733	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	275.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57343	2.0
55.57920	1.9
59.01378	57.9
76.57350	2.4
85.90009	2.1
92.18998	2.5
99.00655	5.8
116.92865	14.7
140.50194	2.9
179.16763	2.3
179.41370	2.3
179.82022	2.5
192.95831	5.4
193.12352	100.0
275.12674	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17512	66.5
55.14891	65.2
55.61575	66.1
57.64835	66.6
59.01407	80.3
70.24457	80.6
71.01402	94.8
97.02980	78.9
109.96598	73.6
137.50972	69.6
154.77504	71.1
207.10387	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	275.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91492	4.0
58.31765	3.6
59.01399	30.8
59.76634	4.0
71.01395	45.7
80.02649	4.4
81.03486	10.5
83.05033	9.4
83.64584	4.7
95.05018	4.4
97.02975	22.8
107.05039	4.8
109.06608	72.1
116.92901	5.1
123.04485	3.8
129.33615	3.9
129.86331	4.0
135.08171	7.5
136.05296	7.0
142.02727	8.3
163.11288	34.8
171.10240	10.6
181.12358	16.7
192.95929	5.0
207.10306	100.0
225.11438	8.2
238.12361	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	275.2019
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
51.78241	1.6
59.01383	11.8
67.39581	1.6
72.18187	1.7
73.55177	2.0
90.02869	1.7
115.97497	2.2
122.39651	1.8
166.81795	1.9
231.21185	8.3
249.21928	2.0
275.20197	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	274.0936
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
55.01894	0.7
55.20588	0.6
56.23002	0.7
58.02981	10.9
59.01381	1.9
71.01382	8.6
78.16259	0.9
79.67877	0.8
80.05065	1.0
81.03410	0.7
82.03025	0.7
83.01373	1.2
84.04560	1.7
85.02964	1.2
87.00891	0.9
89.02440	100.0
94.02987	1.3
97.80184	0.8
99.00880	1.0
100.04033	14.4
101.02428	1.9
112.04047	6.1
118.72755	0.7
124.04005	1.3
136.04099	1.3
140.03546	2.0
142.05080	3.3
154.05072	1.0
166.05045	1.2
202.07190	3.2
230.10126	0.8
232.08234	4.9
274.09344	74.4
293.62338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44871	0.4
54.80013	0.4
57.03449	4.0
59.01390	0.5
67.43468	0.4
69.96582	0.5
70.24783	0.4
75.28676	0.4
93.80992	0.5
130.08736	100.0
148.95361	0.4
172.09799	26.0
181.91121	0.5
194.11897	1.1
212.12985	4.6
214.10849	1.0
238.10793	1.1
274.12976	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	273.1247
Annotation	Terezine A
Peak:m/z	Relative Intensity
59.01390	7.3
59.49729	1.4
59.80001	1.7
65.16235	1.5
68.18811	1.6
68.36115	1.5
104.58124	1.7
115.07635	15.9
121.05356	2.8
122.96173	1.8
133.71677	1.9
136.04041	13.9
136.07692	30.6
138.05621	3.5
147.03247	2.6
162.05635	4.0
182.06110	6.3
185.03520	2.3
186.09175	14.5
188.10817	2.9
196.07745	2.0
197.08496	9.8
199.05125	3.5
200.05916	3.3
201.08069	4.0
211.05164	17.2
211.08818	2.1
212.06000	2.9
212.10844	23.2
213.06766	1.8
214.03825	2.4
214.07437	3.4
215.08307	9.8
216.09038	2.8
225.06715	52.8
226.07455	36.8
227.08328	7.4
228.05478	2.0
229.06200	7.2
229.09811	17.4
230.12079	17.2
231.05499	2.5
231.11383	46.0
239.08342	7.8
240.09050	32.5
243.07776	14.4
254.10555	2.6
255.11412	100.0
258.10092	18.6
273.06647	7.2
273.12494	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69615	0.3
58.05672	0.2
59.01387	1.7
59.66315	0.3
68.85844	0.2
69.24149	0.2
76.57074	0.4
85.63293	0.3
91.04000	0.6
91.20570	0.3
137.09749	2.5
151.51569	0.3
155.10786	100.0
156.11127	0.4
179.42047	0.3
179.77315	0.3
181.08702	0.7
199.09779	1.7
273.13483	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	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05570	0.3
53.68593	0.3
54.82315	0.4
59.01395	0.9
59.29032	0.3
60.45600	0.3
63.78332	0.3
71.01421	0.6
79.61997	0.3
87.62032	0.4
89.02454	0.4
91.04059	0.5
137.09743	1.8
141.15240	0.4
155.10785	100.0
175.02545	0.5
199.09770	2.0
265.13638	0.5
273.07913	0.5
273.13467	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	273.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52390	1.2
59.01387	25.4
71.01371	1.8
83.05022	1.9
86.05289	1.2
87.00881	1.5
115.00388	5.3
139.11301	2.6
142.44807	1.3
151.11269	5.3
161.04344	1.4
169.12349	100.0
175.02475	2.0
183.10251	1.7
197.11868	18.9
201.01926	1.4
214.54916	1.4
225.09291	2.1
229.13438	2.5
241.10854	61.6
247.97412	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	273.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98832	3.5
71.41663	0.7
81.03447	1.0
83.01389	3.3
83.93079	0.7
84.02182	2.8
87.93251	0.6
92.10141	1.2
115.07632	0.7
125.09705	5.2
127.11317	1.2
146.95866	2.9
163.11301	1.0
165.12886	0.7
171.10307	5.1
181.12331	0.8
190.94878	1.3
191.10812	4.8
209.11841	5.3
213.14955	3.4
226.12096	1.2
234.18445	0.8
241.14587	0.8
243.16028	1.4
273.17105	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	271.0977
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
59.01395	5.0
59.53024	0.9
60.87561	1.0
66.31976	0.8
74.60159	0.8
92.66805	0.9
109.02924	1.0
134.51521	0.9
171.04524	1.2
174.01685	5.6
185.06113	14.1
193.06009	1.0
195.04527	10.5
196.05328	1.7
197.06110	3.5
211.04066	2.1
212.04878	6.6
213.03548	1.9
213.05600	57.5
223.04012	6.6
224.04762	6.9
240.04309	3.5
241.05089	100.0
242.05273	1.0
256.07434	48.6
271.09802	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1914
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
132.66736	0.6
209.19136	80.3
227.20142	0.9
229.95882	0.6
253.18126	57.9
271.19177	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	271.228
Annotation	3-hydroxy-hexadecanoic acid
Peak:m/z	Relative Intensity
50.06787	0.6
50.28914	0.8
51.09171	0.7
53.64424	0.5
53.85903	0.6
59.32325	0.7
60.29152	0.7
64.34702	0.7
68.55437	0.6
101.27333	0.7
104.52023	0.7
188.83867	0.9
198.55278	0.7
225.22231	4.7
247.51411	0.8
253.21541	1.1
269.21136	0.8
271.22803	100.0
272.23163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01885	0.6
64.33956	0.3
72.99352	0.3
83.57931	0.3
136.56142	0.3
197.19087	1.4
221.19160	1.4
223.20740	6.5
225.22270	83.4
226.22597	0.6
253.21817	2.1
269.21469	0.5
271.22815	100.0
272.23138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0769
Annotation	fusarubinaldehyde
Peak:m/z	Relative Intensity
54.82718	0.6
59.01383	0.8
60.41193	0.5
66.13299	0.7
67.47364	0.5
75.23438	0.6
87.67179	0.6
89.03991	3.7
91.72749	0.6
94.06662	0.6
101.61924	0.6
102.10579	0.7
118.04253	3.4
127.78519	0.7
130.04240	0.9
134.03775	1.4
135.00710	0.7
139.71613	0.6
145.02956	0.8
145.20702	0.6
148.01683	6.5
160.01740	0.6
161.02451	14.2
162.03241	2.9
173.02460	3.5
174.03279	4.9
176.01154	14.6
176.44229	0.8
187.04073	0.7
189.01982	7.3
190.02739	17.9
195.82404	0.6
201.01971	41.5
202.02765	12.0
211.03954	0.8
215.03532	33.5
216.00781	6.2
216.04292	19.5
222.01631	1.1
229.05087	4.1
245.08217	100.0
273.07721	60.6
273.10791	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	271.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44030	1.5
56.37036	1.5
59.01377	2.7
62.35194	1.7
71.01378	3.5
71.22612	1.9
71.25471	2.3
99.00864	2.4
106.12313	1.7
112.98801	11.7
118.90917	1.7
132.13855	1.7
142.99829	3.2
153.05438	2.4
171.98346	2.1
174.01700	100.0
175.02443	1.9
175.12579	2.1
185.06079	11.3
195.04527	8.7
197.06021	2.8
212.04732	4.0
212.77892	2.0
213.05591	39.6
213.42735	1.8
223.04126	7.0
224.04742	2.7
241.05118	75.3
256.07486	36.6
271.09906	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	alpha-Arbutin
Peak:m/z	Relative Intensity
59.01392	8.0
70.04375	1.3
71.01399	2.4
72.99329	1.2
77.41293	1.1
83.01397	1.5
99.00883	5.0
100.09591	1.1
112.98833	8.7
115.00359	1.7
127.35126	1.6
142.99910	4.6
167.52629	1.3
173.00867	2.6
174.01700	100.0
193.05048	1.2
199.23964	1.4
224.74028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41406	1.1
54.83319	1.4
59.01373	1.1
69.82263	1.1
83.01393	1.9
89.74595	1.1
97.73132	1.2
99.00882	5.0
109.06589	1.6
112.98843	7.3
121.06613	1.1
121.27575	1.2
149.06035	1.2
153.05725	1.4
167.07161	1.8
173.00929	1.7
174.01703	100.0
193.05099	2.1
232.54361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.70707	0.8
59.01373	1.0
62.16010	0.8
63.02404	15.9
65.00330	22.6
76.30244	0.8
83.01386	15.4
93.03454	16.1
107.01399	34.1
119.05028	100.0
120.01620	0.8
121.02956	1.3
142.99879	1.4
145.02943	0.9
151.00381	64.9
161.06053	1.7
162.13060	0.9
165.01974	2.2
169.01498	1.8
174.01730	9.4
177.01918	8.1
185.06113	1.3
187.03979	1.5
188.00095	0.9
227.07135	1.0
271.06149	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
54.92231	0.7
55.75045	0.8
63.02398	15.1
65.00322	19.6
83.01394	15.4
90.59431	0.9
93.03457	13.5
107.01401	33.9
119.05020	100.0
145.02931	1.1
151.00380	71.0
161.06013	1.1
165.01932	3.9
169.01463	1.8
177.01886	9.6
185.06049	1.0
187.04024	3.9
194.41350	0.9
208.61722	1.0
214.54013	0.9
227.07378	1.0
271.06146	78.3
281.96466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0825
Annotation	Arbutin
Peak:m/z	Relative Intensity
53.30383	0.5
55.01901	0.5
59.01385	1.3
71.01387	4.9
78.95896	6.4
79.68019	0.5
85.02958	2.6
92.10742	1.0
95.01405	1.0
96.96004	6.2
96.96947	8.0
99.00873	0.8
100.98822	0.9
101.02425	3.1
102.27245	0.6
106.31966	0.5
108.02174	100.0
109.02977	7.7
113.02439	1.2
123.04519	1.1
133.03001	0.6
142.99889	0.7
151.03984	2.5
161.04523	1.4
163.03951	0.9
165.19389	0.5
175.02455	3.6
209.37592	0.6
271.08289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1296
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
54.27260	1.1
56.34813	1.2
59.01391	2.0
63.62285	1.1
70.53952	1.2
72.53536	1.3
88.98856	1.5
92.10766	1.6
107.55043	1.6
110.69463	1.4
182.53691	1.2
185.20641	1.3
186.95627	1.4
189.02777	1.6
198.40105	1.3
211.08797	11.0
211.13602	1.5
225.10402	13.9
225.52060	1.3
226.11147	2.2
239.08247	6.6
241.13553	3.3
253.09853	2.9
253.90804	1.6
254.10619	27.0
269.04587	6.4
269.12988	100.0
269.54749	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	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01386	1.9
92.02478	1.1
92.10213	1.4
99.08154	4.6
113.09727	1.4
143.07199	4.6
185.78119	1.1
209.60591	1.1
232.07552	1.2
269.21246	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	269.2122
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
56.07692	1.3
61.59414	1.6
62.46893	1.3
69.07628	1.1
72.62352	1.4
87.25618	1.3
92.10083	2.8
102.26926	1.3
112.59676	1.4
114.10104	1.4
121.19479	1.5
124.18172	1.5
147.26311	1.3
147.62955	1.5
150.05980	1.7
167.47369	1.4
223.20703	51.6
269.21231	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	269.2124
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
52.45249	0.6
60.65390	0.7
73.36942	0.7
79.64086	0.7
81.59240	0.7
83.15087	0.7
88.40955	0.8
90.84261	0.7
132.78499	0.8
251.20111	2.8
269.21243	100.0
270.21683	1.1
290.61517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44973	0.5
57.85325	0.6
59.01369	0.6
59.40423	0.5
69.86658	0.5
73.13997	0.6
76.35164	0.6
78.95898	5.9
87.00874	66.2
92.10165	1.2
93.03462	0.7
96.96952	7.1
111.60059	0.5
118.56434	0.5
121.02961	21.4
121.06507	0.7
125.45154	0.5
135.04510	1.0
136.05321	0.8
163.04015	0.6
166.06357	100.0
167.06731	0.7
181.08716	37.8
183.66689	0.5
205.08665	0.6
269.10349	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	267.1965
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
51.48999	0.6
52.13399	0.7
55.03121	0.7
59.01379	27.6
59.01653	1.3
59.24179	0.7
62.76933	0.7
63.72204	0.8
71.11567	0.7
74.97256	0.8
75.69721	0.8
95.95096	0.8
99.99619	0.8
113.09700	1.6
130.24048	0.8
149.09723	3.8
154.15265	0.8
167.10774	39.7
184.36055	0.9
205.19658	3.5
231.17474	1.5
249.18594	39.5
258.17761	0.9
267.19659	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	267.2332
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
51.19836	0.8
54.81944	0.7
54.82629	0.7
60.22315	0.7
68.08604	1.0
75.14150	0.8
97.34307	0.9
158.64789	0.9
267.23331	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	267.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33995	0.5
54.83075	0.5
59.01385	8.3
59.92773	0.4
67.33092	0.5
71.24366	0.5
82.44436	0.5
82.46425	0.5
101.23373	0.5
102.63921	0.5
184.29214	0.6
267.23315	100.0
268.23669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82552	0.2
59.01371	0.4
60.99277	0.2
61.98833	100.0
83.13904	0.4
104.77181	0.3
160.56412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0457
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01384	0.9
63.02397	2.2
63.88409	0.2
65.00324	5.7
65.00638	0.3
70.28592	0.2
71.75922	0.2
76.31136	0.2
81.03446	0.3
83.01381	2.7
84.37344	0.2
92.10160	0.4
93.03496	0.2
95.05029	0.3
105.03435	1.9
107.01392	9.7
117.03465	37.9
121.02966	2.6
149.01242	0.4
149.02446	12.3
151.00381	14.4
158.65340	0.2
159.04506	2.4
163.19032	0.2
169.06537	0.4
180.05823	1.2
181.06639	2.8
182.03706	0.3
183.04492	2.2
185.02420	0.8
196.05325	0.2
197.06047	1.3
201.05621	2.0
209.02449	0.3
224.04779	0.5
225.05591	5.1
227.03452	2.5
241.05106	0.4
269.04581	100.0
270.04916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
64.34782	0.4
78.95901	59.0
89.02245	0.4
92.10075	0.6
96.96956	100.0
108.13335	0.3
114.39481	0.3
144.61142	0.3
198.88956	0.3
227.55423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.1
59.01380	59.4
68.75140	1.1
81.72497	1.3
95.04987	1.4
97.06586	13.3
98.95598	2.7
113.09726	8.1
121.02951	1.7
125.06077	2.0
143.07140	34.4
249.18593	38.5
267.19669	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	265.181
Annotation	Armatin C
Peak:m/z	Relative Intensity
59.01385	12.1
60.87546	0.7
69.03442	2.6
71.01409	0.8
75.48441	0.7
81.97971	0.7
83.05059	0.6
83.69093	0.8
84.07017	0.7
90.24928	0.7
102.25255	0.8
111.08159	1.8
135.77670	0.8
149.09740	4.3
151.11220	1.9
155.07159	1.9
167.10783	37.5
177.09204	1.5
195.10310	10.4
203.18108	4.5
205.16057	7.0
228.10124	2.9
247.17084	15.7
265.18106	100.0
266.18484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2173
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01384	1.3
88.79978	0.9
179.05212	1.1
205.15970	1.4
265.21756	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	265.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.9
61.98824	2.9
75.86295	2.7
92.10110	7.6
96.96004	5.7
120.30360	2.5
178.58771	3.2
205.15970	14.5
236.24977	2.8
265.21704	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	266.0896
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.31647	0.2
56.63272	0.2
60.89563	0.2
61.02163	0.2
69.93121	0.2
70.82993	0.3
92.02563	1.3
94.17930	0.2
107.03651	7.9
112.65530	0.2
134.04733	100.0
165.87860	0.2
210.32831	0.2
266.08954	2.9
275.83981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1083
Annotation	Papyracon D
Peak:m/z	Relative Intensity
54.33504	9.2
56.49891	9.5
59.01398	55.1
60.33794	9.6
67.74824	9.3
70.30712	10.6
73.44445	9.7
100.39452	10.1
119.77232	9.5
121.02981	90.4
137.02478	19.0
150.03275	46.9
161.06146	13.7
168.04338	24.8
175.03958	11.0
200.74022	11.7
203.07190	11.9
205.16011	96.9
219.10103	25.3
233.35289	10.4
247.09587	55.7
264.89352	12.3
265.10797	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18639	0.2
54.82618	0.3
59.01373	0.6
67.24558	0.2
79.95710	2.7
95.95228	0.3
96.96003	100.0
108.94562	0.3
205.16040	1.0
240.88934	0.3
265.14813	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51827	0.6
52.34780	0.5
54.84567	0.7
57.03450	12.9
57.03672	0.8
59.01385	9.8
68.46088	0.6
96.96004	61.9
97.06583	6.0
113.09727	50.4
123.08119	0.7
139.11299	17.6
149.09760	4.4
163.11288	3.1
165.12814	0.8
167.10716	1.4
175.09256	0.7
205.16017	1.5
221.19160	10.9
247.17049	1.3
265.14841	42.0
265.18106	100.0
266.18411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.093
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
54.82315	1.2
57.03463	9.9
58.00616	1.3
59.01384	91.2
60.23242	1.0
71.01377	26.4
72.28335	1.1
72.68937	1.4
72.99305	2.1
73.02962	1.9
83.01411	1.3
84.22124	1.1
85.02955	32.3
87.00903	1.3
89.02450	34.6
95.01382	1.3
99.04517	3.0
101.02443	19.9
103.04017	48.2
113.02444	9.8
117.05561	1.8
119.03498	13.9
135.04541	2.3
143.03517	1.5
160.27245	1.4
205.16046	4.4
265.09305	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	263.1653
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
51.58055	0.4
52.51408	0.4
55.05994	0.4
59.01384	24.7
62.87098	0.4
80.02675	0.8
81.97928	0.4
95.04995	1.0
97.06594	1.0
106.04238	0.5
119.05033	0.6
120.05808	1.8
135.08255	0.7
147.08165	1.0
148.08945	5.2
149.09720	2.3
149.10909	0.4
151.11343	3.4
160.78944	0.5
163.11298	10.1
165.12856	33.5
189.12857	4.4
191.14442	17.1
217.15944	0.5
219.17581	17.2
227.14438	0.6
245.15521	6.2
248.06886	0.5
263.16547	100.0
264.16937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
96.37869	2.0
114.38682	2.2
131.36951	2.1
146.24652	1.8
154.60153	1.8
210.71503	2.0
229.80336	2.0
246.30035	2.1
263.17355	4.1
263.20181	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	265.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
56.11697	0.4
57.03456	6.5
59.01383	100.0
62.48576	0.4
67.01900	2.1
68.99825	1.0
71.01379	24.7
72.99313	4.7
72.99637	0.5
73.02944	5.8
75.00871	5.7
79.37433	0.5
83.01389	6.6
85.02942	6.5
87.00880	2.6
89.02445	6.6
97.09934	0.5
99.00883	13.3
101.02425	4.5
102.13123	0.5
111.00887	9.3
112.98777	3.7
113.02471	2.7
114.26424	0.5
115.00378	2.6
119.03469	2.2
129.01945	18.0
140.03221	0.5
145.01381	0.8
148.85411	0.6
157.01393	0.8
170.65540	0.5
173.00940	6.8
189.64854	0.6
192.66893	0.5
205.03557	0.6
205.16107	0.7
265.09259	3.7
277.86639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59370	0.3
55.01889	1.8
57.03453	6.2
58.22837	0.2
59.01383	100.0
60.99308	0.3
67.01892	2.6
68.99821	1.9
71.01378	25.8
72.99305	5.9
73.02940	5.1
74.10191	0.3
75.00871	5.6
80.61547	0.3
83.01385	5.5
84.03925	0.3
85.02945	6.8
87.00854	2.4
89.02440	7.3
90.45802	0.2
95.01378	0.4
99.00874	12.3
101.02437	4.5
103.04034	0.3
111.00880	10.4
112.98807	5.9
113.02478	2.3
115.00407	2.3
117.01910	0.7
119.03502	3.0
119.92146	0.3
127.15491	0.3
129.01938	18.0
133.01440	0.5
134.04762	0.3
135.28581	0.3
139.41006	0.2
142.99797	0.4
143.03517	0.4
145.01434	1.1
157.01402	0.7
173.00908	7.1
205.03558	0.7
205.15977	2.2
265.09280	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	262.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57318	0.8
57.03452	7.9
59.01389	2.1
64.00556	1.1
66.03506	1.0
69.03447	8.8
70.02987	1.4
71.01395	4.4
72.99304	6.5
73.99669	1.8
75.00884	1.4
83.01389	1.2
85.02949	84.9
87.00890	4.4
87.04498	7.2
89.68761	1.0
94.02993	1.5
96.00916	0.9
96.04548	100.0
97.02934	14.4
98.02473	1.2
99.00879	7.0
105.01933	3.8
109.02962	1.5
110.02546	0.9
111.74128	0.9
112.04065	4.3
114.02015	1.0
115.04023	4.0
119.03490	1.1
126.05684	1.0
128.03549	4.5
129.01936	16.3
138.05664	1.1
140.03528	6.1
141.01941	4.3
142.01447	1.2
158.04573	15.5
159.03035	1.6
165.03987	7.3
168.29309	0.9
172.02573	1.2
200.05574	4.5
202.03619	1.3
202.05603	0.9
202.45676	1.3
212.66913	0.9
219.05069	3.5
262.00485	2.0
262.05658	5.8
262.15250	1.0
282.59549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	2.3
57.03453	12.3
59.38464	1.1
68.05053	1.3
69.03480	7.0
70.02989	1.3
71.01409	5.6
72.00949	1.6
80.03417	1.3
82.03024	1.4
85.02962	90.8
87.00919	1.2
87.04539	5.4
87.92529	1.3
92.10194	2.3
92.31210	1.2
96.04552	100.0
97.02968	14.1
98.02501	1.4
99.00887	6.5
111.04542	2.0
112.04051	2.3
112.75938	1.4
114.01994	2.1
116.00148	1.4
122.02503	1.4
126.05633	2.5
128.03537	9.8
129.01935	22.2
140.03534	7.4
141.01971	5.4
142.01443	2.5
144.03032	2.0
158.04616	18.5
172.02570	1.9
200.05797	2.6
242.80565	1.3
262.05707	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	263.129
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
57.03471	5.5
59.01396	19.4
61.39593	3.6
62.21564	3.5
69.79342	3.3
71.01350	4.1
76.18619	3.2
97.02995	6.8
108.05866	5.8
109.02978	4.3
111.04575	6.3
113.06114	7.4
117.36033	4.0
119.08692	7.1
122.03722	28.2
123.08208	4.2
125.06084	24.7
136.05283	29.5
137.06068	5.4
138.06917	32.6
139.07680	42.3
148.05272	13.4
149.06122	6.4
151.07648	86.4
152.04791	5.3
152.08424	38.1
153.09229	9.0
161.09731	8.6
163.07642	15.9
167.07166	6.1
183.61761	3.6
189.09230	8.2
191.10765	8.2
201.12900	39.4
203.10818	47.6
204.11562	84.5
209.11847	7.5
219.13914	100.0
227.12971	7.7
263.09195	6.0
263.12921	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	261.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.7
59.01397	10.7
69.03458	2.0
71.01385	26.2
73.02963	3.8
76.82487	1.7
79.40770	1.3
80.12379	1.4
81.03484	1.9
81.56360	1.5
83.05032	1.8
90.34071	1.6
95.05038	4.0
97.06568	17.7
109.06598	3.9
123.08154	10.5
125.08794	3.3
125.09722	100.0
163.11269	9.0
171.10269	67.5
181.12332	3.1
187.09770	66.8
189.09171	3.2
207.10275	20.1
220.57953	1.9
225.11328	43.8
230.96404	1.9
261.13443	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	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52745	0.9
57.03461	1.1
59.01385	4.9
62.03799	1.0
71.01382	36.3
72.61855	1.1
73.02943	2.3
83.05030	2.8
95.01370	1.8
95.05013	9.0
97.02914	2.7
99.04508	2.0
106.04224	1.2
109.06573	8.1
110.03754	5.1
111.04507	1.6
118.50499	1.3
125.09737	2.0
127.11323	2.7
135.08139	1.7
147.38927	1.2
151.11285	1.6
153.09174	2.3
161.09729	1.2
163.11279	15.2
165.85805	1.2
169.12288	1.6
171.10277	100.0
179.10789	5.1
181.12389	4.9
185.11884	1.5
189.09262	11.2
189.10689	1.4
197.11845	2.9
203.19479	1.3
207.10275	31.0
225.11340	76.7
243.12344	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	261.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82602	3.3
58.00613	10.2
59.01396	23.3
60.74873	2.1
63.02438	2.8
71.01387	59.9
71.01730	3.7
73.02959	12.8
74.02484	2.9
76.81584	2.4
80.87994	2.2
84.02164	3.1
95.05074	2.6
97.02962	3.5
109.06609	19.7
110.03741	4.9
123.08147	3.7
125.09725	13.1
127.11298	4.6
135.08189	4.3
153.78046	2.7
155.10783	11.1
163.11284	16.4
171.10283	100.0
181.08807	3.1
181.12393	3.6
189.09354	2.6
199.09773	87.9
207.10263	33.1
225.11319	36.9
261.04034	35.9
266.23645	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	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
60.79616	0.8
69.14305	0.8
74.02473	6.6
92.10141	1.7
101.10432	0.8
114.38830	0.9
119.63466	0.9
136.85500	1.0
154.90323	0.9
169.12340	100.0
171.10262	5.3
181.13516	2.2
187.80801	0.8
200.04570	1.0
209.11794	1.3
213.11362	5.3
225.12483	1.8
227.12918	1.3
231.12460	6.8
231.14447	0.8
237.11693	0.9
241.14537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
62.48121	0.3
67.74669	0.3
80.02697	2.1
81.03474	2.4
83.05032	8.3
84.02184	5.1
95.05038	0.8
125.06129	0.6
135.08197	0.7
153.19977	0.4
163.11288	7.5
165.12868	4.8
181.12341	0.6
191.10789	1.7
209.11852	100.0
227.12929	10.4
232.72505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
58.32663	1.4
59.01392	4.4
66.30624	1.7
68.20901	1.6
71.64928	1.6
72.99303	20.3
75.00869	6.8
77.31101	1.4
79.95755	4.4
81.30214	1.9
85.03668	1.9
85.90718	1.7
87.00869	1.9
92.10733	4.0
92.65769	2.1
93.03461	33.4
96.37598	1.8
96.96006	3.4
101.67844	1.7
102.03909	1.8
104.85432	1.6
107.05032	2.7
112.21229	1.7
119.05025	72.2
135.04532	43.4
151.61794	1.9
163.04018	56.0
170.88423	3.6
171.66257	2.0
171.87291	1.8
172.08012	2.0
181.05077	100.0
199.00648	15.6
205.20448	1.8
215.00198	4.1
222.32741	1.8
237.14314	1.9
261.00757	88.9
267.41882	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	259.0226
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
54.98831	0.3
58.24684	0.3
59.01404	0.5
71.01392	0.4
78.95904	88.3
88.98726	0.3
96.96960	100.0
101.02451	0.5
104.26059	0.3
115.35377	0.4
115.82062	0.4
138.98045	5.0
147.12750	0.5
168.99120	1.9
187.02916	0.7
199.00131	2.9
241.01169	0.6
259.02271	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	259.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90033	2.0
54.86445	1.9
59.01392	5.7
65.13848	2.1
72.00924	14.8
86.02481	63.1
90.14855	2.1
92.05054	67.5
96.87742	2.1
96.96970	2.2
116.05071	73.9
142.06621	34.4
144.08194	13.4
149.17738	2.4
154.06667	8.8
156.06956	11.4
169.07732	13.6
171.07901	3.7
171.09291	73.8
198.07086	2.2
215.08286	100.0
259.07285	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	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36480	2.6
54.82378	3.5
55.01897	7.3
59.01395	3.7
61.43273	2.8
64.02140	2.9
65.67818	3.2
69.03443	3.9
71.05013	5.2
76.05791	2.8
77.87993	2.9
83.05032	5.8
91.20505	3.1
99.00871	25.2
125.09663	4.0
125.31515	3.1
151.11284	4.0
153.56071	3.5
163.11244	5.2
197.11842	79.9
209.11835	100.0
227.12968	44.5
241.10796	5.6
241.14510	5.9
259.02429	7.1
259.15576	5.5
262.09976	3.5
273.04156	3.5
280.73041	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	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83173	1.3
58.00619	1.5
58.58615	1.3
59.01383	22.7
71.01377	11.1
73.02948	7.1
87.00881	1.9
92.10820	3.1
92.65753	1.8
103.36454	1.6
125.09749	2.2
137.09758	9.7
137.98204	1.5
151.11230	1.9
153.09215	6.7
155.09541	3.6
155.10799	100.0
161.09772	3.3
165.09196	2.9
167.10828	1.9
171.10301	35.4
174.39815	1.5
177.01926	3.2
179.10773	7.3
181.08730	2.8
183.10332	3.7
197.11827	3.6
199.09709	22.3
209.11861	1.7
213.11163	1.7
217.10846	83.5
223.09779	17.2
226.13605	1.5
241.10825	3.4
259.11887	15.7
270.02173	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	251.2017
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
50.76035	0.3
59.01383	1.8
70.85937	0.5
72.25221	0.4
83.59021	0.5
92.10189	0.6
123.75289	0.4
166.38943	0.5
217.71307	0.5
233.19218	1.0
239.57675	0.5
251.20189	100.0
252.20541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	2-O-(alpha-D-Glucopyranosyl)glycerol
Peak:m/z	Relative Intensity
59.01392	100.0
59.88075	0.4
60.54576	0.4
69.03469	0.5
69.92250	0.4
71.01387	1.9
72.50861	0.4
73.02972	2.1
83.01434	0.6
85.02980	2.4
87.00872	0.7
96.01644	0.5
97.02989	0.6
99.00901	1.0
101.02448	2.4
125.02391	0.8
141.01939	0.6
142.27548	0.5
161.04585	6.3
180.19354	0.4
183.56821	0.4
193.07196	11.5
207.60757	0.5
210.15726	0.4
211.11653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2175
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
56.56639	0.5
58.54814	0.6
59.01384	8.1
64.62249	0.5
92.10861	1.2
127.63228	0.5
147.19687	0.6
155.72871	0.5
163.54745	0.6
178.24657	0.6
193.07211	0.7
253.21770	100.0
254.22012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2174
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
50.96962	0.6
51.84720	0.5
59.01389	12.3
60.56454	0.4
85.09859	0.6
88.07519	0.6
114.31180	0.6
161.04549	0.6
193.07161	1.1
253.21745	100.0
254.22076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2174
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
50.45715	8.1
51.32594	8.6
55.54683	10.6
56.38836	8.5
59.01381	100.0
68.16786	10.4
84.18085	9.8
92.10091	10.4
123.19016	10.5
130.15430	9.8
138.33592	9.7
253.21701	47.5
272.94180	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	257.2124
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
50.44157	1.6
54.20681	1.5
58.40871	1.6
58.63453	1.7
60.37626	1.7
60.95300	1.8
61.88436	2.0
66.57811	1.6
116.92889	15.4
183.17581	2.5
209.19173	7.7
211.10826	2.0
211.20709	92.5
217.74930	2.1
219.84595	10.3
221.84229	11.5
232.25842	1.9
257.21255	100.0
257.23569	4.2
264.21204	2.2
272.76505	2.2
276.25726	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	257.2123
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
54.89249	0.3
56.97454	0.3
58.43533	0.3
59.01379	0.5
81.25917	0.3
116.92841	0.4
129.31389	0.3
209.19072	0.6
211.20703	5.6
219.84491	0.5
221.84262	3.4
239.20193	2.2
255.19682	0.6
257.21246	100.0
258.21521	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	257.2124
Annotation	15-Hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
59.01385	100.0
59.01653	5.7
76.57890	3.4
116.92874	15.6
219.84428	6.4
221.84262	22.3
229.10954	4.4
257.21259	36.2
257.23685	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	258.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.6
62.25584	0.4
99.92590	6.5
116.92871	100.0
117.92870	0.7
145.95912	0.5
156.90912	4.4
168.93852	0.5
176.98134	3.5
198.91920	2.9
248.60037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0225
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
57.03464	2.7
57.03993	1.6
59.01404	2.6
63.19329	1.6
71.01392	14.3
72.79513	1.5
73.02963	1.9
74.02503	3.8
78.95904	94.9
82.02954	1.7
83.01405	4.2
85.02964	2.2
87.00853	2.1
87.05663	9.8
96.96960	100.0
98.02505	2.2
99.00886	8.6
100.91646	1.7
111.00896	8.8
112.04073	2.3
112.98808	35.5
115.00356	2.4
127.77662	2.0
129.01921	9.3
137.07968	1.8
138.98045	2.9
144.89799	4.3
145.01477	2.5
173.00902	3.0
191.01900	2.8
197.05499	2.2
213.05225	11.6
241.04535	3.0
259.02280	15.8
259.05795	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	249.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82310	0.8
55.86411	0.7
59.01371	1.3
73.02965	1.5
78.05695	0.9
84.07983	0.8
93.03471	3.5
97.06593	14.0
98.77950	0.8
99.47897	1.0
105.03460	1.6
108.02151	1.5
109.36517	0.9
121.01603	1.0
121.02953	30.6
122.03728	25.3
123.04528	3.8
124.01676	1.4
133.02956	14.2
136.01649	4.7
137.02448	4.2
151.04013	22.6
152.04803	100.0
154.02705	4.6
160.34120	1.2
249.15042	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	249.1496
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
59.01396	13.0
61.98845	3.2
63.18947	3.5
69.03452	32.2
73.02973	13.9
79.95762	5.6
92.65340	3.7
101.05343	3.3
119.51412	3.8
205.12352	6.7
205.16086	7.3
221.15439	8.1
231.13831	25.5
249.11215	4.4
249.14998	100.0
259.52655	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	249.1861
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
51.07098	1.8
59.01391	2.4
63.39785	1.8
73.40514	2.0
86.63644	2.3
131.10777	2.2
170.30952	2.2
184.56633	2.5
192.87047	2.1
249.18613	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20014	0.6
54.51357	0.7
58.02983	30.4
59.01395	1.1
61.98838	56.1
70.02986	8.7
72.00912	11.2
87.89553	0.7
91.05521	10.0
103.92056	0.9
122.80434	0.8
130.94432	1.4
147.04533	46.6
164.07176	100.0
180.10315	0.9
206.08247	54.0
207.96918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82891	0.9
58.02980	59.0
59.01394	2.2
70.02990	5.9
72.00909	9.7
72.09594	1.0
72.14890	1.1
91.05515	8.3
96.02348	1.0
115.31664	1.0
119.13947	1.1
122.34330	1.0
128.53119	1.0
147.04527	49.8
158.61743	1.0
162.07837	1.2
164.07187	100.0
206.08258	68.5
228.88344	1.3
271.44806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12401	0.7
62.30726	0.7
64.14959	0.8
73.02959	0.7
73.15820	0.7
80.16586	0.8
81.87047	0.9
92.10816	2.4
93.03450	3.6
97.06588	9.4
105.03444	1.6
108.02197	3.7
121.02950	32.4
122.03734	24.8
123.04517	5.6
124.01674	1.1
133.02957	14.3
136.01604	2.9
137.02454	4.7
151.04007	22.1
152.04799	100.0
153.05513	1.1
154.02766	4.8
169.12221	0.9
174.77409	0.9
176.46207	0.9
177.01965	1.3
229.59984	0.9
249.14980	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	249.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01273	0.5
56.35977	0.6
58.91262	0.5
64.65782	0.5
64.90850	0.5
73.02944	1.1
73.57214	0.6
93.03447	3.2
95.05031	0.6
97.06593	11.4
99.58558	0.7
105.03475	3.4
108.02168	2.7
121.02953	34.9
122.03740	23.3
123.04547	4.4
124.01649	2.2
133.02953	12.7
136.01660	4.2
136.20869	0.6
137.02440	5.6
146.97861	0.6
151.04013	19.4
152.04802	100.0
154.02701	3.3
164.22318	0.6
167.49287	0.6
208.86877	0.6
215.22990	0.5
223.09625	0.6
249.14841	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	249.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93216	0.6
58.76677	0.6
59.01393	0.8
62.35864	0.6
65.21972	0.6
73.02962	0.8
80.79805	0.7
93.03461	1.7
95.05045	1.0
97.06595	11.5
105.03487	4.5
108.02200	4.1
121.02951	34.3
122.03737	22.0
123.04490	5.8
124.01669	1.0
133.02948	14.4
136.01714	2.7
137.02464	3.8
151.03999	22.0
152.04797	100.0
153.78053	0.8
154.02756	4.6
169.12320	1.1
213.11440	1.5
228.88158	0.8
244.11299	0.8
249.11388	0.8
249.15053	1.3
250.53447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55524	3.4
59.01386	3.5
66.08875	2.9
70.64027	2.8
71.02418	3.3
72.51744	2.9
73.02946	7.0
77.48138	2.8
127.07674	7.5
143.80049	3.0
144.10712	3.4
168.00392	3.3
181.12337	50.5
201.08980	3.5
203.10567	18.8
209.18098	3.5
219.10091	5.6
221.11685	12.6
222.56950	3.0
223.13153	92.3
233.08113	7.4
235.09529	12.9
237.11115	19.0
249.11098	100.0
249.15083	11.5
265.10596	21.8
267.12152	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50426	0.4
55.28736	0.4
59.73210	0.4
69.03468	2.2
71.01376	0.7
73.02972	0.8
84.02162	2.3
92.82225	0.5
97.02931	0.5
97.06588	20.1
97.07201	0.9
115.93524	0.4
116.44875	0.5
121.02946	9.9
122.03763	2.2
123.04559	1.0
129.03490	0.5
135.04532	4.3
136.05302	0.9
137.02437	0.4
143.05035	0.8
146.03754	14.3
147.04536	60.7
149.06123	0.6
150.03210	0.6
151.03964	0.8
159.04520	12.3
161.02420	2.4
161.06091	41.8
162.03264	0.4
162.06894	3.2
163.04066	0.6
163.07628	0.8
165.01921	0.4
167.03564	0.7
171.04567	2.1
172.05322	8.2
173.06104	5.5
174.03226	1.0
175.04015	33.0
175.07541	3.3
175.35056	0.5
176.04692	1.0
177.05605	2.7
179.03410	0.5
179.17827	0.5
185.05984	0.7
187.04057	1.8
188.04782	5.3
189.05597	18.2
190.06375	33.0
191.07132	0.8
191.10764	1.8
201.05643	7.3
201.09358	0.8
202.06418	0.9
203.07138	3.8
204.04333	0.8
204.07967	2.1
205.05048	3.7
219.06697	0.7
219.10291	9.8
220.07431	100.0
221.07834	0.5
232.90810	0.4
249.11340	93.8
250.11594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1133
Annotation	Sohirnone C
Peak:m/z	Relative Intensity
52.99052	0.5
58.96647	0.5
61.47704	0.5
75.08626	0.6
80.30293	0.5
85.65417	0.6
92.35399	0.5
102.55991	0.7
107.05009	0.9
122.03702	0.9
123.04518	2.8
135.04547	2.2
136.05312	3.2
145.55116	0.6
148.05312	6.9
150.03256	2.9
152.04738	0.7
161.06038	0.6
162.06873	10.7
163.11284	5.0
166.06339	1.4
177.05579	0.8
180.04219	0.7
190.09987	2.2
191.10797	100.0
192.07927	0.8
192.11098	1.3
194.05885	3.3
201.09183	0.6
216.19286	0.6
221.11856	33.7
222.09012	1.2
249.11340	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0976
Annotation	Isoevodionol
Peak:m/z	Relative Intensity
52.04174	0.6
52.63344	0.6
56.87650	0.6
59.01390	1.5
59.28141	0.7
72.44608	0.8
76.55968	0.6
80.33224	0.6
95.05105	0.7
113.94946	0.7
119.05100	0.7
134.03767	3.0
135.04523	4.3
137.02495	0.9
140.24112	0.7
146.03740	2.8
147.04541	3.5
159.04533	11.7
160.05226	0.8
161.02443	21.9
161.06058	9.6
162.03239	12.3
163.03999	9.1
171.08179	0.9
172.05225	0.7
173.06090	3.6
174.03215	10.2
174.06812	1.7
175.04004	100.0
176.04526	1.0
177.01906	6.7
185.11810	8.5
186.95563	1.0
187.03995	6.3
187.07642	9.4
188.04793	30.3
189.01933	4.3
189.05580	84.1
190.06346	11.4
194.02162	7.9
197.06099	1.0
197.11819	1.1
199.07693	7.9
200.04814	1.3
201.05621	1.1
202.06386	3.1
211.13423	18.1
217.05103	4.3
217.08705	21.7
218.05864	71.4
219.06326	0.9
219.10306	0.9
222.05342	11.1
229.14481	1.0
247.09776	85.4
248.09843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	Viscosumic acid
Peak:m/z	Relative Intensity
57.66786	9.1
59.01389	69.8
59.42764	9.9
60.86199	9.3
64.87083	10.4
81.03470	25.6
87.08719	11.1
97.06600	45.4
102.61460	10.9
108.13891	11.6
109.04398	15.7
114.38245	10.4
121.02943	14.5
125.09689	14.3
129.07004	10.9
132.98181	26.8
145.06668	16.2
147.08127	86.4
174.99246	45.4
186.95660	100.0
203.14461	73.6
245.11807	11.4
247.13451	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.19893	0.1
59.01376	0.2
70.10879	0.2
78.78534	0.1
78.93964	0.2
82.00172	0.2
92.64958	0.2
103.25801	0.2
231.13911	0.7
247.17041	100.0
248.17422	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	249.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94290	0.3
59.01384	1.7
60.56663	0.3
67.66801	0.3
73.02948	0.6
79.96803	0.4
83.01378	0.4
86.26377	0.3
108.02188	0.8
121.02956	8.4
123.04503	0.7
123.68918	0.4
131.04996	0.6
134.03735	2.1
145.02988	4.0
146.03748	0.8
147.04555	0.6
149.06097	0.6
159.04530	5.3
160.05296	5.0
161.06029	0.7
162.03168	0.5
174.03265	0.9
175.04016	2.0
175.07643	0.5
176.04803	2.3
177.01996	0.6
187.07666	0.6
189.01767	0.5
189.05571	1.8
190.06400	3.0
191.10869	0.6
203.03522	3.6
204.04300	100.0
205.04642	0.7
205.08647	0.6
219.06641	34.9
220.07323	0.9
234.05325	0.7
249.07700	12.9
249.11217	1.5
249.15031	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	245.1297
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
53.37249	0.1
56.25093	0.1
59.01395	0.9
60.73074	0.1
70.59240	0.1
71.61525	0.1
86.02493	0.2
92.05074	0.2
92.74996	0.1
116.03636	0.1
116.05067	3.1
135.30980	0.1
140.05055	0.9
142.06628	100.0
143.06998	0.6
171.09264	0.2
183.09248	0.1
186.05621	9.2
215.08328	0.1
245.09346	0.7
261.59241	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	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72345	0.9
52.89223	0.7
58.00604	1.1
69.27592	0.7
73.59076	0.9
77.92572	0.9
80.02677	1.4
81.03445	1.2
83.05047	5.8
84.02187	1.7
86.26827	0.8
92.10767	1.3
115.25430	0.8
119.84313	0.8
125.09718	6.1
127.11303	9.0
140.55818	0.9
155.10803	5.1
163.11302	5.2
165.09262	4.3
165.12868	4.0
171.10274	5.3
183.10205	1.3
199.09843	3.9
201.11356	94.0
209.11858	100.0
227.12891	14.7
245.14049	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	246.0171
Annotation	Pyridoxal-5'-phosphate hydrate 
Peak:m/z	Relative Intensity
50.97969	0.3
51.44800	0.3
58.72792	0.3
59.01383	2.5
62.96408	0.9
71.01385	0.3
76.49953	0.3
78.95898	94.4
96.96954	100.0
99.92607	0.4
112.04036	0.4
116.92863	0.5
118.78158	0.4
128.03568	0.6
130.05101	0.6
138.05730	0.5
148.04102	0.8
166.04990	0.5
185.59319	0.5
186.95631	0.4
228.00706	1.5
246.01791	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35480	0.3
57.10463	0.3
59.01405	0.3
69.03458	0.4
71.08661	0.2
71.67685	0.3
79.21139	0.3
83.05028	0.4
106.14901	0.3
129.51604	0.3
155.10855	0.3
167.10823	0.5
167.14394	1.6
183.13890	11.2
193.12357	3.1
194.76772	0.3
211.13412	100.0
212.13712	0.6
245.32944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	6.8
59.01387	62.6
64.68147	3.3
66.12640	3.6
71.01376	14.4
72.02204	3.2
72.99327	3.7
78.95910	5.6
81.03461	3.4
85.02931	4.5
87.00878	100.0
87.85806	3.8
89.02459	43.2
93.03431	6.0
95.05037	5.2
97.06597	21.6
99.08187	8.6
99.92606	4.3
107.05029	4.6
108.02242	4.6
109.06557	4.6
111.04527	15.3
111.08195	5.4
116.92858	3.7
123.32652	4.1
127.07659	75.2
129.09241	7.0
130.08742	6.5
137.06131	6.8
139.07652	13.4
155.07158	38.3
165.77896	3.5
167.07167	13.6
180.80486	3.6
227.10429	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	243.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
57.12154	1.1
57.66247	1.0
58.00600	1.9
59.01381	45.7
71.01117	1.0
71.01387	15.5
71.04987	1.6
72.02174	5.3
72.86732	1.3
72.99301	1.6
74.66696	1.0
80.02709	1.7
81.07109	2.7
83.05039	5.5
84.02170	2.6
86.00093	7.3
86.87552	1.1
95.05029	25.9
97.06601	6.3
99.08158	27.7
107.05031	53.1
109.06579	6.2
110.03726	1.4
111.08154	1.6
113.06066	11.2
123.04517	3.1
125.06087	28.3
127.07656	15.7
137.06142	5.0
146.98250	1.3
155.07150	100.0
163.11267	7.8
171.10275	26.2
181.12383	14.5
183.10263	30.7
189.09244	2.2
207.10251	11.3
225.11337	26.1
243.12398	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.70434	2.2
71.05039	4.7
77.59678	1.9
96.09113	1.8
97.02970	5.5
97.06601	2.3
99.00872	18.9
110.03748	3.3
125.09703	11.3
163.11276	12.9
171.10295	3.2
181.12357	31.2
197.12024	2.4
199.13443	24.2
207.10286	69.7
225.11351	99.0
243.12393	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	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
56.59129	0.5
57.03458	0.7
59.01376	1.2
65.66479	0.6
71.01397	0.6
71.05019	4.2
81.75776	0.6
83.05041	1.0
92.10203	0.7
97.02950	5.3
97.06609	2.2
99.00871	16.6
109.06584	1.2
110.03753	3.4
125.09729	7.4
135.08243	0.7
142.02718	0.9
153.12917	1.0
155.14415	2.2
163.11311	9.6
169.12375	0.8
171.10310	5.3
179.10825	0.6
181.12340	23.0
185.97620	0.6
197.11885	4.1
199.13419	26.5
199.15268	0.9
200.13741	0.6
207.10291	51.1
214.15668	0.5
225.11349	68.3
243.12395	100.0
244.12837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
55.90375	2.6
59.01384	41.6
61.98849	3.6
68.16107	2.7
71.01384	21.8
73.02966	2.9
78.83121	2.7
80.02691	6.6
81.03452	25.9
83.05042	18.3
84.02179	15.2
95.05047	3.6
95.58025	3.2
97.02940	23.1
107.05046	5.6
109.05867	6.0
109.06594	91.6
110.03729	7.2
121.06600	6.4
125.09754	6.1
133.76901	3.2
135.08139	23.5
136.05305	6.4
142.02719	26.1
161.09726	6.7
163.11276	54.7
165.09117	3.1
171.10303	6.7
175.04100	3.5
176.04770	24.6
181.12340	13.2
185.11777	5.0
199.09781	5.0
205.08720	13.2
207.10287	100.0
211.13434	6.9
211.32735	3.9
225.11305	32.5
243.12341	4.7
247.28400	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	240.1607
Annotation	Valeroidine
Peak:m/z	Relative Intensity
54.01082	2.9
59.01392	12.5
61.98851	4.0
63.77646	3.1
66.03535	2.8
71.01360	4.3
71.38650	2.5
73.91753	2.7
76.56903	2.7
82.06638	6.5
83.03770	5.5
84.04577	3.6
84.08200	4.3
86.06103	3.0
89.02443	3.5
90.41256	2.9
96.04549	100.0
99.08183	17.1
110.06134	5.0
112.07681	65.2
113.09765	3.5
127.07650	43.7
143.10794	49.4
148.11322	3.6
181.07191	7.6
240.16101	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	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.05332	0.6
52.53027	0.6
53.06071	0.7
59.01384	4.1
64.12877	0.7
71.01379	3.5
87.00883	3.7
89.02413	1.1
101.02481	1.1
112.63261	0.7
123.46649	0.7
137.52361	0.7
151.11264	1.6
169.12338	100.0
170.12695	1.0
173.85075	0.8
179.10799	1.1
181.07184	8.0
197.11809	19.9
213.11258	0.9
223.09683	1.3
241.10838	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37817	0.8
55.98382	0.9
59.01384	5.7
61.98838	1.2
64.56989	0.9
70.28259	0.9
71.01398	4.6
76.50311	1.0
87.00896	5.0
89.02459	2.4
92.10209	1.2
101.02444	2.3
130.66470	1.0
151.11259	1.3
169.12349	100.0
181.07213	10.8
197.11874	18.5
223.09816	1.8
241.07263	2.4
241.10837	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	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.03957	0.8
57.03430	0.9
59.01387	3.4
61.98837	1.1
69.03458	1.7
71.01392	4.8
71.05018	5.3
87.00892	1.0
89.02460	3.1
95.57622	0.9
101.02454	1.5
125.09707	1.7
151.11252	0.9
153.12817	4.3
167.00858	0.9
179.10786	6.4
181.07158	9.9
197.11841	100.0
198.12105	1.3
223.09787	6.2
241.10823	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
60.35854	1.0
63.34150	1.0
69.03446	2.7
69.08572	1.0
71.01385	1.3
71.05017	4.6
81.63664	1.2
82.42344	1.0
83.04991	1.1
92.10743	1.3
95.56541	1.1
151.11276	1.8
153.12912	2.1
161.09654	1.4
162.55750	1.1
179.10780	6.9
197.11839	100.0
241.10817	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.186
Annotation	Hanamyol
Peak:m/z	Relative Intensity
52.45187	2.1
52.88591	1.8
59.01382	46.2
61.98840	3.3
63.34897	1.9
64.34799	2.1
66.12419	2.3
77.73799	2.4
92.10027	4.0
116.66576	2.2
165.81175	2.2
199.85027	3.5
237.18619	100.0
253.64725	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	238.1449
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
51.73737	1.8
57.03469	1.7
59.01393	11.9
68.01438	1.7
70.02998	2.0
71.01395	9.1
72.02182	11.8
75.44186	1.7
82.06642	8.1
83.03796	3.0
84.02186	7.7
84.04549	3.0
84.08187	3.9
86.06107	3.6
89.02461	3.8
96.04544	78.8
97.06578	37.3
107.05028	2.5
110.06145	9.1
111.08185	7.9
112.07687	74.4
123.08158	4.0
123.18607	2.0
125.06088	100.0
141.09218	24.1
142.72084	1.9
148.52895	2.0
160.15511	2.4
162.87920	2.0
168.06694	3.5
193.05032	1.8
220.13501	9.6
238.14470	10.4
247.75124	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	239.2017
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
59.01394	15.0
60.26615	0.7
61.98837	1.1
69.01717	1.1
71.01396	4.0
88.69666	0.8
89.02460	4.9
179.05664	1.5
184.53893	0.9
223.02814	4.0
239.20184	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	240.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63940	0.3
59.01388	2.5
59.27115	0.4
59.43757	0.3
61.98831	44.1
71.01373	0.6
72.02049	0.4
77.04063	0.5
81.03468	0.8
81.18633	0.4
83.94702	0.5
85.91284	0.4
89.03967	4.2
92.36737	0.4
103.92041	0.6
104.61147	0.4
105.03457	8.7
133.02943	18.1
149.02425	2.6
177.01935	100.0
178.02287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	9.8
61.98848	1.4
65.03971	2.9
79.64226	1.0
81.07098	100.0
83.05038	1.3
98.49800	1.1
145.45799	1.1
159.23116	1.3
161.09639	1.9
172.79109	1.1
173.31943	1.2
193.12334	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	237.1132
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
57.03464	24.3
57.47200	3.3
58.54853	3.2
59.01381	33.4
59.14664	3.3
61.98842	4.3
66.32623	4.0
70.38357	3.4
76.06284	3.7
81.03419	10.7
93.03435	4.0
95.05041	5.3
97.02991	7.6
100.97208	3.9
109.06590	7.6
111.80406	3.4
121.02962	5.8
121.06639	4.6
122.03733	9.2
123.65414	3.5
133.06648	4.4
135.04526	9.2
137.06084	15.0
149.06097	6.1
149.09732	8.4
151.07635	5.4
159.43701	3.8
161.06065	14.6
163.04059	4.0
164.04785	4.6
164.08420	14.8
165.09216	42.0
175.07655	9.1
177.09219	63.8
179.07153	100.0
181.08698	4.8
182.01468	3.7
186.07028	3.8
191.10735	7.6
193.08771	6.6
204.07901	15.7
204.25993	3.6
207.10323	32.9
219.10320	66.2
237.11353	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	237.1497
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
54.82719	2.2
57.03452	21.1
59.01383	25.5
60.11385	1.8
61.56421	2.1
61.98843	10.5
77.57586	1.8
83.05042	2.8
110.60533	2.1
179.10757	9.8
193.15973	2.1
194.98329	3.7
195.13913	4.5
231.47586	3.1
237.14978	100.0
250.62155	2.4
256.34766	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83096	1.2
55.01897	5.5
55.33533	1.1
57.03461	22.1
59.01385	100.0
60.31792	1.3
67.01907	6.0
68.99843	5.2
71.01379	87.7
72.99304	2.2
73.02936	12.7
76.04258	1.2
83.01382	19.8
85.02942	10.6
87.00879	6.9
92.10210	1.8
93.13425	1.5
99.00864	47.1
111.00872	23.9
111.01563	1.8
112.98814	9.2
115.00372	2.3
129.01926	27.2
165.84592	1.2
173.00917	6.0
192.56268	1.3
198.25046	1.2
232.83347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63784	0.5
51.73047	0.5
52.84602	0.5
59.01383	50.7
59.56817	0.5
63.95135	0.6
64.34411	0.5
67.01900	0.7
70.36236	0.6
71.01408	1.0
75.00900	0.8
76.84864	0.6
80.43612	0.5
82.18889	0.6
89.03992	2.4
93.03465	5.6
94.49129	0.6
95.71909	0.7
100.25366	0.6
101.86230	0.7
117.03470	8.3
135.08199	1.2
161.02441	4.2
163.11317	1.3
173.04555	2.7
188.98505	3.4
189.01945	100.0
190.02296	0.9
203.03557	0.8
218.05859	37.0
232.97681	1.0
233.08162	9.8
233.15497	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	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82835	0.5
55.78363	0.5
59.01384	21.2
61.88535	0.5
66.47212	0.5
67.09009	0.5
73.67180	0.5
74.99063	7.1
89.83333	0.6
91.02222	0.9
92.10162	0.9
93.00136	4.0
93.03472	1.4
103.09292	0.6
103.73148	0.6
134.99400	10.6
135.08189	0.6
136.97331	3.7
148.03770	0.6
149.00963	79.2
150.01016	0.6
150.98930	0.7
153.15395	0.6
159.08507	2.3
161.06409	6.1
173.04538	0.7
190.98935	0.6
199.21861	0.6
204.73431	0.7
215.05742	1.3
217.07236	100.0
218.07425	2.6
225.99208	0.7
233.10359	73.9
233.15465	3.2
234.10324	1.1
254.43277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.15
Annotation	Huperzine W
Peak:m/z	Relative Intensity
55.65586	0.4
56.83013	0.3
59.01382	5.5
61.23142	0.5
93.06268	0.4
93.55872	0.4
131.08295	0.5
140.75893	0.4
142.04689	0.4
142.11496	0.4
152.98630	0.5
207.13785	0.5
218.11884	2.6
234.15004	100.0
235.15369	0.9
251.11726	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	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67074	0.4
58.82175	0.4
59.01383	8.3
62.10677	0.4
65.20359	0.4
88.00394	0.8
118.06606	1.8
138.54283	0.5
147.04514	2.4
147.58394	0.4
164.07178	100.0
165.07480	0.7
192.06686	2.7
236.05637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68784	0.9
52.01181	0.9
59.16351	1.0
61.01274	1.0
61.98838	1.3
70.21152	0.9
92.10104	2.3
98.70489	1.0
134.03699	1.2
148.05298	17.4
149.09720	1.2
176.08380	1.4
177.09206	67.7
192.09827	2.0
192.11560	46.3
192.13245	2.2
204.40401	1.1
206.29082	1.2
217.08685	4.6
218.09485	11.1
236.10548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57632	0.9
55.01884	18.7
57.03455	18.2
59.01384	14.9
62.23900	1.3
68.11754	1.4
71.01380	16.7
72.99306	17.4
73.02963	6.5
75.00876	17.4
81.03462	1.4
83.01385	37.7
84.02187	3.1
85.02952	100.0
86.64246	1.2
87.00938	2.9
87.66795	1.2
99.00881	8.8
99.18846	1.4
101.02448	9.5
111.00880	35.4
112.98824	8.3
125.02449	7.4
129.01942	8.5
143.03528	8.8
161.04541	1.7
173.00829	1.7
205.03546	21.7
215.24261	1.5
237.06116	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	231.1238
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
51.35786	0.5
59.01382	40.5
78.90807	0.7
87.92539	2.3
99.40899	0.6
122.03735	2.7
125.09672	0.8
127.11292	3.6
151.11290	3.3
152.03543	33.7
155.10783	1.4
167.10770	1.1
169.12340	29.6
171.10269	100.0
177.04181	0.6
185.11829	6.2
192.81462	0.7
213.11375	10.8
231.12386	41.8
231.99205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	74.4
65.58627	4.1
68.96025	4.4
73.01199	7.3
80.64022	4.6
85.93002	9.6
92.10724	5.3
96.04574	30.2
98.99115	4.7
99.58681	4.8
101.92525	5.7
108.04548	39.1
114.00198	100.0
122.06122	44.2
123.70718	4.7
124.04086	4.4
126.05537	5.4
133.09515	5.0
137.08565	4.3
140.07198	49.1
142.03329	76.7
170.08240	5.5
170.88393	18.1
172.22847	4.5
172.33138	4.4
186.02315	30.6
192.49187	5.0
230.01294	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0668
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
52.18155	0.9
72.04539	13.5
82.02974	29.3
83.01388	10.0
84.04562	9.7
85.02950	1.2
92.10820	2.5
98.02459	30.3
99.00911	1.6
99.57542	1.3
100.04036	2.8
102.05604	100.0
108.50821	1.2
110.06124	1.1
112.07638	1.3
114.09245	21.7
126.01958	2.7
129.53760	1.3
140.07207	2.0
141.21698	1.3
148.22523	1.1
150.05574	2.7
154.04172	1.1
168.06685	25.3
184.06126	2.0
186.07744	14.7
212.05721	9.9
214.48969	1.2
230.06726	36.3
230.10252	1.5
240.94255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03459	2.0
60.42844	0.3
68.54217	0.3
71.05013	0.6
84.02188	0.4
85.02965	0.7
97.06596	1.4
123.08149	0.5
125.06042	0.5
125.09724	4.9
127.11280	5.6
129.09251	0.5
137.09782	0.3
137.43024	0.3
155.14432	3.2
163.11351	0.3
165.12782	0.5
167.14413	2.2
171.10301	0.4
175.76062	0.3
183.13902	1.3
185.11885	2.9
209.11865	2.7
211.13432	10.0
229.14456	100.0
230.05188	0.3
230.14784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1559
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.71806	0.7
59.01388	0.8
92.66296	0.9
100.14917	0.8
112.29755	0.9
114.09291	1.2
115.08782	7.0
116.92863	1.7
130.08730	43.9
149.89375	1.1
152.31219	0.9
168.95584	0.9
181.92311	1.0
185.16600	35.2
197.13504	0.9
229.15587	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40151	0.7
69.63545	0.7
80.02670	3.0
81.03486	1.4
83.05045	6.7
84.02166	8.0
92.10809	2.1
135.08116	1.6
148.65462	1.0
156.48152	0.9
163.11299	8.9
165.12862	4.3
191.10753	1.5
209.11855	100.0
227.12970	1.6
247.96785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.45852	0.6
53.35334	0.6
53.54081	0.6
58.60168	0.6
62.25221	0.7
95.05032	1.0
102.19214	0.8
113.06078	3.1
139.11290	5.4
142.73169	0.9
151.11310	1.8
153.12865	5.7
165.12814	3.3
181.12372	3.0
199.13373	7.0
209.11829	14.0
227.12907	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	229.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48097	10.1
69.03442	11.2
74.67371	8.3
80.64199	11.5
93.17833	9.7
95.01397	12.3
98.66028	10.3
99.34335	9.7
112.82969	11.2
115.92123	11.8
116.92877	100.0
136.06427	12.7
195.68361	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	229.1082
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
53.54074	0.7
55.67229	0.8
57.03469	3.4
69.03468	1.2
74.47137	0.8
93.29534	0.8
102.53210	1.2
106.06662	1.8
125.09723	3.7
139.11337	1.2
141.12891	1.9
155.10828	1.3
167.10828	3.1
171.10364	0.9
178.57729	0.9
185.11844	100.0
186.12227	1.6
201.11292	1.4
229.10825	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64206	0.5
62.74741	0.4
65.12192	0.4
85.00330	0.5
92.52666	0.4
100.46739	0.4
111.08137	0.5
133.39897	0.5
161.08400	0.7
165.12851	18.0
183.13913	100.0
209.11790	0.6
227.12932	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	227.1291
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.66785	1.8
57.03452	85.1
59.57287	1.6
68.48117	1.6
69.03452	100.0
83.05005	14.6
92.10166	2.1
92.65118	2.0
113.09721	2.9
114.36761	2.0
119.08571	2.1
123.67093	2.9
127.07728	2.6
139.11276	19.1
153.12857	73.1
153.14075	3.1
165.12869	11.4
183.13890	41.0
197.71649	1.9
199.90454	1.8
209.11870	25.3
227.12933	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	227.1289
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.36818	0.3
55.01876	0.6
56.85738	0.4
63.43036	0.4
63.86023	0.4
66.99686	0.4
70.97141	0.4
71.05025	0.6
80.02689	2.7
80.45185	0.4
81.03470	2.5
81.81992	0.4
83.05035	7.1
84.02176	6.5
87.38129	0.4
89.98528	0.5
95.05026	0.6
97.06560	0.7
107.21623	0.4
135.08159	0.8
163.11288	8.8
165.12836	4.9
181.12392	0.8
191.10799	2.1
209.11865	100.0
210.12225	1.7
227.12921	1.9
243.26366	0.5
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	Unknow
Peak:m/z	Relative Intensity
54.24688	0.7
55.01878	0.9
59.01382	14.9
61.69524	1.0
69.03465	3.8
71.01376	1.2
71.05042	0.9
80.02670	1.6
81.03457	7.4
83.05036	3.6
84.02152	1.7
85.02965	0.8
95.05027	1.7
97.02929	14.3
97.82288	0.8
99.00842	1.4
99.04537	1.2
107.05060	1.3
109.06595	38.5
109.07360	1.6
109.13641	0.8
110.03716	8.3
111.04507	1.0
121.06579	3.8
135.08177	7.4
136.05278	2.1
137.02425	1.0
137.09708	1.0
142.02693	10.2
161.09608	3.0
163.11296	28.1
165.09146	1.1
179.10696	1.6
181.12343	15.5
207.10284	100.0
208.10730	1.2
225.11354	76.0
232.51273	0.9
233.52820	1.0
239.60147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1611
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
54.82194	1.2
59.01389	2.5
64.46283	1.1
81.03452	17.6
83.05024	100.0
89.02477	1.8
93.03465	2.4
98.93519	1.1
112.72444	1.1
114.80474	1.1
121.92295	1.6
125.07188	4.1
143.08253	2.3
151.07698	1.3
162.03200	1.6
163.04031	1.5
207.15018	12.8
208.05214	1.2
210.05374	1.4
225.07755	1.5
225.16112	95.8
226.16534	1.4
230.78864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
53.52475	0.7
57.88846	0.7
59.01391	6.1
61.98838	8.6
65.00332	7.1
68.99836	1.7
71.57554	0.7
78.62653	0.7
93.03459	1.8
98.40901	0.8
136.98775	1.8
143.99080	0.9
151.00308	1.0
152.61847	1.1
225.18614	100.0
243.24352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20657	1.2
57.03445	8.2
58.72989	1.4
58.77193	1.3
59.01399	8.5
60.95978	1.5
62.13136	1.4
66.36334	1.6
68.99810	2.8
71.01376	35.5
73.02943	3.5
74.78460	1.4
83.01402	8.0
83.79740	1.7
85.02953	7.0
86.11199	1.5
87.00882	3.1
94.10548	1.7
99.00880	37.9
111.00864	29.4
112.98814	100.0
115.00354	3.2
124.70934	1.6
129.01942	12.4
129.31039	1.8
142.99863	10.3
144.34151	1.6
165.18915	1.8
173.00903	25.8
191.02039	3.6
226.99609	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	227.0927
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
53.76105	0.5
59.43049	0.4
71.01362	0.5
72.99307	100.0
75.00861	4.7
108.05749	0.7
110.91943	0.5
122.03777	0.9
125.06072	1.0
131.02342	0.5
138.06865	2.8
139.07649	5.2
151.07661	4.8
152.08446	5.0
153.09193	2.1
165.09196	5.0
171.31459	0.7
209.08189	2.5
227.09277	37.4
227.20235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95839	1.8
58.00606	11.0
89.97623	2.0
113.41006	1.9
153.12926	2.2
158.09634	2.0
165.12865	3.9
181.07123	2.9
181.12303	4.2
183.13889	9.1
199.13428	44.8
209.11848	17.9
227.12912	100.0
227.16409	2.5
227.20218	2.8
230.43816	2.2
247.09398	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	227.1291
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03459	20.6
63.29896	1.0
69.03456	23.0
71.01389	5.4
71.05009	22.0
85.06604	5.0
96.85674	1.5
111.08138	8.6
113.02434	6.9
114.33384	1.0
115.89470	1.3
125.09735	7.7
137.09729	10.9
149.22159	1.3
153.09261	6.3
153.12888	6.2
155.10786	21.6
165.09148	1.7
165.12834	2.4
181.12335	26.2
183.13884	28.2
209.11813	6.6
227.12906	100.0
227.20273	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10483	1.7
50.31366	1.6
51.63110	2.2
59.01395	10.4
71.01370	3.3
71.05011	2.1
71.24957	1.9
73.48983	1.9
74.02849	2.1
74.52990	2.3
78.31544	2.0
81.03486	2.1
83.05041	3.4
92.10136	4.7
92.66457	1.8
95.05042	14.7
97.02943	3.3
99.04520	3.7
104.71208	2.2
106.04250	2.6
109.06605	12.8
110.03738	9.0
119.80577	2.0
151.11368	2.9
159.74947	2.2
161.09753	5.0
163.11295	29.0
169.12343	3.5
181.12271	5.2
189.09175	13.8
197.11868	5.4
207.10281	48.6
225.11346	100.0
225.13536	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	Unknow
Peak:m/z	Relative Intensity
52.29789	1.0
59.01370	1.8
66.31120	1.2
97.02957	14.3
97.69485	1.5
109.06604	5.7
110.03728	10.9
125.09729	1.6
135.08180	3.2
136.05313	2.0
142.02740	2.7
148.59767	1.3
163.11279	18.5
181.12341	40.4
197.11877	1.6
207.10277	93.3
225.11333	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12083	1.0
55.01910	2.4
57.18701	1.0
59.01381	19.0
64.25755	1.0
69.03461	2.3
73.70797	1.2
80.02686	1.7
81.03447	13.2
83.05042	8.7
84.02166	9.8
86.89874	1.3
92.10648	1.5
95.05025	1.4
97.02934	14.3
97.06654	1.4
102.14294	1.2
107.05038	1.4
109.06590	72.6
110.03736	9.6
121.06578	6.9
122.93202	1.5
135.08174	12.1
136.05330	2.4
142.02724	7.2
161.09731	3.0
163.11295	38.9
181.12323	15.1
183.84718	1.2
207.10283	100.0
225.11353	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43218	2.9
59.01388	27.9
68.18508	3.2
68.99828	18.1
71.01381	8.3
89.02457	5.7
92.10088	4.4
92.17494	3.8
92.65673	4.3
93.03483	6.5
93.07089	3.6
95.05058	15.6
97.02927	5.9
97.06603	5.5
103.05536	5.1
105.07129	15.1
106.04277	6.1
107.05060	7.9
109.06606	24.3
110.03755	9.6
119.05038	6.2
120.05801	61.0
121.02968	16.2
121.06586	51.0
123.08170	34.8
123.47587	3.5
133.06575	5.9
134.03743	4.9
135.08148	34.0
136.05461	4.3
137.02486	8.9
137.06058	6.2
149.06087	63.9
149.91241	4.1
161.93852	3.8
163.11279	25.7
166.06442	30.3
173.49628	4.4
179.07077	4.7
181.08720	61.1
189.09157	5.2
193.05142	5.4
207.10249	59.6
210.05396	5.5
225.07777	69.4
225.11333	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	225.1133
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.81073	1.9
57.48066	1.8
59.01396	10.8
68.99809	2.1
69.03073	3.2
69.03454	100.0
72.99311	2.5
76.75710	1.8
83.05034	4.0
85.02972	1.9
87.00879	7.6
87.23021	2.1
92.65696	2.0
93.03465	2.5
107.05064	3.8
113.02451	90.0
137.09645	7.4
149.09689	2.9
161.09778	3.2
163.11269	18.6
181.12413	15.5
194.85651	2.0
207.10139	2.9
207.13608	2.2
225.11299	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	225.1135
Annotation	Chloriolide
Peak:m/z	Relative Intensity
54.25943	5.0
59.01390	49.4
60.43013	4.9
61.01830	5.5
61.98838	51.7
62.04629	5.7
65.00333	10.1
71.01398	9.0
71.05067	5.8
89.02447	8.4
90.71291	5.6
97.02970	7.5
109.06612	25.1
142.02711	8.4
162.92389	5.7
163.11322	8.7
207.10289	100.0
225.11349	93.2
226.11865	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	225.1133
Annotation	Chloriolide
Peak:m/z	Relative Intensity
52.31073	1.6
52.80896	1.7
52.94425	1.7
53.79038	1.7
58.00618	2.1
59.01373	15.0
69.03444	2.0
71.01384	4.9
73.02953	1.8
73.78462	1.6
80.02682	2.1
83.05076	1.8
84.02155	3.5
88.25497	2.1
89.79435	1.8
93.03417	2.3
95.05025	9.4
97.02940	4.9
99.04535	3.6
107.04967	2.1
109.06561	14.1
110.03738	11.0
135.08194	3.5
143.89474	2.2
149.93581	2.0
155.14732	2.2
161.09705	4.5
163.11267	24.1
179.10872	1.9
181.12315	13.1
189.09230	12.6
197.11899	3.5
207.10284	55.0
224.98827	2.0
225.11328	100.0
225.14984	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	223.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08464	1.6
54.43797	1.7
59.01381	61.0
73.02943	1.8
85.02956	4.3
86.65775	1.8
86.95311	2.1
89.02456	1.9
93.03451	34.5
117.03527	2.4
121.02948	47.5
124.48003	2.2
134.03738	42.8
134.04698	2.4
135.04529	18.9
141.01712	4.6
149.02446	98.2
149.03600	3.9
152.01151	21.0
163.04012	23.1
163.06090	3.1
164.04819	14.0
165.01967	24.5
169.05089	10.0
179.07050	2.3
179.10876	2.8
193.01421	100.0
205.12167	2.8
207.98367	2.1
208.03784	89.6
223.06149	33.7
223.09595	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	223.1342
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
59.01390	5.4
67.07327	1.3
69.03445	9.3
69.66823	1.2
92.10205	1.2
92.67625	1.1
107.72443	1.2
161.13278	1.3
162.46323	1.2
167.10762	6.8
179.10718	2.5
179.14430	9.5
189.08864	1.3
195.13930	33.4
205.12393	23.6
223.13419	100.0
232.14302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
57.03455	10.2
59.01381	14.8
64.52658	0.7
69.03451	7.8
74.83141	1.0
83.05082	1.1
85.02943	0.8
85.35397	0.7
92.10898	1.6
97.02965	5.2
97.06575	3.4
109.06611	5.6
121.06579	1.3
123.08205	3.8
129.07124	1.3
133.06615	4.4
135.08160	1.8
137.09717	1.4
139.07675	1.5
145.06596	1.3
149.09724	25.7
151.11269	10.4
153.09233	1.9
161.09709	9.6
163.11285	6.4
164.08430	10.8
171.08189	1.8
179.10780	100.0
181.12387	1.0
187.11313	1.3
202.59238	0.9
205.12381	12.9
218.07036	0.9
223.06239	1.0
223.13393	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51831	1.5
55.01888	8.7
55.24920	1.8
57.03449	24.9
57.03669	1.5
59.01388	15.5
71.01373	13.9
72.99316	15.4
73.02952	4.6
75.00877	8.3
76.14568	1.8
81.03476	2.0
83.01408	10.4
84.02187	2.0
85.02947	100.0
87.00903	3.4
99.00904	2.6
101.02441	7.7
111.00883	38.2
125.02466	7.6
129.01949	39.5
147.03029	10.3
205.03575	42.0
223.04651	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15434	1.5
53.23704	1.3
55.01891	8.0
57.03450	27.3
59.01381	15.5
68.81142	1.6
71.01366	17.3
72.99313	9.5
74.27675	1.4
75.00500	1.4
75.00890	8.5
78.25801	1.2
83.01405	10.0
85.02949	100.0
87.00900	6.9
90.18771	1.4
99.00906	1.7
99.20834	1.4
101.02456	6.6
111.00881	36.0
129.01947	39.4
147.03030	3.2
161.04691	2.0
205.03529	36.9
220.85060	1.9
222.43745	1.5
223.04605	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	223.0614
Annotation	3-Benzylmalic acid
Peak:m/z	Relative Intensity
53.12814	1.0
53.89916	0.9
54.82717	1.6
55.97246	1.1
59.01380	29.7
59.01653	1.7
59.95557	1.1
61.98843	0.9
71.05031	1.8
75.25193	1.2
83.49006	0.9
85.02967	1.8
99.27287	1.0
108.02193	6.9
117.03539	1.2
119.01395	1.0
121.02956	1.5
123.04487	8.7
134.03757	5.2
135.04587	1.4
136.05293	8.5
141.01698	2.4
149.06081	15.0
150.03218	8.6
160.76543	1.2
161.02463	5.5
162.03236	60.0
162.04588	2.3
163.06194	1.6
164.04794	100.0
165.05466	2.7
177.05560	24.7
179.07137	55.9
180.04427	0.9
181.77431	1.1
203.25087	1.1
208.03842	13.2
223.06218	20.2
223.09683	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	216.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43619	0.2
58.02982	1.8
59.01380	8.4
59.77879	0.2
61.23734	0.2
70.96967	0.2
75.06130	0.3
104.40266	0.3
128.10797	6.0
130.08728	100.0
132.98215	0.3
155.62186	0.3
167.40033	0.3
172.09795	29.2
173.10011	0.4
174.12248	0.3
174.99236	3.2
217.00330	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	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.73085	0.7
54.68634	0.7
55.08006	0.7
58.25703	0.8
59.01397	7.1
60.01736	0.9
63.40926	0.7
71.01374	13.1
71.05019	31.1
76.56609	0.8
76.57758	0.9
88.04037	100.0
99.04505	9.6
116.07175	4.1
129.05531	1.0
143.68095	0.9
146.02493	2.1
146.08238	60.8
174.01988	1.8
175.99573	1.3
180.30762	0.9
218.10353	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	219.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88259	0.2
58.51019	0.2
59.01384	100.0
60.01729	0.3
65.06131	0.1
75.04450	0.1
78.62243	0.1
87.81197	0.1
97.79659	0.2
106.10175	0.2
109.83733	0.1
127.33064	0.2
152.64609	0.2
163.65732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	70.9
58.82099	1.6
59.01383	100.0
68.04439	1.6
69.03456	32.5
76.46272	2.0
81.03439	2.4
83.05038	15.3
85.02954	29.0
95.05045	8.8
97.02932	20.8
97.06586	4.2
101.02499	2.5
107.05048	2.6
109.06564	2.9
119.05019	2.4
119.08726	2.0
121.06584	15.8
123.04510	9.0
123.08162	48.5
133.06601	8.6
135.04529	46.8
135.08148	4.1
136.05307	2.9
137.09727	4.1
144.50331	2.1
145.06625	3.7
147.04590	4.0
148.05351	4.6
149.09718	19.7
151.07658	81.4
151.11328	8.5
160.08929	7.8
161.09744	33.5
163.07671	18.9
164.08479	7.8
165.09157	2.2
173.06075	4.2
175.07709	7.1
175.11298	3.2
176.08365	2.2
177.09245	23.2
179.10791	82.4
187.07678	10.9
188.08421	37.0
191.10808	12.0
193.12323	3.0
203.10808	86.0
209.25836	1.8
221.11830	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.0
57.03452	20.3
59.01381	10.6
67.01933	0.7
69.03469	2.6
71.01380	9.5
72.99303	42.2
73.02946	3.8
75.00859	10.0
76.40115	0.6
78.71862	0.6
81.03450	18.0
83.01372	8.6
84.02170	2.4
85.02945	92.3
87.00879	6.9
89.02429	0.8
97.02933	1.4
99.00875	18.0
99.04565	0.7
101.02438	8.0
103.00375	0.9
103.04035	1.3
111.00880	24.5
113.02448	7.4
117.01941	4.8
125.01501	1.3
125.02438	49.7
129.01935	100.0
130.02203	0.7
131.03468	1.0
143.03471	7.4
147.02997	27.2
150.16580	0.6
161.04558	3.2
169.01418	2.5
187.02457	2.9
192.09923	0.7
205.01596	1.3
205.03545	47.2
223.04605	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
58.08113	0.4
60.72303	0.4
64.29907	0.5
68.08687	0.4
78.85632	0.5
82.13010	0.6
90.73685	0.4
91.06875	0.5
119.70632	0.5
151.11278	10.7
169.12344	100.0
170.12698	1.2
195.10297	1.2
213.11345	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	213.1134
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
51.35292	0.6
52.15866	0.6
59.01381	1.7
68.99825	3.4
95.18927	0.8
113.09814	0.8
139.11281	1.7
141.12888	0.7
151.11302	1.8
155.10777	2.9
167.10776	4.8
185.11838	100.0
186.12178	1.0
195.10310	16.4
202.29012	0.7
208.94389	0.9
213.11353	97.0
222.50494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01881	17.5
57.03434	1.3
69.03452	2.1
71.05023	2.0
80.02706	1.2
83.05001	9.2
84.02180	1.9
85.06588	10.9
95.05013	18.4
109.06571	9.9
111.04530	1.4
111.08160	90.0
112.05309	9.9
113.06072	20.4
121.06563	6.5
122.03732	14.1
125.32816	1.1
125.51403	1.4
137.06116	9.6
140.08414	2.4
149.09732	1.5
151.11287	13.8
169.12335	24.3
170.05844	1.2
177.09229	17.8
195.10269	100.0
196.10519	1.7
213.11349	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	213.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.7
59.01376	0.9
63.93879	0.7
67.01878	0.8
69.03465	1.8
72.72386	0.8
83.05025	30.6
85.06570	1.2
86.75966	1.0
87.33619	0.8
95.05019	4.5
97.06575	8.8
107.05031	8.4
111.08163	4.2
123.08155	4.5
124.11922	0.9
137.09723	1.1
139.11293	50.0
149.09767	1.6
151.11292	100.0
153.25305	0.8
165.09245	1.0
167.10738	3.5
169.12323	1.3
176.98376	2.9
183.10237	15.1
194.99312	1.5
195.10216	6.1
209.09772	0.9
213.03444	2.9
213.11345	4.3
213.14211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1135
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
51.07286	1.4
57.03451	100.0
58.25233	1.6
59.01368	2.5
64.72852	1.6
69.03455	9.9
69.87798	1.7
71.05030	9.7
71.85193	1.8
81.07098	4.6
81.21819	1.8
83.05048	17.2
89.37276	1.9
95.05041	2.5
96.68858	1.9
97.06586	72.7
99.08144	29.6
103.26653	2.1
107.05010	18.9
109.06610	2.3
113.06075	10.9
123.04524	3.5
125.06080	22.7
125.09719	27.1
135.08107	3.6
136.05281	3.5
137.06094	3.5
139.11301	3.8
145.96820	2.2
151.07692	3.0
151.11290	3.7
169.12329	35.8
177.09241	3.6
195.10269	87.6
213.11331	39.6
223.59637	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.19736	0.3
61.98536	0.4
62.07781	0.4
77.10883	0.4
80.73733	0.4
86.78267	0.4
87.61959	0.4
92.10818	0.8
116.22377	0.5
140.57042	0.4
153.63641	0.4
155.54726	0.5
177.12860	0.6
183.13902	34.5
195.12578	0.6
195.13911	24.6
213.14996	100.0
214.15411	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.76752	0.8
53.79967	1.1
61.98837	2.2
63.56305	1.1
63.92035	0.9
64.74633	0.9
86.63721	0.9
87.00927	1.1
90.10679	1.1
123.72192	1.1
168.91032	1.1
169.15970	1.4
195.13808	1.8
197.99104	1.4
213.14986	100.0
214.15448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	9.0
61.99812	2.0
71.01391	33.8
72.04561	31.2
81.02203	4.4
82.02992	99.0
88.04044	76.5
88.04566	2.8
96.04567	13.3
98.02473	100.0
100.04052	24.4
100.07722	4.1
110.02491	3.0
110.06118	2.7
111.00926	8.5
112.04060	12.4
126.01978	37.8
129.01958	2.4
140.03564	5.1
140.58994	2.1
143.99025	1.9
154.05072	18.8
156.03029	38.4
160.85358	2.1
170.04594	25.7
172.06244	2.6
184.02513	9.4
198.04099	51.3
216.05128	35.8
216.08800	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	211.0612
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.06380	0.9
54.50390	0.9
59.01416	1.3
65.18532	1.0
74.47099	1.0
78.07478	1.1
95.01392	1.9
95.12215	1.1
107.05029	2.5
108.02184	8.0
109.02949	19.5
120.02174	16.2
123.04501	7.5
129.05589	4.7
136.01643	4.2
138.03249	4.1
148.01671	100.0
153.05573	98.6
154.05884	1.3
163.04008	80.5
165.01910	1.8
166.02698	9.4
171.05968	1.1
171.91170	1.2
179.78401	1.1
181.05070	80.7
196.03818	5.2
211.06136	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	MKN-003B
Peak:m/z	Relative Intensity
56.48981	0.5
58.31356	0.4
59.55371	0.5
64.34854	0.6
69.03431	0.5
73.46542	0.5
81.80309	0.5
82.17952	0.8
84.51658	0.4
86.79650	0.5
95.90131	0.6
165.12891	0.6
167.14490	1.1
183.13910	16.0
193.12399	4.1
211.13426	100.0
212.13667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02641	0.2
51.18069	0.2
56.16388	0.2
59.01390	1.6
63.44181	0.2
66.93856	0.2
71.81860	0.3
72.37204	0.3
77.76476	0.2
78.95921	0.5
87.00877	2.7
93.03452	6.0
96.76021	0.3
98.02499	1.3
102.51390	0.3
108.02191	0.6
114.05608	1.8
119.47046	0.3
121.02965	6.1
122.03738	19.5
127.00172	0.6
129.94067	0.3
134.03748	0.4
136.01678	1.3
146.66502	0.3
149.02455	6.0
150.03235	100.0
151.03596	1.3
165.05576	69.0
166.05936	1.2
169.09799	1.3
180.04332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33958	0.4
54.37977	0.4
59.01363	0.6
59.09836	0.4
61.98838	0.6
65.22958	0.4
70.92898	0.4
79.13133	0.5
80.63404	0.4
83.88165	0.4
84.30564	0.4
92.10793	0.8
97.06606	0.6
113.63004	0.4
151.11290	11.7
169.12340	100.0
170.12730	2.7
176.98399	0.5
195.10188	0.7
202.42908	0.4
213.09430	0.8
213.11346	13.2
213.14575	0.6
227.08107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0513
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.35975	0.1
50.74017	0.1
54.82309	0.2
55.01883	1.2
57.03468	1.3
57.60707	0.2
59.01388	2.9
63.70245	0.2
66.47884	0.1
66.84973	0.1
69.03467	0.9
71.01382	6.0
72.99309	7.7
73.02943	4.2
75.00871	1.9
81.03429	1.2
83.01377	0.2
83.05033	0.3
85.02954	11.7
87.00876	5.6
87.01374	0.3
89.02444	0.2
97.02921	1.3
99.00879	11.6
99.04517	0.7
101.02441	7.8
108.02200	0.2
109.02958	2.5
113.02431	0.2
117.01940	3.7
123.33437	0.2
125.02435	2.5
127.04021	1.8
129.01939	16.3
135.03003	3.2
143.03522	1.2
147.03041	1.8
148.19287	0.2
161.04576	0.4
184.88573	0.2
189.04034	2.0
207.05121	100.0
208.05455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35975	0.1
50.74017	0.1
54.82309	0.2
55.01883	1.2
57.03468	1.3
57.60707	0.2
59.01388	2.9
63.70245	0.2
66.47884	0.1
66.84973	0.1
69.03467	0.9
71.01382	6.0
72.99309	7.7
73.02943	4.2
75.00871	1.9
81.03429	1.2
83.01377	0.2
83.05033	0.3
85.02954	11.7
87.00876	5.6
87.01374	0.3
89.02444	0.2
97.02921	1.3
99.00879	11.6
99.04517	0.7
101.02441	7.8
108.02200	0.2
109.02958	2.5
113.02431	0.2
117.01940	3.7
123.33437	0.2
125.02435	2.5
127.04021	1.8
129.01939	16.3
135.03003	3.2
143.03522	1.2
147.03041	1.8
148.19287	0.2
161.04576	0.4
184.88573	0.2
189.04034	2.0
207.05121	100.0
208.05455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1028
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
55.38651	0.9
57.03465	1.2
59.01384	58.9
60.92374	0.9
62.83810	0.8
71.01389	5.4
80.02673	8.6
81.03458	12.1
83.04597	1.4
83.05028	11.0
89.02451	1.4
93.03481	1.5
97.02943	1.2
99.00864	7.2
101.02473	1.8
106.04262	2.3
107.05037	5.9
109.06593	100.0
121.06611	5.7
122.06116	2.5
129.01930	4.7
133.06615	2.1
135.08133	17.5
135.91379	1.0
142.02750	1.4
147.02997	10.0
161.09712	5.7
163.10014	2.0
163.11288	41.6
165.09323	1.1
178.05186	1.9
183.86226	1.1
189.09142	2.1
207.10289	37.6
207.16628	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	209.1184
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
59.01384	4.7
61.98835	7.0
71.01392	24.3
91.17548	4.2
95.05072	4.8
97.06571	5.2
115.04211	3.9
120.02208	4.7
121.02951	95.4
125.09706	5.9
141.75165	5.1
151.11301	38.9
163.11308	19.6
165.12781	17.7
173.09731	4.4
179.10776	7.6
181.12346	100.0
187.84230	4.4
191.10764	27.8
209.11826	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25370	0.9
53.49566	1.1
59.01377	12.0
61.98828	13.0
65.00346	1.1
69.64757	1.1
71.01397	2.6
89.02434	1.3
92.65700	1.5
92.99832	4.9
96.95988	1.2
121.02951	100.0
124.04088	1.6
136.01669	1.9
146.25148	1.2
180.45235	1.2
181.12347	2.1
181.73335	1.4
186.55009	1.4
191.10689	1.7
193.45261	1.2
205.28586	1.3
209.04492	10.1
209.11852	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	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
54.12348	0.6
57.20488	0.6
59.01374	0.8
61.98856	1.4
70.95545	0.7
73.47065	0.6
80.12179	0.6
90.19172	0.6
90.37896	0.6
90.61505	0.8
101.39635	0.7
121.02962	17.0
133.05661	0.7
136.54424	0.8
175.94818	0.7
209.04599	3.1
209.11856	100.0
210.12111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47451	0.4
56.54084	0.5
59.01384	2.4
61.98845	0.7
78.95892	1.1
105.29784	0.5
108.04556	0.6
112.32641	0.5
118.06636	0.8
120.08198	1.0
121.05329	38.6
122.02522	0.8
125.36237	0.6
134.03745	1.3
134.06122	2.6
135.04448	0.7
136.04079	0.8
136.07675	56.0
137.04807	1.3
146.06084	0.7
148.07703	8.1
150.05602	0.8
151.06238	0.7
153.04341	7.8
162.05623	10.2
166.08736	100.0
166.91063	1.3
167.09093	0.8
192.06697	6.6
193.05058	0.7
210.07732	30.8
215.38074	0.5
221.91649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
53.38697	0.6
60.33104	0.6
89.66064	0.7
92.64429	0.6
94.31264	0.6
101.30027	0.6
152.13911	0.7
159.43311	0.6
189.12924	1.4
205.15985	100.0
206.16322	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	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	46.3
70.02990	10.5
72.00920	8.1
72.03730	0.9
91.05541	20.2
147.04535	43.6
159.11537	1.1
164.07182	100.0
206.08264	32.7
206.16447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02985	43.4
67.59885	0.9
70.02982	9.8
72.00941	5.4
91.05535	21.4
92.10158	1.7
147.04530	41.0
147.05632	1.9
164.07187	100.0
165.07472	1.3
206.08238	34.3
229.96017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28725	1.3
55.01891	8.7
56.79293	1.7
57.03464	6.8
58.00612	1.3
59.01385	100.0
63.87011	1.6
67.01904	2.1
68.99840	6.5
71.01380	47.9
71.05028	11.4
71.43898	1.7
72.99300	25.8
72.99619	1.5
73.02937	11.5
75.00867	15.7
81.03469	2.8
83.01387	11.5
84.02171	13.2
85.02937	16.5
87.00874	52.0
89.02480	8.3
91.64275	1.7
92.10127	1.6
96.99313	2.5
99.00873	25.8
99.04517	14.7
101.02459	15.4
103.00397	1.8
107.78941	1.8
111.00896	26.7
112.98822	54.4
115.00368	36.0
117.01936	12.9
124.98830	8.2
125.02457	53.0
127.00404	3.1
129.01971	7.0
142.99863	10.0
145.01436	14.4
154.99918	2.9
173.00945	3.3
175.02464	2.3
187.02510	2.8
205.03517	15.6
205.16010	9.6
219.14059	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	203.0828
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
56.59200	0.7
59.01385	31.2
61.98850	0.7
62.83849	0.7
72.00910	17.9
74.02470	30.3
79.57652	0.8
82.79868	0.8
92.10868	0.9
96.64841	1.0
100.92603	4.0
103.82658	0.7
103.92025	8.8
104.97751	1.8
108.04599	0.8
108.36962	0.7
112.39173	0.7
116.05060	100.0
117.05410	1.3
130.06635	1.5
130.08742	2.0
130.94363	4.8
131.09134	6.5
142.06621	28.8
142.93723	1.6
143.86525	3.2
143.93494	0.8
148.95424	4.6
159.09273	13.7
160.04013	1.9
160.89270	5.2
161.01180	1.1
161.08160	1.7
161.89400	1.6
173.04315	0.8
174.99139	3.2
186.05592	3.5
195.18224	0.9
202.94243	1.7
202.98790	1.0
203.02115	1.0
203.08282	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0303
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
50.45678	0.2
54.82230	0.3
59.01385	0.4
60.77795	0.2
65.99838	0.2
71.01368	0.3
101.97858	0.2
102.87838	0.3
110.86594	0.2
115.00359	0.4
118.02988	4.9
131.03758	3.0
132.04541	10.0
153.27380	0.2
159.02271	0.9
159.03249	38.4
160.04033	100.0
161.04434	1.9
162.89278	0.4
186.87106	0.2
204.03006	4.4
205.03403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
57.03455	3.6
58.00614	0.8
59.01392	3.2
67.01894	9.2
71.01380	4.6
72.98962	0.8
72.99305	5.7
73.02942	6.0
75.00868	0.8
80.11347	0.5
81.03455	1.1
83.01380	0.8
85.02953	2.8
87.00869	42.0
99.00877	2.3
99.04524	3.7
101.02430	0.7
101.47531	0.6
111.00879	100.0
112.98801	0.9
115.00378	3.9
125.02427	4.0
142.99863	0.7
143.03531	7.2
154.99857	0.8
173.00937	2.4
173.22444	0.6
180.86099	0.6
187.55423	0.6
205.03539	4.5
205.15907	0.7
217.62027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85738	0.8
57.63992	0.8
59.01383	13.5
63.81918	0.9
65.78626	0.9
69.03452	2.5
70.02995	1.0
71.01383	2.5
73.04824	1.0
74.02470	77.4
81.02221	4.6
82.02985	10.9
83.01382	1.0
83.20571	1.1
84.00912	7.6
84.04575	1.4
86.06110	7.5
87.92554	1.3
92.10102	2.1
96.04549	26.6
97.02943	4.7
98.02481	10.6
99.00885	1.4
103.92032	51.9
104.92829	1.3
104.96442	0.9
104.97738	7.8
106.94402	7.0
110.02492	11.7
112.04044	20.5
123.94672	1.2
129.01971	1.4
130.05093	45.7
130.94360	27.5
134.36145	1.0
140.01791	1.2
140.03539	22.1
147.97783	1.5
148.95430	31.6
148.96527	1.7
156.03036	100.0
158.04599	2.5
159.89395	9.9
160.89270	7.5
184.02518	27.5
202.03586	10.2
202.92754	5.1
202.94254	4.5
203.02049	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	202.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12232	0.1
59.01389	4.5
60.27896	0.2
99.92589	3.2
100.92558	0.3
103.92030	0.3
105.02688	0.2
130.08737	100.0
130.94365	0.4
131.09084	1.7
135.20213	0.2
141.93628	2.2
148.95390	0.3
158.08223	1.5
160.89296	0.4
164.83603	0.9
202.07307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	23.2
54.76932	1.6
55.01891	10.9
57.03462	17.4
59.01388	97.7
61.98838	2.9
68.99819	9.0
69.03450	2.9
71.01385	92.4
71.01779	3.1
72.99309	16.9
73.02948	8.7
75.00874	42.5
80.99827	18.0
83.01392	13.6
85.02965	14.7
89.02435	3.6
92.10178	2.1
95.05045	3.5
96.99316	3.6
97.06594	8.8
98.00086	41.6
99.00880	67.0
99.92561	2.5
100.92600	8.0
101.02453	21.1
102.88880	1.9
103.92029	25.8
104.97717	14.8
112.98815	100.0
113.02452	80.2
115.07656	9.2
117.01907	16.5
125.02431	13.6
126.10888	1.8
129.01950	2.4
130.08736	27.6
130.94417	16.9
130.95216	2.2
131.03497	65.0
131.08328	2.5
131.09097	33.1
140.98315	50.4
141.05588	29.7
142.93672	4.4
145.01399	24.0
148.95396	23.1
158.99391	15.5
159.03189	10.8
160.04100	15.9
160.89296	11.2
173.00906	30.0
174.99214	13.6
185.04568	28.2
187.69073	2.0
202.90439	2.5
202.94225	4.2
202.98788	2.4
203.02003	11.4
203.05617	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	199.134
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.51083	0.3
52.94564	0.4
54.26385	0.3
55.01865	0.4
57.03437	0.3
58.00559	0.3
71.05016	0.5
83.70639	0.3
92.43227	0.3
99.08158	0.5
116.96134	0.3
125.09718	2.2
127.11280	4.3
153.12881	0.8
155.14438	0.4
163.11292	0.4
181.12366	0.8
186.73480	0.4
190.50957	0.3
197.11842	1.3
199.13411	100.0
200.13780	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	200.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.9
58.02978	9.5
58.03234	0.5
59.01383	10.9
59.01659	0.8
59.38107	0.4
61.00392	0.5
61.98834	0.5
62.43893	0.5
63.72540	0.4
66.03497	2.3
67.01918	0.6
69.03472	0.5
69.37119	0.6
70.02976	11.2
70.03328	0.7
71.05032	0.8
74.81252	0.5
77.55437	0.5
78.03484	100.0
78.61903	0.4
79.01907	1.3
82.02992	2.3
84.04565	3.3
86.51246	0.5
90.06844	0.6
94.02982	2.5
96.04546	21.8
97.02956	1.1
98.02479	0.6
98.06105	4.1
99.00873	17.3
110.97041	1.0
112.04052	8.8
114.05606	4.3
126.05628	4.9
138.05623	4.5
140.03540	20.5
156.06696	0.9
192.43391	0.6
193.00206	0.8
200.05664	2.6
201.02631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.65133	0.3
93.70405	0.4
119.41750	0.4
125.73080	0.4
126.41490	0.5
157.03540	4.7
159.01497	2.3
193.56564	0.4
201.02565	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	201.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	83.2
60.01727	1.4
66.96648	0.7
77.83362	0.6
86.17719	0.6
88.87675	0.6
99.92580	100.0
100.92611	4.2
103.92005	2.6
115.92087	1.5
116.92856	14.6
127.87018	0.8
130.94370	1.4
131.03552	0.8
141.85686	1.2
141.86819	41.7
141.93643	78.9
142.93686	1.0
148.95448	1.3
159.85968	0.7
159.87891	23.8
159.89398	5.8
160.89275	3.2
164.83626	23.2
166.83310	6.8
201.80272	9.3
201.90529	0.7
201.95789	3.9
202.02725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.9
57.81255	0.7
59.01385	3.5
63.68116	0.7
69.03456	6.1
70.02998	0.9
71.01385	3.3
71.90722	0.8
74.02470	79.4
75.79380	0.8
81.02213	3.2
82.02981	11.8
83.01374	1.0
84.00921	6.8
84.04557	1.0
86.06123	9.8
95.51743	0.8
96.04546	26.0
97.02969	5.8
98.02502	5.3
103.92030	9.4
104.97742	1.9
110.02496	9.3
112.04059	25.8
114.05685	1.0
116.04082	0.8
127.00401	0.7
130.05104	27.9
130.94379	6.0
140.01819	1.9
140.03549	18.1
141.01923	1.2
147.97800	0.9
148.95454	3.2
156.03040	100.0
158.04587	1.8
159.89391	3.3
160.89322	1.5
170.12553	0.8
172.82361	0.8
184.02518	28.6
202.03612	8.7
203.02007	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32703	0.7
53.91127	0.7
59.01395	0.7
67.98376	0.7
89.29774	0.8
95.69757	0.8
112.01713	1.4
121.02957	1.0
126.90493	0.9
137.69490	0.8
151.11302	0.9
152.05583	0.8
153.09320	1.0
153.12836	4.0
162.83919	1.0
169.12378	15.1
182.05844	1.8
184.27731	0.8
197.11855	100.0
198.12242	1.5
218.59346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
58.24524	0.4
59.01389	0.5
60.38454	0.4
68.10977	0.3
69.03458	1.7
73.43605	0.4
82.38126	0.4
83.05042	0.8
94.55964	0.4
116.39036	0.4
131.56003	0.4
137.37656	0.5
141.09216	0.4
143.34207	0.5
151.11301	0.8
153.09227	0.8
153.12851	3.4
169.12343	18.3
170.12756	0.6
179.10841	2.9
197.11845	100.0
198.12218	4.1
218.53172	0.4
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
53.69395	1.6
54.82699	1.8
65.00333	2.0
72.00191	1.7
83.05029	2.2
89.95583	1.9
126.90488	2.5
132.38065	1.7
135.00931	1.9
153.12805	2.6
162.83899	8.0
169.12332	15.8
178.99875	23.6
182.05824	7.7
197.00903	3.9
197.09956	5.7
197.11835	100.0
197.80782	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	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.15329	0.2
53.12247	0.2
53.44549	0.2
53.97066	0.2
57.03442	0.2
58.29247	0.2
59.01381	0.3
69.52588	0.2
81.32571	0.2
92.10159	0.6
93.07269	0.2
127.80009	0.2
134.39249	0.2
137.09741	5.3
155.10793	100.0
156.11137	2.4
181.08717	0.4
199.09766	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	199.0976
Annotation	Stagonolide C
Peak:m/z	Relative Intensity
52.73388	0.7
53.76100	0.7
55.01883	1.4
59.01381	59.1
62.27225	0.7
68.07350	0.7
71.05020	4.8
72.79446	0.7
80.02668	5.8
81.03455	7.1
83.01389	3.3
83.05020	61.8
84.02161	16.5
84.02634	0.8
95.05020	1.9
96.64083	0.8
96.86661	0.7
97.06576	3.5
107.04971	1.4
109.06575	15.0
115.38503	1.0
121.06553	0.9
127.11265	1.2
133.06575	1.8
135.08162	34.0
137.09685	9.4
155.10823	0.8
163.07628	5.4
181.08708	100.0
182.09056	1.4
199.17039	1.5
201.87303	0.9
211.38538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.12012	1.6
61.98837	4.3
64.34650	1.8
64.42545	2.0
87.15216	1.9
96.84457	1.9
109.03013	2.2
114.39025	2.0
116.92881	3.6
126.90498	7.4
128.04590	1.6
139.03925	1.7
146.68185	2.0
153.12794	3.8
160.84224	25.4
162.83922	62.5
169.12358	21.8
172.40361	1.9
178.99968	2.1
182.05827	3.6
184.67780	1.9
196.86295	2.5
197.11836	100.0
197.80800	35.3
198.12149	2.3
217.58890	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.05803	0.5
71.05027	0.9
76.41995	0.5
88.73507	0.5
92.10764	0.8
97.06580	15.0
99.08142	4.9
105.47260	0.6
122.03748	2.7
125.09706	0.6
126.90486	0.6
137.09698	2.2
149.28331	0.6
151.11313	1.2
153.12862	100.0
154.13194	3.8
175.84151	0.5
179.10785	23.3
180.11096	0.9
197.11823	7.8
217.39635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1026
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
54.67451	0.6
59.01373	0.7
69.03448	0.6
69.60023	0.6
83.05017	0.9
87.61880	0.6
92.10167	1.3
93.03464	1.6
94.94363	0.6
95.05025	0.8
97.08039	0.6
112.87681	0.6
116.53288	0.7
123.08212	1.0
129.87875	0.7
131.08685	1.4
133.10219	5.8
149.09758	6.3
150.03246	1.2
151.11276	11.5
167.10779	7.9
177.09218	5.4
195.10280	100.0
196.10690	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.29117	0.6
57.82930	0.6
73.48132	0.6
76.55060	0.8
78.06014	0.7
88.89429	0.7
109.77160	0.7
153.89140	0.7
160.84218	27.9
187.99919	0.8
194.05923	0.7
195.13914	100.0
195.81108	8.7
196.14294	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	197.082
Annotation	Curvulide A
Peak:m/z	Relative Intensity
53.98129	0.6
54.82678	0.8
57.16231	0.6
70.89055	0.7
77.46969	0.7
78.31439	0.7
87.53969	0.7
96.96018	1.4
106.57089	0.8
109.63357	0.8
115.04019	3.8
116.92857	5.7
121.02933	3.0
123.04456	1.0
133.02925	6.2
134.03741	35.5
136.01636	6.0
137.02444	44.9
150.03345	1.0
151.04018	6.9
152.04866	0.8
160.84236	4.8
162.83910	6.9
164.04726	1.1
166.02631	1.2
179.07207	1.0
182.05858	100.0
183.06226	1.2
197.08218	36.4
197.10005	1.2
197.80824	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	197.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20736	0.6
84.09242	0.7
121.02943	11.4
122.03735	55.0
123.04050	0.9
124.01641	1.3
136.01636	6.5
137.02458	5.5
137.06097	1.1
154.02708	4.4
160.84178	1.1
162.83911	3.8
182.05861	100.0
183.06157	1.2
197.08203	36.7
215.81509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.082
Annotation	Curvulide A
Peak:m/z	Relative Intensity
51.47213	0.4
71.18228	0.5
82.84933	0.5
116.92881	0.8
121.02963	13.4
122.03745	50.4
123.04044	1.4
124.01712	2.2
136.01665	6.6
137.02434	3.8
149.26733	0.7
154.02701	5.1
156.73021	0.8
162.83894	2.9
182.05864	100.0
183.06181	2.5
197.08214	39.1
197.80875	0.9
217.85291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0972
Annotation	4-Phenethylphenol
Peak:m/z	Relative Intensity
50.38428	0.8
53.10876	0.8
61.98835	1.2
62.66401	0.8
63.74824	0.8
66.01506	0.8
68.19565	0.9
78.25224	0.7
92.66261	0.8
119.04974	1.1
122.36050	0.8
126.90511	1.8
160.84218	4.1
162.83931	14.1
182.07367	85.4
183.07733	1.1
195.08186	1.6
196.86383	3.5
197.09732	100.0
197.80762	4.2
198.10043	2.0
210.73755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99581	0.2
80.02685	0.4
93.03439	2.3
95.01398	0.5
102.37709	0.3
106.04268	0.7
107.01395	1.3
108.02177	7.0
108.62064	0.3
109.02974	2.3
114.61623	0.3
116.87960	0.4
120.92041	0.4
121.02977	0.6
123.00900	4.0
123.04512	2.2
125.02441	1.9
134.03725	3.7
136.01668	5.3
137.02444	10.5
145.02960	0.6
146.57196	0.3
149.06099	0.6
150.03296	0.5
151.00412	1.3
151.04012	0.6
151.07703	0.4
152.04770	0.5
161.02502	0.5
162.03232	4.3
163.04025	4.8
165.01910	2.0
177.05605	1.9
180.04294	100.0
181.04620	1.5
189.72881	0.3
195.06645	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90099	1.3
58.00614	6.4
59.01382	10.4
60.59619	1.4
93.03451	2.8
96.96010	10.5
106.04230	3.1
107.05001	2.8
108.02176	6.4
109.02943	1.7
121.02940	61.2
122.03741	20.4
123.04507	2.1
135.04466	1.9
136.01669	3.2
137.02443	4.0
145.02943	7.5
150.03224	36.4
151.03989	2.3
151.07674	12.7
154.02742	2.0
160.84229	8.3
161.02443	9.0
162.03258	11.9
163.03989	1.9
165.05562	23.2
177.05585	2.9
180.04289	100.0
181.83575	1.8
192.37755	1.6
195.06619	37.1
196.70619	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	195.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23237	0.3
53.66096	0.3
56.43907	0.3
59.01381	0.6
66.21341	0.3
95.01338	0.4
96.96015	1.5
108.02152	0.5
117.94077	0.4
123.00872	2.2
124.01675	0.5
139.00372	0.8
140.01222	0.4
145.22916	0.4
150.03249	4.1
151.00418	1.9
152.04799	5.3
152.94522	0.3
160.84203	1.7
165.05634	1.3
179.03490	0.6
180.04286	100.0
181.04596	2.5
194.90477	0.4
195.06624	16.2
195.81119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23237	0.3
53.66096	0.3
56.43907	0.3
59.01381	0.6
66.21341	0.3
95.01338	0.4
96.96015	1.5
108.02152	0.5
117.94077	0.4
123.00872	2.2
124.01675	0.5
139.00372	0.8
140.01222	0.4
145.22916	0.4
150.03249	4.1
151.00418	1.9
152.04799	5.3
152.94522	0.3
160.84203	1.7
165.05634	1.3
179.03490	0.6
180.04286	100.0
181.04596	2.5
194.90477	0.4
195.06624	16.2
195.81119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0717
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
50.82454	10.5
59.01382	80.9
65.10327	14.1
69.03449	27.5
71.01382	61.7
73.02939	80.6
82.34099	14.7
83.01363	16.8
85.02959	89.1
87.00860	45.4
97.02953	26.5
99.00871	61.3
101.02438	65.1
102.12869	14.0
125.02471	56.4
159.36395	16.3
161.04555	100.0
178.02731	24.6
193.05211	17.3
193.07129	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41179	44.4
89.34267	50.7
92.10155	59.7
112.52412	50.4
135.45613	59.9
161.73393	54.5
182.32961	65.1
193.12357	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	194.0459
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
51.98580	0.1
56.72029	0.1
66.22412	0.1
66.59187	0.1
80.05065	0.6
96.95979	0.2
104.05062	0.3
106.06628	100.0
107.06956	1.5
137.06279	0.2
150.05617	22.8
151.05952	0.2
194.04623	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41600	0.4
59.01384	5.8
63.02400	0.7
63.53339	0.4
65.00331	2.4
71.01376	0.9
73.02940	0.6
75.00862	4.9
78.95898	1.2
85.78172	0.4
87.00867	0.6
89.81918	0.4
91.01893	12.2
93.03444	1.1
95.01357	1.0
96.96004	51.8
96.96999	2.2
103.92032	1.0
108.02175	100.0
109.02427	0.6
111.00896	1.2
121.02982	1.1
123.04518	92.5
124.01639	1.1
124.04873	1.0
129.01935	2.9
136.01668	23.4
150.03232	1.0
151.04066	2.0
152.91800	0.5
180.04280	2.5
194.92799	0.5
195.02965	1.9
195.05061	3.8
205.70155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	73.3
62.36414	1.6
63.34802	1.6
79.16462	1.8
80.96467	1.8
88.21238	1.8
96.96020	4.2
99.00668	3.4
106.06630	3.0
107.07004	10.6
108.04584	3.4
113.06093	100.0
133.66821	2.1
150.03209	18.0
158.34715	1.7
160.84271	3.0
165.05510	4.6
180.04337	14.3
182.46014	2.0
184.76259	1.8
195.06519	10.3
195.81204	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	195.0663
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
50.08195	1.1
51.74681	1.0
59.01392	12.3
59.08333	1.1
63.67710	1.2
64.51324	1.1
76.75887	1.2
83.42730	1.2
86.39990	1.1
91.00978	1.3
95.33088	1.3
119.05016	12.4
121.02952	39.6
122.03796	1.6
123.04499	1.9
134.03746	1.6
135.04526	30.5
136.05299	100.0
150.03212	16.8
151.03981	5.4
151.07642	2.8
162.03165	1.3
165.05542	5.7
177.05568	1.6
180.04245	12.9
195.06647	67.1
195.10278	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	195.0662
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
58.25708	0.4
108.02180	1.2
122.03721	11.6
122.08501	0.5
150.03233	100.0
151.03555	2.3
165.05566	41.5
165.32776	0.6
180.04283	15.0
195.06670	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	191.0564
Annotation	Quinic acid
Peak:m/z	Relative Intensity
51.72208	0.2
55.32946	0.2
55.92580	0.2
57.03458	0.8
59.01384	4.3
61.42862	0.2
67.01884	0.3
71.01377	1.5
73.02937	0.4
81.03478	1.2
83.05048	0.9
85.02951	30.4
85.26447	0.2
86.03273	0.3
87.00331	0.4
87.00871	9.9
93.03449	4.0
93.03912	0.2
95.01443	0.2
99.04521	1.0
105.99614	0.2
109.02959	2.9
111.04545	1.3
125.02444	0.3
127.04009	8.5
127.62137	0.2
137.02443	0.3
145.05115	0.7
155.03532	0.9
161.67003	0.2
171.02962	1.5
172.79001	0.2
173.04564	3.6
188.85400	0.2
188.97218	0.2
191.05635	100.0
192.05995	2.5
197.48810	0.2
206.96320	0.2
207.38284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72208	0.2
55.32946	0.2
55.92580	0.2
57.03458	0.8
59.01384	4.3
61.42862	0.2
67.01884	0.3
71.01377	1.5
73.02937	0.4
81.03478	1.2
83.05048	0.9
85.02951	30.4
85.26447	0.2
86.03273	0.3
87.00331	0.4
87.00871	9.9
93.03449	4.0
93.03912	0.2
95.01443	0.2
99.04521	1.0
105.99614	0.2
109.02959	2.9
111.04545	1.3
125.02444	0.3
127.04009	8.5
127.62137	0.2
137.02443	0.3
145.05115	0.7
155.03532	0.9
161.67003	0.2
171.02962	1.5
172.79001	0.2
173.04564	3.6
188.85400	0.2
188.97218	0.2
191.05635	100.0
192.05995	2.5
197.48810	0.2
206.96320	0.2
207.38284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.92328	0.3
58.03956	0.3
59.01383	2.0
70.92844	0.3
71.01385	1.7
71.71152	0.3
73.02962	0.6
83.01390	0.5
83.13462	0.3
85.02973	1.7
86.56541	0.3
87.00891	1.4
89.03956	3.1
95.01385	0.5
97.02942	0.9
97.45681	0.4
99.00886	2.1
101.02457	1.9
102.05985	0.4
102.26814	0.3
106.04283	0.8
108.29922	0.4
115.03954	0.4
117.03460	4.4
133.02946	2.5
134.03734	100.0
135.04048	2.8
137.02441	4.3
139.04022	1.4
141.01965	0.6
147.04524	2.2
148.06479	0.3
149.06090	4.1
159.12251	0.4
161.04550	2.4
178.02710	11.9
193.05058	7.7
193.07149	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	186.0774
Annotation	N-(3-(S)-Hydroxybutyryl)homoserine lactone
Peak:m/z	Relative Intensity
54.35074	1.2
59.01387	2.1
61.10118	1.0
67.01880	1.9
78.95911	6.6
84.04540	15.8
85.02958	1.2
85.03467	1.2
87.99912	1.1
96.96960	6.2
99.00894	1.7
99.04528	7.4
111.00894	2.6
113.74922	1.2
114.05609	7.9
114.09274	6.8
118.66997	1.2
124.04103	1.6
125.02446	11.0
127.00347	1.5
140.07169	1.7
142.05121	9.3
142.08733	10.2
143.03484	2.2
186.04152	2.1
186.07729	100.0
187.02489	2.5
187.08078	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	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33485	0.7
53.82464	0.8
56.91644	0.7
59.01387	82.9
78.84499	0.8
80.77242	0.8
84.21737	0.9
100.55713	0.9
115.02515	5.0
117.00430	9.6
117.34745	1.0
143.01949	1.3
159.01498	100.0
160.01700	3.9
187.01004	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	187.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.7
59.01385	20.2
71.01380	100.0
71.41125	0.4
72.01704	0.4
72.99295	1.2
86.26154	0.3
87.00872	2.5
89.02442	7.2
95.05032	0.4
97.06585	71.7
98.06948	0.4
99.00876	3.7
111.08121	0.4
119.45359	0.3
139.07700	0.4
141.86885	0.7
159.87953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03453	4.0
59.01406	0.4
61.98840	0.3
65.69572	0.2
66.17455	0.3
66.75003	0.2
67.43545	0.3
68.26902	0.3
69.03453	0.5
80.02692	0.4
83.05032	0.4
86.51900	0.4
92.65190	0.4
95.05014	0.4
97.06584	15.6
123.08160	8.2
125.09718	100.0
126.10030	2.2
141.86839	0.7
143.10770	2.6
159.87926	0.4
169.08742	2.3
181.86557	0.3
187.09764	43.9
188.10143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Pisonin F
Peak:m/z	Relative Intensity
55.14793	0.2
56.17562	0.2
57.03430	0.2
59.01385	3.2
64.05727	0.2
67.07173	0.2
72.90779	0.2
77.97572	0.2
85.02945	2.5
87.00854	2.3
111.00874	4.7
118.99287	0.5
119.05019	2.0
121.02950	100.0
122.03280	2.4
129.01898	0.3
147.04536	7.0
163.04041	0.2
191.01950	0.6
191.03510	6.8
191.05603	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	183.0663
Annotation	3-Methoxy-4-hydroxyphenylethylene glycol
Peak:m/z	Relative Intensity
62.81670	0.4
67.01891	0.4
71.01396	0.5
86.08676	0.4
93.03453	2.9
96.88580	0.4
97.02989	0.4
109.46572	0.4
111.00932	0.8
121.02951	65.9
123.04524	7.2
127.26517	0.4
150.03232	100.0
151.03590	1.6
165.05576	9.9
182.99413	0.4
183.10297	0.4
189.95093	0.4
203.43774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66776	4.5
59.01370	8.7
61.98857	4.2
63.72357	4.0
65.03967	21.2
67.01900	4.8
70.24940	4.5
91.05528	100.0
103.05540	58.7
106.04242	31.1
107.05086	6.6
109.06585	55.0
119.05001	36.6
121.06557	31.7
123.04527	7.3
124.01670	34.7
135.04552	5.9
152.98315	6.6
168.00655	29.6
183.03014	10.3
184.06468	4.8
185.52014	4.7
193.61873	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	183.1026
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
69.03467	2.2
69.92844	1.0
71.57970	0.9
73.31875	1.2
83.04980	1.2
120.05041	1.2
121.19296	1.3
123.14908	1.4
134.78194	1.2
137.09750	1.8
139.07722	2.0
139.11299	12.9
141.42711	1.3
155.10820	21.1
164.56567	1.2
165.09279	2.7
183.10265	100.0
184.10640	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
62.23039	1.0
183.13896	100.0
184.14224	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	184.0616
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
58.46033	2.4
59.01387	53.0
69.03455	4.8
71.01387	6.1
78.95900	50.6
79.07444	2.8
84.04561	7.2
94.03011	4.5
96.96954	71.1
97.01669	3.4
101.48354	3.2
112.04051	100.0
122.06128	5.5
123.36779	2.8
124.04037	68.8
125.87315	4.6
140.07159	33.4
140.89658	22.4
149.04900	3.0
166.50989	2.8
184.06163	60.2
184.98654	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	184.9856
Annotation	D-Glycerate 3-phosphate
Peak:m/z	Relative Intensity
52.47123	0.4
78.95900	92.8
83.94389	0.5
96.13394	0.4
96.96954	100.0
108.41122	0.4
118.97945	0.4
166.97542	1.9
184.98534	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	184.9857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24269	0.3
51.86482	0.3
54.82664	0.4
57.59739	0.5
78.95900	95.0
87.00821	0.5
96.96955	100.0
100.12850	0.5
100.75218	0.4
166.97505	1.0
184.98564	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	185.1182
Annotation	[1S-(endo,endo)]-1-(Hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
50.19343	0.6
59.01390	3.9
78.95927	0.9
117.10179	0.7
125.51087	1.1
129.09229	1.2
137.09735	0.9
149.09665	1.7
155.10780	46.6
167.09491	1.5
167.10779	34.1
185.11838	100.0
186.12148	3.8
196.76295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.056
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
57.52598	0.4
58.00354	0.4
58.95567	0.4
60.86092	0.4
62.29784	0.4
76.57685	0.5
89.07505	0.4
91.35311	0.4
109.42677	0.4
111.32544	0.5
114.63480	0.4
116.05067	2.0
126.24448	0.4
142.06630	100.0
143.06955	2.8
186.05634	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	182.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.2
61.96724	5.6
61.98839	7.4
68.04110	6.1
71.01395	9.0
72.55954	6.0
90.23993	6.2
91.45485	6.5
93.03423	12.8
96.96011	69.3
110.03292	13.3
113.03845	6.3
121.02968	100.0
122.03813	56.4
123.04506	68.1
124.04863	49.1
128.77151	7.6
132.44597	7.0
136.01611	10.7
136.04900	9.4
137.02481	30.6
146.03368	10.9
149.01385	6.7
152.04376	33.2
154.02701	25.9
164.04448	13.8
182.05658	58.1
182.07550	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	181.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26665	0.4
57.20704	0.4
57.74593	0.5
59.01382	6.4
65.16125	0.5
71.01373	4.9
73.02955	0.7
73.20448	0.5
77.03970	0.7
83.01395	0.7
85.02956	0.6
89.02419	3.6
92.10269	0.6
93.03456	5.3
95.05016	9.6
96.96001	1.9
99.22124	0.5
99.78898	0.4
101.02425	3.4
102.47152	0.5
105.03400	1.6
107.05035	0.6
113.02486	0.6
116.64534	0.4
121.02944	3.7
123.04508	100.0
124.04815	1.0
127.73459	0.5
128.15219	0.5
133.02943	50.6
134.03246	0.5
134.15953	0.5
135.04521	0.5
149.02454	1.0
151.04004	40.1
181.05055	7.3
181.07112	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	182.046
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
58.13498	0.5
59.01400	0.6
65.89157	0.6
70.95037	0.5
71.34483	0.5
79.95728	2.1
80.08033	0.6
80.61304	0.6
92.05070	3.6
94.02973	1.0
108.04557	68.9
109.02978	0.7
109.04899	1.2
110.06176	0.9
111.43172	0.5
120.04546	6.7
122.02485	1.2
135.04561	2.6
136.04045	2.5
138.05609	100.0
139.05959	2.7
139.41437	0.7
164.98578	0.7
182.04591	26.2
189.53571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.3
71.01370	7.5
73.02933	1.0
83.01392	0.6
85.02934	0.7
85.87521	0.6
89.02449	4.7
92.10773	0.7
93.03452	5.8
95.01379	0.7
95.05009	10.2
96.95999	2.5
98.95605	1.1
101.02427	4.4
105.03429	2.3
107.04971	0.6
109.02932	0.8
112.61152	0.6
121.02946	2.6
123.04507	100.0
124.04801	1.1
133.02940	56.0
137.02513	0.6
149.02484	0.9
151.04005	44.2
163.04173	0.9
179.72878	0.7
180.86063	0.6
181.01430	1.0
181.05072	10.4
181.07159	6.9
195.54655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	2-(trimethylazaniumyl)ethyl phosphate
Peak:m/z	Relative Intensity
54.50359	0.3
55.01888	0.3
59.01380	5.3
66.26028	0.3
71.01382	8.0
73.02964	1.6
82.64806	0.3
83.01360	0.4
85.02945	0.7
89.02437	5.0
93.03445	5.0
96.96031	0.8
97.02955	0.4
99.81245	0.4
101.02441	4.3
103.53448	0.4
107.01399	0.5
108.02146	3.4
109.02958	1.4
110.10387	0.3
113.02449	0.7
119.03531	0.8
121.02961	2.2
122.03741	1.5
123.00884	2.4
124.01662	0.4
136.01671	1.7
137.02429	3.3
137.06082	2.1
138.03227	0.6
138.05577	0.7
138.92122	0.3
148.01680	2.6
149.02461	10.1
151.00404	0.5
151.04059	0.4
153.05627	0.7
162.95773	0.3
166.02719	100.0
167.03088	2.4
181.01537	0.5
181.05072	22.1
181.07172	8.2
182.05359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1077
Annotation	5-(1-Methoxy-1-methylethyl)-2-methyl-phenol
Peak:m/z	Relative Intensity
51.40009	1.9
55.01890	3.8
57.03457	3.9
59.01384	56.3
59.93972	2.0
63.75306	1.9
69.03464	4.9
71.01379	41.6
85.02946	2.2
89.02435	21.1
96.96006	5.2
97.02955	9.3
101.02440	3.4
108.02116	3.4
113.02489	2.8
121.02931	4.5
133.06606	10.1
135.08086	7.2
149.09735	47.7
151.11259	17.9
161.09735	11.6
164.04840	8.3
164.08469	25.3
179.10779	100.0
180.11104	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	179.1078
Annotation	5-(1-Methoxy-1-methylethyl)-2-methyl-phenol
Peak:m/z	Relative Intensity
55.01894	3.7
57.03461	2.4
58.00619	2.0
59.01389	100.0
68.93227	1.4
69.03470	7.1
71.01389	69.6
71.01777	2.5
72.99319	2.4
83.01391	2.3
85.02962	7.1
87.00924	2.7
89.02451	35.6
96.96002	12.0
97.02960	3.8
101.02452	7.6
107.05082	1.7
108.02153	12.6
113.02448	2.9
119.03432	1.6
119.08662	1.6
121.02940	12.0
123.04539	1.9
123.08176	2.4
133.06584	7.4
135.04578	2.7
135.08246	3.1
136.05299	10.5
142.04456	1.8
149.02380	2.9
149.09734	31.4
151.11272	11.3
161.09718	12.6
163.07570	1.7
164.04823	20.0
164.08438	16.9
165.47134	1.7
179.10783	76.3
180.11041	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	179.0561
Annotation	alpha-D-Glucose
Peak:m/z	Relative Intensity
54.29537	0.3
55.01886	1.4
56.79813	0.3
57.03453	1.6
58.00602	4.0
58.64038	0.3
59.01385	100.0
60.01733	1.3
62.80968	0.3
67.15258	0.3
71.01381	58.3
72.84745	0.3
72.99310	4.2
73.02927	2.6
75.00866	6.5
78.95885	0.5
81.03439	0.5
83.01389	2.2
85.02959	9.6
87.00877	6.6
87.01382	0.5
89.02442	30.0
90.02781	0.4
95.01379	2.7
99.00875	2.2
101.02445	7.4
105.01974	0.4
110.43111	0.3
113.02453	6.7
117.01940	0.6
119.03520	3.3
125.02406	0.7
131.03534	1.3
143.03505	0.7
145.10925	0.3
154.85204	0.3
161.04561	5.8
179.05612	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	179.056
Annotation	alpha-D-Glucose
Peak:m/z	Relative Intensity
54.91558	0.7
55.01890	0.8
57.03466	0.9
58.00610	4.4
59.01383	100.0
59.41733	0.7
63.37384	0.6
71.01380	69.5
72.99326	3.0
73.02967	1.2
75.00858	5.2
77.65443	0.6
83.01375	0.9
85.02948	6.4
87.00893	4.3
89.02438	29.7
95.01397	1.5
99.00915	1.2
101.02448	8.1
113.02440	7.5
119.03510	3.3
123.83555	0.7
125.02523	0.8
161.04564	2.8
179.05626	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	177.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	13.8
57.01587	1.1
57.03455	7.5
59.01384	100.0
59.37988	1.1
62.76692	1.0
62.90729	1.3
63.57088	0.9
71.01381	7.1
71.05028	1.5
72.99298	16.8
73.02937	12.6
75.00874	2.8
75.02802	1.1
76.22542	1.2
78.95876	1.2
79.66169	1.3
80.47655	1.3
83.01391	18.9
85.02959	6.8
87.00879	6.5
87.04521	1.4
94.20825	1.5
97.02936	10.6
99.00892	10.9
101.02435	7.6
102.14069	1.2
104.03568	4.4
105.03864	4.9
106.71474	1.3
113.02433	1.8
115.03985	9.6
129.01971	1.8
130.43982	1.2
131.03476	1.2
133.05055	1.9
133.62286	1.2
141.01917	7.1
154.55675	1.2
159.02977	20.2
177.04028	18.2
198.27950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	0.2
59.01387	7.9
59.80411	0.2
69.65664	0.2
71.01385	5.4
72.99332	0.2
73.18954	0.2
77.12375	0.2
85.02968	0.3
89.02441	2.1
94.03026	0.2
96.95985	0.7
101.02477	0.3
113.02444	0.4
119.11844	0.2
119.93695	0.3
121.80495	0.2
130.80597	0.2
134.96100	10.4
135.96141	0.3
136.94023	100.0
137.94106	4.0
151.92737	17.6
152.92821	1.0
154.95084	0.5
178.95079	39.7
179.95161	1.5
189.66559	0.2
196.96178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
53.28577	0.7
58.00623	1.0
59.01392	70.2
71.01392	49.7
72.99321	2.1
81.67992	0.9
85.02982	3.9
89.02450	19.9
91.01912	6.0
92.02679	11.2
95.01385	15.9
96.96019	6.4
101.02463	3.8
108.02184	72.3
113.02468	5.0
119.03513	1.5
121.02946	11.9
123.00912	4.2
136.01671	28.6
144.78819	1.0
146.37556	0.9
151.04033	12.8
164.04655	1.1
179.03519	100.0
180.03868	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	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
54.17250	0.3
57.07375	0.3
58.54721	0.3
59.01386	0.8
61.94990	0.3
62.80264	0.3
72.66286	0.3
77.03954	0.6
81.03452	3.7
82.25101	0.3
89.03962	12.5
89.04527	0.6
93.03426	2.5
95.05016	1.3
95.54777	0.4
105.03448	17.7
107.01379	0.6
109.02968	0.6
110.89174	0.3
121.02950	1.5
133.02951	32.1
134.03374	0.5
139.03951	1.2
149.02457	4.9
159.22899	0.4
176.01228	0.4
177.01936	100.0
178.02281	2.0
184.22058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66568	0.2
55.99015	0.2
59.01383	14.5
62.18916	0.3
71.01398	0.4
77.03977	0.7
81.03462	3.3
83.56255	0.3
89.03963	10.6
93.03474	2.0
95.05032	1.5
105.03460	18.9
109.02961	0.5
117.78008	0.2
121.02972	1.7
133.02959	32.7
133.26144	0.3
134.03308	0.6
139.03972	0.7
142.93794	0.3
145.02982	0.3
149.02469	4.9
150.00932	0.3
162.03226	2.3
176.52744	0.3
177.01947	100.0
178.02299	2.9
188.52138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
54.49440	0.2
54.98721	0.2
59.01384	4.4
60.61542	0.2
61.60927	0.3
63.02402	3.2
65.00325	2.6
65.03967	0.2
67.01907	1.2
68.99822	0.7
71.01396	0.2
71.13072	0.2
81.85443	0.2
89.00321	1.0
89.03969	4.7
91.01897	5.1
92.10117	0.7
93.64575	0.2
95.05037	1.0
105.03465	1.8
107.01392	2.4
109.02959	2.6
121.02942	0.9
123.04536	1.3
132.02144	0.2
133.02963	8.1
135.00851	2.9
147.00899	0.2
149.02441	1.3
151.00374	0.4
153.01971	0.2
162.03264	0.3
177.01942	100.0
178.02298	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	177.0403
Annotation	SCHEMBL15814865
Peak:m/z	Relative Intensity
55.01887	13.8
57.01587	1.1
57.03455	7.5
59.01384	100.0
59.37988	1.1
62.76692	1.0
62.90729	1.3
63.57088	0.9
71.01381	7.1
71.05028	1.5
72.99298	16.8
73.02937	12.6
75.00874	2.8
75.02802	1.1
76.22542	1.2
78.95876	1.2
79.66169	1.3
80.47655	1.3
83.01391	18.9
85.02959	6.8
87.00879	6.5
87.04521	1.4
94.20825	1.5
97.02936	10.6
99.00892	10.9
101.02435	7.6
102.14069	1.2
104.03568	4.4
105.03864	4.9
106.71474	1.3
113.02433	1.8
115.03985	9.6
129.01971	1.8
130.43982	1.2
131.03476	1.2
133.05055	1.9
133.62286	1.2
141.01917	7.1
154.55675	1.2
159.02977	20.2
177.04028	18.2
198.27950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
55.01881	0.8
59.01386	31.2
71.01380	35.5
72.99322	4.3
73.02946	1.7
75.37620	0.8
78.17469	0.8
78.40662	0.8
85.02962	3.8
87.00874	100.0
111.98572	0.8
112.98840	1.6
113.07948	0.9
115.00371	98.3
116.00771	1.2
117.24152	0.9
121.80842	1.1
136.15906	1.1
141.24977	0.9
175.02498	25.2
175.15231	1.0
178.36104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
59.01383	4.9
64.13171	0.6
74.51171	0.6
85.06601	40.8
87.04498	1.3
112.60629	0.8
113.06090	37.8
114.06480	1.0
115.04010	100.0
116.92886	1.0
129.05638	1.1
131.07137	7.4
157.05055	7.5
175.06122	52.1
182.18524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.8
71.01382	0.8
71.34142	0.6
80.14340	0.8
85.06593	42.1
87.00928	1.0
87.04533	1.6
113.06087	39.8
114.06428	0.7
115.04012	100.0
116.92880	0.8
123.40157	0.6
130.67290	0.8
131.07143	7.5
146.22289	0.7
153.31557	0.7
157.05103	8.5
175.06126	50.5
175.07661	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	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
54.00595	0.4
57.95632	0.4
59.01380	1.0
67.01889	1.2
70.04114	0.5
71.01382	8.6
83.01385	2.2
85.02948	100.0
86.03300	2.2
91.54696	0.5
92.10829	0.6
92.61227	0.6
99.00903	4.2
111.00878	19.2
112.98811	8.2
124.98800	2.3
129.01929	15.9
142.99847	4.0
173.00894	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	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	3.0
57.03474	1.1
57.47161	1.4
58.45285	1.3
59.01381	9.6
65.03950	1.6
69.03468	2.2
71.01398	7.8
73.02946	37.2
73.93605	1.3
81.03472	6.4
83.05038	16.5
85.02971	2.5
93.03453	100.0
99.00899	8.2
99.04511	12.1
111.04517	26.1
117.00460	2.3
119.00232	2.6
129.01944	1.9
137.02477	22.8
143.03482	2.0
144.99989	1.4
155.03537	7.7
160.94063	1.3
173.04533	13.3
188.97762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
52.53283	0.4
52.82072	0.4
59.01384	98.0
60.01719	0.7
64.04342	0.5
67.20319	0.4
69.03444	1.2
71.01387	1.0
73.02941	5.6
81.03428	0.6
82.83194	0.5
83.05038	3.0
85.02941	1.2
85.06587	25.0
93.03449	15.1
99.00873	0.7
99.04504	0.8
111.04520	3.9
113.06082	21.0
115.19281	0.6
131.07135	100.0
132.07497	2.2
137.02412	0.7
137.66934	0.5
173.04575	2.0
173.08224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
50.96687	0.5
54.11528	0.5
56.44316	0.6
58.02981	1.3
67.44479	0.6
92.10175	0.7
108.88304	0.7
114.22729	0.6
128.10768	5.9
130.08734	100.0
131.09099	1.2
152.87756	0.7
172.09804	18.2
190.59421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58881	0.3
54.25224	0.3
55.01880	0.3
57.03447	0.5
67.01890	2.0
67.18024	0.3
71.01382	3.2
72.99306	0.7
73.02943	1.2
73.44069	0.3
77.02104	0.3
80.30850	0.3
83.01402	0.6
85.02952	100.0
86.03294	1.6
93.03469	2.2
99.00843	1.4
101.02442	0.5
103.35037	0.4
111.00887	26.7
112.98837	2.7
121.16657	0.3
124.98804	0.4
129.01947	14.4
137.02437	0.4
142.99866	0.6
154.99741	0.5
164.52309	0.3
173.00888	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	173.0091
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.01884	3.6
57.03463	6.3
58.00582	1.4
59.01390	8.0
65.04005	1.8
67.01905	9.1
69.03461	2.0
71.01381	47.4
72.99316	8.9
73.02941	27.1
75.88627	1.3
76.57616	1.4
81.03449	2.1
83.01398	9.0
83.05025	13.0
84.02219	1.2
85.02952	36.6
87.00872	7.6
90.19759	1.4
93.03452	53.1
99.00878	25.1
99.04514	5.9
101.02460	6.3
106.15553	1.4
111.00880	100.0
111.04501	11.0
112.98814	50.8
114.04668	1.3
124.98803	9.6
129.01949	10.6
129.05605	2.2
137.02454	15.4
142.99875	22.4
154.99837	7.3
155.03452	3.3
173.00941	9.1
173.04555	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	168.0302
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
53.55519	0.6
64.68604	0.7
83.27766	0.7
86.34339	0.6
101.29405	0.8
108.02177	52.1
122.02487	4.9
138.01971	100.0
139.02330	0.8
140.03487	1.0
166.01462	80.0
167.01772	1.3
168.03026	93.5
169.03355	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	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	100.0
61.98848	2.9
68.99844	4.8
82.95441	8.8
87.00854	2.3
89.54128	2.2
92.10155	3.8
125.02443	33.1
126.90388	4.3
133.90175	2.0
141.02080	3.8
146.71002	2.4
168.13940	8.8
169.01425	8.1
169.04053	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	170.9785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53764	0.6
59.01385	100.0
60.02332	0.8
71.01373	1.2
72.99310	1.9
73.98606	3.3
74.99375	19.3
78.95902	51.1
80.46434	0.7
96.96966	3.6
109.03008	1.0
115.98234	0.8
117.00446	97.9
118.00537	4.7
123.52126	0.8
128.96788	4.8
150.48361	0.7
166.09364	0.8
170.97858	36.9
171.00621	4.8
171.97928	1.5
178.43323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
54.82978	0.9
55.91641	0.9
59.41766	0.8
65.65531	0.8
68.49245	0.8
71.21810	0.8
93.28548	0.9
94.29273	0.7
103.69195	0.9
125.09731	2.0
127.07662	1.0
127.11277	6.7
138.22388	0.8
151.32834	0.8
153.09306	0.9
157.06155	1.0
162.57414	0.8
171.02029	1.1
171.10275	100.0
172.10591	1.6
189.12140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
54.82780	1.6
55.01899	1.8
64.94453	1.1
65.53295	1.0
72.99321	1.8
75.39673	1.4
79.22691	1.0
79.29503	1.0
80.19189	1.0
88.18097	1.2
88.98814	2.0
91.03580	1.0
99.08195	1.5
99.92587	1.3
110.31351	1.0
113.05330	1.1
118.51319	1.0
125.09725	4.6
127.07661	10.3
127.11308	7.5
171.02042	4.9
171.10284	100.0
188.67711	1.2
193.25903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	1.6
64.35052	0.6
68.03643	0.7
68.22401	0.7
71.38067	0.6
87.44344	0.7
93.03413	0.7
110.28513	0.7
128.10812	5.7
130.08736	100.0
131.09105	2.9
172.09799	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
50.91841	0.3
52.72759	0.3
62.99004	0.3
65.26173	0.3
67.01888	0.5
69.57273	0.3
77.03977	1.7
83.01391	0.5
95.01382	0.8
102.80785	0.3
108.02155	3.6
109.02961	11.1
111.00900	4.6
121.02948	23.4
123.00890	6.5
124.01669	8.5
130.91541	0.3
135.04514	0.4
136.01619	0.5
139.00407	0.6
142.05228	0.4
150.03223	2.2
150.06329	0.4
164.83629	0.9
165.05568	100.0
166.05887	3.0
171.24606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32988	0.2
63.18951	0.2
63.82929	0.2
65.26221	0.2
68.62931	0.2
70.86324	0.2
77.03970	1.6
82.31813	0.2
86.16969	0.2
99.71024	0.2
121.02955	18.4
122.03756	12.2
122.29840	0.3
123.04139	0.3
133.82315	0.3
135.04509	0.3
150.03236	100.0
151.03568	2.5
164.83643	2.2
164.89612	0.3
165.02016	1.7
165.04146	0.4
165.05577	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	167.0349
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
55.30167	0.4
55.30692	0.4
60.54966	0.5
61.11115	0.4
62.38505	0.5
65.00323	0.7
76.97342	0.5
80.02689	0.9
91.01910	5.1
92.10827	0.6
102.00132	0.4
108.02187	63.9
109.02528	1.9
123.04528	19.8
124.04855	0.4
152.01166	100.0
153.01477	3.9
167.03502	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	167.0351
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
50.13245	0.3
55.00882	0.4
55.62767	0.3
57.03455	0.8
59.01386	2.8
65.00329	1.1
66.77171	0.4
80.02699	0.6
80.16244	0.4
81.03455	23.5
83.01388	9.8
95.05019	2.9
107.01392	3.6
108.02184	1.1
111.63616	0.4
118.25524	0.5
119.21397	0.5
121.80844	0.5
123.04530	100.0
124.04872	3.0
125.02463	6.2
151.00368	4.5
152.01131	1.1
167.03508	72.0
167.10852	0.7
168.03841	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	167.0713
Annotation	1,3,5-Trimethoxybenzene
Peak:m/z	Relative Intensity
68.19261	0.9
68.99838	0.8
69.60360	0.8
78.95899	52.5
81.03469	1.9
86.58679	0.9
93.03463	3.9
95.01389	21.5
107.05049	4.7
108.02193	3.9
117.03479	4.1
119.05023	19.4
121.02963	8.0
123.00888	9.6
123.04501	5.6
140.02528	2.1
149.06081	9.7
152.01187	4.3
166.99846	1.1
167.03609	7.9
167.07144	100.0
167.10817	4.8
168.07542	1.6
168.19815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71840	0.2
57.91109	0.2
62.20811	0.2
89.36731	0.2
92.02663	0.8
93.03455	18.6
95.01381	0.5
108.02168	4.2
120.02146	1.2
121.02959	2.1
130.69800	0.2
135.04530	100.0
136.04877	2.5
165.05563	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	165.0555
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
50.39156	0.8
51.26208	0.9
55.86513	0.9
57.30519	0.9
61.73986	0.8
64.34502	1.0
92.02670	1.0
93.03453	75.3
94.03811	1.1
108.02157	1.9
119.05020	100.0
120.05363	1.3
121.02953	81.6
121.06590	4.4
121.49139	1.0
123.04498	1.0
137.06087	6.9
146.03754	2.2
147.03355	1.4
147.04527	42.2
165.05566	90.4
166.05908	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	165.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54076	0.1
56.56458	0.1
57.41855	0.1
59.00593	0.1
60.10100	0.1
60.67989	0.1
76.78454	0.1
77.03964	0.7
92.02669	0.6
92.10191	0.4
93.03448	18.2
94.03790	0.3
95.01390	0.7
108.02177	3.9
120.02161	0.3
121.02944	9.0
122.03292	0.3
135.04520	100.0
136.04840	2.5
137.02437	0.2
147.04512	0.7
164.83609	0.7
165.01942	1.3
165.05554	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.96402	0.8
57.51599	0.8
58.71300	0.9
61.63084	0.8
65.06165	0.8
72.00915	40.3
72.14396	0.8
74.18911	0.9
78.95951	1.0
91.05558	4.0
93.94975	0.8
104.05903	0.8
119.04975	1.1
121.02968	7.7
147.04529	100.0
148.04878	1.2
150.03238	4.3
164.07187	49.4
165.07535	1.2
179.02855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
57.49670	0.2
59.01374	0.5
66.10114	0.2
73.66221	0.3
73.69512	0.3
77.03960	7.0
80.63095	0.3
87.00874	0.6
93.03430	0.6
94.82996	0.3
96.96023	0.5
105.01958	0.5
106.31243	0.3
112.81453	0.3
117.69740	0.3
121.02946	100.0
122.03277	3.4
132.46492	0.3
137.02377	0.4
150.03236	0.6
164.83618	4.9
164.89516	1.4
165.01939	5.9
165.04062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
51.72313	1.1
53.57133	1.2
55.01876	2.4
59.01388	10.1
60.39184	1.3
71.01385	10.0
72.99315	5.9
73.02946	2.3
73.70110	1.5
75.00868	36.8
75.71999	1.5
87.00873	100.0
99.00861	14.2
101.02433	2.8
105.01933	81.6
121.02944	1.8
129.01926	3.0
147.03006	10.1
165.04033	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.3
63.06269	0.7
69.00388	0.7
69.23273	0.7
72.32175	0.9
73.20670	0.7
73.93713	0.9
75.00896	1.4
77.09939	0.8
87.00879	5.2
93.03447	14.2
105.01939	5.7
121.02951	24.1
122.03742	22.5
136.01700	1.1
149.02408	6.6
150.03227	100.0
151.03604	1.4
165.04024	4.4
165.05571	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	163.0611
Annotation	6-deoxy-alpha-L-mannofuranose
Peak:m/z	Relative Intensity
54.82524	0.2
57.03446	1.2
59.01385	0.4
71.01397	2.4
71.71441	0.3
73.02950	4.8
75.00868	1.3
76.57376	0.2
77.31792	0.3
82.72009	0.3
87.00885	0.3
87.04525	0.5
89.02444	1.4
101.02441	100.0
102.02769	1.8
117.01933	0.5
119.03476	1.4
119.04984	0.3
145.05013	0.4
162.89308	2.2
163.06122	29.2
164.06438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61243	0.4
55.01888	0.6
55.47538	0.4
57.03441	1.8
59.01381	1.9
64.82602	0.4
64.99667	0.5
65.33376	0.4
71.01376	2.7
72.99313	1.0
73.02947	4.8
75.00867	2.9
83.01382	1.0
85.03024	0.5
85.59392	0.4
87.00862	0.5
87.04500	2.6
91.57446	0.4
99.00867	4.5
101.02443	100.0
102.02773	0.9
104.92718	0.4
114.57203	0.5
117.01923	2.1
117.05531	0.7
119.03497	14.4
119.05022	2.1
142.60464	0.4
145.01440	7.0
145.05106	0.6
145.89066	2.3
162.89349	21.5
163.02454	2.8
163.06129	34.9
164.06514	0.5
164.72336	0.4
180.24409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35438	4.2
54.82968	4.9
55.00577	5.5
59.01393	9.3
61.98836	7.4
66.49269	5.3
91.55182	5.5
92.10756	7.6
95.91577	5.8
102.63896	5.3
103.96720	6.1
116.92117	27.4
118.99247	100.0
119.05031	39.5
162.83925	10.8
163.11298	34.7
182.38899	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	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07939	1.5
55.01881	3.2
55.26543	1.9
57.03454	93.4
59.01382	72.3
59.01653	3.5
63.79451	1.6
71.01381	40.5
71.05009	33.6
72.99323	3.0
73.02935	25.6
81.03458	3.6
83.01395	16.3
85.02945	56.3
87.00902	11.0
87.04536	4.0
89.02473	4.8
95.01423	2.6
97.02934	2.3
99.00858	3.6
99.04510	100.0
100.93679	2.0
101.02433	52.2
113.02439	11.0
113.41784	1.9
115.03987	15.4
116.92919	2.5
117.05576	20.2
131.03510	26.7
143.03516	44.6
153.60950	1.9
154.02722	2.1
160.89281	8.5
161.04565	58.6
161.89357	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	163.04
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
55.64720	0.3
55.88805	0.3
58.94784	0.3
65.24727	0.3
75.88409	0.3
82.07389	0.3
82.92080	0.3
93.03459	1.5
113.28912	0.3
113.52670	0.3
119.05027	100.0
120.05357	3.0
134.32420	0.3
162.83949	0.4
163.03999	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	163.0402
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.47462	0.3
52.15729	0.3
59.86274	0.4
60.35585	0.3
77.85017	0.4
91.71767	0.4
93.03469	0.9
109.81979	0.5
113.56882	0.5
114.94952	0.5
118.81340	0.4
119.05022	100.0
120.05374	1.0
162.83896	1.0
162.89464	1.8
163.04010	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	163.0612
Annotation	L-Rhamnofuranose
Peak:m/z	Relative Intensity
54.61243	0.4
55.01888	0.6
55.47538	0.4
57.03441	1.8
59.01381	1.9
64.82602	0.4
64.99667	0.5
65.33376	0.4
71.01376	2.7
72.99313	1.0
73.02947	4.8
75.00867	2.9
83.01382	1.0
85.03024	0.5
85.59392	0.4
87.00862	0.5
87.04500	2.6
91.57446	0.4
99.00867	4.5
101.02443	100.0
102.02773	0.9
104.92718	0.4
114.57203	0.5
117.01923	2.1
117.05531	0.7
119.03497	14.4
119.05022	2.1
142.60464	0.4
145.01440	7.0
145.05106	0.6
145.89066	2.3
162.89349	21.5
163.02454	2.8
163.06129	34.9
164.06514	0.5
164.72336	0.4
180.24409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72602	0.2
59.01377	5.3
59.01643	0.3
63.88677	0.3
65.78326	0.3
71.01384	0.5
71.32423	0.3
73.02931	0.6
74.72575	0.3
76.57425	0.3
84.84686	0.3
84.93909	0.5
86.95434	2.9
96.05469	0.3
98.95564	0.4
99.92580	35.9
100.92600	1.6
101.02487	0.4
114.94930	21.3
115.92094	0.5
115.94976	0.4
116.92860	100.0
117.92873	4.4
129.01924	0.5
141.86757	0.5
151.81456	0.3
158.84648	1.5
158.89296	2.2
158.93924	11.2
159.03029	0.7
159.87993	0.4
159.89377	2.0
159.94016	0.5
167.01740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1026
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
59.01393	0.4
71.01381	0.4
86.40522	0.4
90.22817	0.3
111.08118	0.5
113.09729	19.4
116.92904	0.7
123.08176	0.6
141.09198	1.5
157.08698	0.8
159.10272	100.0
160.10605	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	161.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02419	1.9
55.01900	5.5
57.03454	45.9
58.93918	2.0
59.01384	80.3
69.03468	2.7
71.01377	96.1
71.05021	26.0
72.99324	3.3
73.02943	41.5
81.03468	9.6
83.01389	20.4
84.02155	7.6
85.02947	100.0
87.00864	25.9
87.04536	11.6
89.02464	14.5
93.18224	2.3
95.01401	14.9
97.02973	5.2
99.04514	61.6
101.02446	46.0
113.02454	23.7
115.04004	11.1
117.05595	15.8
131.03491	38.1
131.86940	2.1
143.03503	50.0
149.28523	2.3
161.04562	60.7
162.28236	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	153.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
68.68257	0.3
75.49490	0.3
81.03471	0.5
93.03459	1.1
95.05022	2.0
107.85305	0.3
108.02157	0.6
109.02989	2.3
122.03717	3.1
123.04520	100.0
124.04032	1.6
124.04855	4.2
136.04037	0.4
153.05583	16.0
153.86864	2.3
154.06003	0.6
172.53271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	10.0
59.01384	100.0
66.89650	1.8
71.01384	3.6
72.02180	2.2
72.99309	3.7
74.08650	1.9
78.95904	23.9
79.71596	2.0
83.01411	10.6
86.00117	3.8
90.96405	1.9
95.05005	16.4
96.96001	83.1
96.96978	8.5
97.06620	3.4
99.08167	12.5
107.05036	20.7
111.00883	3.5
111.04542	2.6
113.06065	2.5
114.05600	61.3
125.06085	8.6
126.35744	2.1
127.07642	9.2
130.57246	1.8
136.91763	2.6
140.01256	2.2
154.86917	3.4
154.99901	4.1
155.86581	27.6
156.06645	2.5
167.63847	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	156.0667
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
50.44189	0.9
57.03462	1.6
59.01383	85.8
59.59231	1.1
62.52261	1.1
68.01414	4.8
70.02974	20.5
70.03258	1.1
75.00877	1.8
75.06069	1.1
76.32212	1.0
78.95909	2.5
84.99316	2.2
85.02970	1.5
94.02991	1.7
96.96009	12.1
96.96964	1.2
96.99279	1.2
112.07713	14.6
112.92277	2.1
114.05603	100.0
114.93378	2.0
124.98810	2.6
126.05692	1.5
127.00394	1.2
138.05605	9.6
155.86577	7.8
156.06665	32.7
156.86627	1.7
156.89452	16.6
163.97003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0457
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
55.01891	1.1
57.03452	1.5
58.02983	1.7
59.01376	0.9
60.70149	0.7
66.57866	0.7
69.03429	1.0
71.01389	1.6
71.05017	1.2
82.02981	1.2
84.04544	11.2
86.06113	89.4
96.04565	4.0
97.02947	6.0
99.00870	1.4
112.04047	100.0
113.04433	1.0
114.05614	18.3
115.04001	1.5
141.01920	1.4
144.76482	0.8
158.04616	21.6
158.08229	11.5
158.89323	1.3
159.02985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	(R)-Mandelate
Peak:m/z	Relative Intensity
59.01390	2.1
71.76901	1.0
77.04000	2.1
79.05513	2.1
83.90984	1.1
93.03453	32.8
95.05017	17.4
96.07108	1.4
97.50361	1.0
105.03467	2.2
106.04227	4.3
107.05032	91.2
108.05334	1.9
117.84862	1.5
121.02946	17.7
123.04514	98.0
124.04853	2.6
133.02963	10.8
149.02467	1.9
151.04012	100.0
152.04332	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	151.04
Annotation	3',4'-Dihydroxyacetophenone
Peak:m/z	Relative Intensity
51.02383	0.9
59.01107	0.6
59.01385	12.6
62.11672	0.3
67.01897	3.4
69.03456	2.1
70.17089	0.3
72.33566	0.3
79.01895	2.3
81.03458	4.6
83.01376	0.4
88.73072	0.4
95.01381	12.8
96.01775	0.4
97.02939	1.4
97.66087	0.3
107.01389	4.5
108.02190	6.4
109.02957	14.8
111.00893	1.9
123.00890	12.4
123.04536	4.0
124.01704	4.7
125.02448	12.4
128.30293	0.3
136.01672	17.5
137.01994	0.4
139.00412	0.5
150.03305	0.5
151.00508	2.9
151.04013	100.0
152.01144	2.0
152.04402	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	152.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
59.06594	0.3
59.82806	0.3
66.03490	0.4
78.03495	0.8
96.07083	0.4
106.03005	0.3
107.03773	4.3
109.02960	5.1
121.03014	0.8
122.02438	1.5
122.03738	31.0
123.04036	0.5
129.13577	0.3
152.03539	100.0
153.01947	0.9
153.03874	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	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.59647	0.2
52.52954	0.2
55.89999	0.2
58.89151	0.2
58.96122	0.2
70.38923	0.2
72.81969	0.2
92.10017	0.2
109.02953	1.7
121.02959	2.7
122.03735	42.4
123.04088	0.5
152.03543	100.0
153.01962	0.5
153.03880	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	150.0322
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
52.01103	2.3
53.60956	2.5
59.01382	27.0
68.60344	2.6
89.47092	3.0
102.16843	2.9
122.03736	96.3
124.65633	2.9
136.01640	18.4
150.00212	7.4
150.03244	100.0
151.03963	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	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.61595	0.1
53.04728	0.1
55.53700	0.1
57.85922	0.1
59.00112	0.2
59.01385	3.8
66.83835	0.2
70.68082	0.1
92.02670	0.3
92.66410	0.2
95.01382	0.9
107.05043	0.2
108.02177	7.5
123.04529	0.9
131.79634	0.2
136.01662	100.0
137.02000	3.8
151.04015	9.7
151.05247	0.3
152.04388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.11986	0.3
55.45678	0.4
59.01390	7.7
59.86224	0.3
62.87814	0.4
82.00632	0.7
91.01885	2.3
91.78500	0.4
92.02670	5.8
92.10674	0.8
95.01380	15.0
100.89823	0.4
104.69173	0.4
108.02173	16.9
119.01399	0.7
121.02969	0.6
122.03755	0.5
123.00877	2.3
123.04515	1.7
136.01659	81.0
137.02039	1.9
151.04013	100.0
152.04370	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	149.0455
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
50.07762	0.6
54.82330	0.8
59.01381	9.6
59.70869	0.6
69.03477	1.6
71.01379	30.0
72.99318	1.5
73.02944	22.5
75.00867	8.0
87.00875	7.9
89.02439	100.0
92.10079	1.5
101.02427	1.1
103.03998	7.3
118.65025	0.6
126.38467	0.7
131.03493	14.9
149.04562	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	D-(-)-Arabinose
Peak:m/z	Relative Intensity
59.01389	9.6
69.03495	1.6
71.01385	23.5
72.99319	6.2
73.02943	18.3
75.00871	15.7
86.77041	0.7
87.00888	12.5
89.02448	100.0
90.02788	0.7
101.02451	1.2
103.04008	8.2
131.03494	14.4
138.34676	0.7
142.28561	0.8
149.00954	1.9
149.04562	61.2
152.03667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0609
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
59.01392	2.8
68.54423	0.2
70.35394	0.2
70.55190	0.2
71.01385	2.0
72.99350	0.3
85.02943	0.2
89.02447	1.4
92.02686	1.0
93.02862	0.5
93.03455	16.5
94.99302	3.3
95.01376	3.5
104.97761	1.3
108.02175	17.5
109.02512	0.3
112.02274	0.2
118.81690	0.2
120.02164	0.5
120.67317	0.3
121.02952	1.4
134.03680	0.4
143.98878	0.2
147.16530	0.3
148.96744	1.0
149.06082	100.0
150.00218	1.2
150.06416	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34196	1.0
55.01872	1.3
57.03453	33.6
59.01385	15.1
65.11165	1.2
69.75800	1.0
71.01378	51.9
72.99310	14.1
83.84540	1.3
85.02951	79.0
87.00872	100.0
96.78242	1.3
99.00885	10.8
101.02459	7.4
101.06151	1.1
103.04005	9.3
115.00313	1.3
129.01945	62.5
147.03008	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	17.6
57.34262	1.0
58.59237	0.8
59.01382	22.5
65.28219	1.1
65.95343	0.9
69.08704	1.0
71.01378	100.0
72.99299	32.0
72.99673	1.1
75.00872	1.8
85.02953	34.5
86.08478	1.0
87.00873	45.4
88.35300	1.0
89.13777	1.0
96.99316	1.6
99.00888	5.9
101.02454	5.2
103.04038	5.4
129.01939	63.6
136.92671	1.2
147.03012	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	147.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97601	0.7
55.01894	1.3
57.03453	10.7
59.01381	26.6
60.53809	0.8
62.66241	0.9
71.01380	100.0
72.01712	1.0
72.26633	0.7
72.99306	51.6
81.89718	0.8
85.02969	2.0
87.00873	21.2
88.16682	0.8
99.00867	4.8
101.02428	1.5
101.06112	1.0
118.87368	0.8
129.01959	10.1
134.90213	0.8
147.06630	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.26193	1.6
55.01896	9.9
57.03448	3.9
59.01384	27.5
61.98837	100.0
68.99815	2.9
71.01379	97.0
74.96191	2.3
75.00888	4.6
84.99301	25.0
85.02978	4.6
89.02476	5.4
92.10749	2.7
94.73968	2.3
99.00876	56.4
116.72200	2.2
128.98303	4.7
133.15521	2.3
147.02852	3.0
147.03238	2.7
147.04535	85.2
154.79857	2.3
162.25908	2.4
169.98079	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	147.0453
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
51.07975	0.2
55.01885	0.5
55.24225	0.3
57.03445	0.3
59.01392	1.6
61.26065	0.3
61.98830	2.7
66.18317	0.3
69.04811	0.3
71.01387	8.4
72.99305	0.3
75.10323	0.3
84.99316	0.7
85.51102	0.3
89.02431	0.4
93.03457	1.8
99.00873	5.9
101.02419	0.4
104.98205	0.3
112.51283	0.3
119.05019	6.9
129.01938	0.5
129.03439	3.7
129.86955	0.3
147.04529	100.0
148.04883	3.2
157.93930	0.3
161.50743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0507
Annotation	2-Methylglutaric Acid
Peak:m/z	Relative Intensity
57.03438	1.1
58.08043	1.2
66.63901	1.1
71.01393	2.0
73.06448	1.2
81.03446	2.3
83.01388	5.7
83.05022	19.3
85.02973	3.4
87.00883	2.0
92.10136	1.6
96.89532	1.3
101.06078	100.0
115.92033	3.4
127.00390	2.0
127.04033	5.4
139.34850	1.7
145.04033	1.9
145.05084	30.4
145.06483	2.9
146.02507	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.62234	0.3
58.88821	0.4
83.01398	0.5
97.06586	2.4
99.08151	100.0
100.08489	2.8
101.06049	0.5
117.99010	0.4
127.07655	3.7
143.07156	0.9
144.55386	0.4
145.08711	56.1
146.02466	0.9
146.09050	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	145.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.9
57.03448	58.6
59.01387	7.4
71.01373	13.4
73.02927	15.0
75.13651	1.2
77.74467	1.2
83.01381	9.5
86.15586	1.2
87.00879	7.7
99.00890	3.2
101.02431	100.0
102.48730	1.4
115.00375	8.7
127.00366	6.2
129.26817	1.3
145.01433	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	145.0143
Annotation	Oxoglutaric acid
Peak:m/z	Relative Intensity
55.01887	2.2
57.03454	34.2
59.01390	2.2
62.20466	1.0
71.01379	2.7
73.02937	14.3
83.01419	3.1
86.44319	1.2
87.00883	2.3
99.00881	2.9
101.02438	100.0
102.02761	1.8
115.00335	1.8
119.03707	1.4
127.05040	1.3
145.01448	8.0
156.71024	1.2
159.30756	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	145.0143
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
51.65651	1.3
54.82867	1.3
55.01902	2.1
56.09841	1.0
56.35017	1.2
57.03463	39.6
58.67222	1.3
59.01424	1.6
71.01405	8.8
73.02946	18.2
74.19081	1.2
82.52188	1.5
83.01407	6.1
85.93545	1.4
87.00893	3.5
92.10146	1.9
99.00867	2.4
101.02445	100.0
102.02823	1.8
115.00374	6.8
127.00367	3.5
129.05627	1.4
144.96393	2.2
145.01471	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	143.0349
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.00299	0.6
57.03456	0.9
58.00599	4.5
58.72325	0.5
67.01892	36.9
69.03439	0.6
71.01405	2.6
71.05028	0.6
78.42680	0.5
81.03470	0.9
82.03005	3.6
83.01415	2.2
84.02204	0.5
85.02971	1.2
87.92530	1.0
99.04513	14.2
100.85678	0.5
103.92065	0.6
111.00884	100.0
112.01212	0.8
115.03973	3.8
124.98807	3.5
125.16915	0.7
142.99857	5.4
143.03545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0714
Annotation	SCHEMBL9008708
Peak:m/z	Relative Intensity
53.65616	0.5
57.03457	2.6
61.98828	1.2
68.21450	0.5
69.03459	0.9
70.31985	0.6
71.01392	2.8
72.99306	46.0
78.05277	0.6
82.60671	0.6
85.02962	1.4
92.10736	1.4
97.06583	42.1
99.08152	0.9
108.94290	0.7
113.02455	1.2
114.38875	0.7
122.11143	0.6
125.06079	100.0
126.06438	3.5
143.07146	30.9
144.07570	0.9
164.21933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
61.98836	2.4
65.60019	0.2
83.01414	0.3
99.08142	0.3
102.83643	0.2
116.05051	1.3
126.03477	1.0
143.03769	0.2
144.04562	100.0
145.04926	3.8
162.71364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
50.32933	0.2
55.20345	0.2
65.03978	0.3
93.03456	100.0
94.03794	2.3
109.02921	0.3
110.19584	0.2
136.89160	0.3
137.02449	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	137.0608
Annotation	3-(Hydroxymethyl)-5-methylphenol
Peak:m/z	Relative Intensity
56.98382	0.2
61.22629	0.2
63.33680	0.2
65.03959	2.3
65.04238	0.2
66.50446	0.2
70.17815	0.2
78.75365	0.2
79.05537	1.1
81.03478	0.2
92.23952	0.2
93.03452	12.0
94.03777	0.4
99.92603	0.4
107.05034	100.0
108.02162	0.5
108.05376	3.7
109.02963	0.2
119.05054	0.2
121.02872	0.3
125.30693	0.2
136.01703	0.3
136.86267	1.2
136.89191	6.8
137.02443	5.7
137.03462	0.2
137.05084	0.4
137.06091	8.4
137.89165	0.9
138.01917	0.5
143.95938	0.3
143.97591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0607
Annotation	4-Hydroxyphenylethanol
Peak:m/z	Relative Intensity
54.80598	0.2
65.03944	0.3
70.00221	0.2
71.16960	0.2
76.00298	0.2
93.03455	11.2
94.03770	0.4
99.22437	0.2
99.92575	0.5
106.04224	0.5
107.05029	100.0
108.02095	0.8
108.05379	3.6
117.03501	0.3
119.05019	65.1
120.05357	3.1
126.88616	0.2
131.95576	0.2
135.04524	1.6
136.86319	1.8
136.89166	6.1
137.02443	5.8
137.06079	11.8
137.07156	0.5
137.89174	0.9
138.01987	0.9
138.06448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0607
Annotation	SCHEMBL9698637
Peak:m/z	Relative Intensity
54.12175	1.2
68.20699	1.4
80.39246	1.7
81.03456	2.3
93.03455	100.0
94.03788	2.1
99.92590	10.5
106.04243	13.9
107.05069	2.8
108.02189	8.7
109.02973	6.6
119.05035	16.5
136.86298	25.9
136.89185	54.4
137.02466	47.1
137.06082	68.7
137.89252	7.5
138.01964	3.1
138.05566	3.2
144.23927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0608
Annotation	2-(4-Hydroxyphenyl)ethanol
Peak:m/z	Relative Intensity
54.86281	0.3
55.90296	0.3
59.40757	0.3
66.48504	0.3
70.89379	0.3
75.82121	0.4
77.89233	0.3
81.03452	2.7
92.10820	0.4
92.24100	0.4
93.03461	8.1
106.04250	21.0
107.05080	6.0
108.02174	3.9
119.05027	23.4
120.05342	0.6
123.03223	0.7
135.04507	2.7
136.89185	3.7
137.02452	2.2
137.06087	100.0
138.03242	1.6
138.05498	0.6
138.06430	3.6
150.28630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.77385	0.1
54.20069	0.1
56.26934	0.1
56.52243	0.2
58.23430	0.2
70.01059	0.2
74.55526	0.2
78.95902	0.2
92.10223	0.3
104.88692	0.2
108.02175	50.1
109.02497	0.8
133.76096	0.2
137.89206	0.3
138.01968	100.0
139.02339	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	142.0662
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
57.03456	1.2
58.34216	0.6
59.01381	7.0
60.01730	5.1
62.27922	0.6
69.03482	0.7
70.02350	0.8
71.01383	3.6
71.05045	0.8
73.02940	0.6
76.76764	0.6
85.02960	3.1
88.03658	0.6
90.88716	0.7
113.02473	0.9
115.03055	1.0
116.05106	1.1
129.25012	0.7
142.04161	3.6
142.06628	100.0
143.03596	2.5
143.06976	6.9
143.45621	0.8
150.42403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85377	1.9
51.55027	2.4
53.00315	12.5
55.01892	2.8
58.47229	2.0
59.01381	19.7
59.17560	2.1
68.99826	5.4
71.01383	38.5
73.02955	3.7
80.99854	2.2
83.01395	3.8
85.02975	4.3
87.00896	5.2
92.10704	3.2
95.62116	2.1
96.29256	2.1
96.99306	18.8
112.98805	20.4
115.00374	4.2
124.98785	42.5
140.98293	5.8
142.99870	100.0
143.03578	4.5
144.00284	3.0
160.29964	3.0
162.55013	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	7.6
55.09943	3.3
56.37910	3.0
57.03446	5.9
57.50741	2.7
57.74939	3.1
59.01385	26.2
68.99818	4.6
71.01376	43.6
80.99806	3.5
83.01375	6.9
85.02966	4.0
87.00879	6.5
96.99313	21.1
99.04483	3.8
112.98784	20.7
113.02496	3.6
115.00360	6.9
124.98823	47.3
131.27974	3.2
140.98288	3.9
142.99872	100.0
143.03647	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
57.69405	0.6
64.34340	0.9
67.25918	0.7
75.00874	1.3
87.02638	0.7
91.99144	0.9
92.02551	4.3
93.84374	0.8
107.03642	23.2
111.00048	0.8
134.04727	100.0
134.86552	4.1
134.89487	25.2
135.04492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0451
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.17674	0.6
59.01390	0.8
59.39942	0.6
71.01367	0.8
72.99333	1.1
73.21497	0.7
74.86288	0.7
75.00871	7.5
89.02455	1.0
91.61024	0.6
92.06618	0.7
93.03454	3.8
95.05027	4.0
105.03485	0.7
106.04244	20.1
107.05035	100.0
108.02203	3.8
108.05372	3.2
121.36707	0.8
123.04519	12.1
134.03723	19.3
134.86552	1.0
134.89458	7.3
135.02957	2.0
135.04520	59.8
136.04877	3.0
138.03229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29350	0.1
64.23948	0.1
65.16416	0.2
66.87769	0.2
73.50727	0.2
75.00880	0.3
81.99075	0.1
82.00622	0.2
92.02684	1.4
92.05076	1.0
93.03457	26.4
94.03779	0.7
95.01389	2.0
99.92592	0.4
107.05022	0.2
107.25218	0.2
108.02185	11.1
109.02509	0.2
120.02171	0.9
123.00917	0.2
134.86586	1.3
134.89474	5.2
135.04532	100.0
135.89479	0.4
136.01703	0.2
136.04866	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	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13619	0.2
64.34785	0.2
65.03945	0.4
85.10981	0.2
93.03455	100.0
94.03791	2.8
113.18428	0.2
136.01651	0.5
136.86334	0.2
136.89188	0.9
137.02449	17.7
138.02788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
51.17644	0.9
51.44350	1.0
59.01390	4.2
68.99820	9.9
69.03471	5.7
71.01390	5.1
73.02935	11.7
84.95219	1.0
85.02972	2.3
85.06589	100.0
87.04532	4.5
92.10799	2.8
111.52238	1.0
113.06075	1.4
131.03511	2.3
131.07143	69.9
135.66467	1.4
140.26323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
50.97519	0.3
52.41431	0.2
57.03449	0.6
59.01382	100.0
68.99814	3.4
71.01382	1.3
72.08092	0.3
73.02940	2.2
85.02946	1.3
85.06599	1.4
87.04521	0.8
90.85572	0.3
92.10023	0.3
101.02464	0.4
131.07132	10.6
131.09109	0.4
141.08243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59562	0.7
59.01384	1.3
68.99828	6.1
69.03461	7.9
71.01371	4.3
73.02950	5.6
85.02972	1.9
85.06586	100.0
90.51344	0.9
101.02439	1.1
113.06100	2.4
113.70958	1.0
117.96754	1.0
129.05566	1.5
131.03474	1.0
131.07137	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34155	0.5
59.01381	0.9
71.01385	64.3
72.99307	13.4
87.00891	1.5
89.02438	7.4
98.22198	0.5
115.00368	100.0
122.34799	0.6
133.01421	26.8
147.78259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
54.95047	0.4
59.01385	1.1
69.69556	0.4
71.01376	64.4
72.99299	14.4
87.00877	1.1
89.02434	7.4
92.10808	1.4
96.47199	0.5
115.00367	100.0
116.00688	1.3
127.81197	0.5
133.01431	30.3
142.70901	0.5
146.89606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0193
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
55.01893	4.9
57.03457	16.2
61.03532	1.0
67.01892	25.7
68.99815	1.5
71.01379	0.9
71.71860	1.0
85.02952	100.0
86.03298	1.7
86.11176	1.1
95.95541	0.9
100.28139	0.9
110.18547	1.0
111.00781	1.0
114.48730	1.0
119.67140	1.0
128.66223	0.9
129.01949	9.1
130.08754	9.9
141.26868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0193
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
50.15083	0.9
57.03452	8.3
66.27777	1.1
67.01906	11.9
71.01402	5.3
85.02956	100.0
86.03319	1.1
105.80785	0.9
122.27667	1.0
129.01949	10.7
133.89027	1.0
140.73404	1.0
140.83946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
50.33392	0.9
57.03453	6.4
59.01380	1.5
59.58558	0.8
61.10174	0.7
61.30615	0.9
62.48526	0.8
62.90603	0.8
64.86851	0.8
69.47703	0.8
70.05103	0.8
76.58115	0.8
79.63521	0.9
83.05015	14.6
85.02951	3.8
85.06588	100.0
111.04522	20.3
128.90152	5.4
129.01912	1.8
129.05579	39.9
130.08710	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	129.0557
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
57.03453	100.0
65.30276	2.0
70.45276	2.1
83.05023	58.2
83.05480	3.1
85.02945	3.9
85.06588	74.0
92.65786	2.5
96.26103	2.2
111.04518	15.0
128.90192	2.9
129.01881	2.6
129.05566	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	130.0873
Annotation	DL-beta-Leucine
Peak:m/z	Relative Intensity
53.78393	1.3
54.91868	1.4
55.85489	1.2
59.01392	9.9
68.99849	10.7
73.02965	3.5
74.55447	1.5
79.81517	1.3
83.96244	1.4
85.02964	2.6
87.04513	2.4
110.61755	1.5
118.91172	1.4
130.08739	100.0
131.03494	1.5
139.32489	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15266	1.5
59.01402	3.6
67.02502	1.7
68.99828	8.9
71.01403	2.7
71.37962	1.5
73.02968	7.9
101.02425	2.0
111.23249	1.9
113.84145	1.9
130.08742	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	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.51651	0.4
55.73241	0.5
59.01385	1.1
61.98814	0.5
70.17258	0.5
89.57509	0.5
93.03453	2.5
108.02216	0.5
121.02949	100.0
122.02510	0.7
122.03313	2.9
122.29651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0608
Annotation	2-methyl-1,3-Cyclohexanedione
Peak:m/z	Relative Intensity
53.92824	4.7
57.03460	4.7
61.67501	3.5
67.57143	4.3
69.03481	27.1
69.11827	3.9
83.39894	4.7
87.16808	3.9
87.93709	3.5
97.02994	6.7
97.06579	4.3
97.88374	4.5
125.02437	35.1
125.06072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0193
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
51.06004	2.2
52.40066	2.6
55.01894	18.8
57.03451	78.3
64.45152	3.0
67.01893	100.0
69.73445	3.1
71.01384	70.4
72.99310	3.3
73.02947	4.0
83.01417	3.7
85.02954	71.8
85.36002	2.9
92.10135	3.4
93.94715	3.3
113.92619	3.9
129.01907	16.5
129.35345	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	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.74829	0.4
55.01899	0.6
56.55216	0.3
57.36757	0.4
59.01385	64.6
65.03967	0.4
71.01396	3.3
93.03471	2.9
101.92429	2.3
118.92645	4.2
118.93402	0.6
119.02540	2.1
119.03311	2.6
119.05022	100.0
120.05371	0.9
122.15242	0.5
126.60614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
83.32916	0.2
85.02972	0.6
91.66741	0.1
101.02446	0.2
117.03451	4.1
131.01436	0.8
144.78403	0.2
149.02403	0.1
161.02463	0.8
163.04008	0.7
173.02449	3.6
175.00372	5.3
175.01913	0.2
184.11624	0.1
185.02463	0.2
208.16228	0.1
221.06076	0.3
225.05444	0.2
237.05653	0.2
249.05592	0.7
251.03276	0.2
265.05109	0.3
269.04590	1.8
281.04578	1.5
282.05405	0.7
283.06140	5.0
293.04596	100.0
294.04929	2.4
295.06110	0.8
311.05658	11.1
314.04361	1.0
323.05536	1.6
335.05722	0.7
341.06696	1.6
353.06815	0.2
361.01102	0.2
377.06845	0.1
413.08875	17.6
414.09012	0.3
457.11337	1.1
467.87872	0.1
577.15741	57.4
578.16071	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	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.68558	0.2
69.74976	0.2
71.81692	0.2
74.92645	0.2
91.01894	0.5
92.02684	0.4
92.10778	0.4
93.03435	1.7
95.01354	0.3
104.74155	0.2
108.02181	2.0
121.02948	100.0
122.03281	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	113.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84907	2.7
56.72232	2.4
60.20438	2.2
63.19556	2.3
68.99572	100.0
68.99944	3.8
72.28363	2.4
78.51268	2.4
108.63640	2.5
112.98612	3.3
113.06148	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	113.0608
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
54.39626	0.5
57.03455	3.2
61.25916	0.5
68.89736	0.5
68.99570	100.0
69.03446	0.5
69.72604	0.6
72.55656	0.5
80.47572	0.5
85.02949	5.1
85.05985	0.5
87.17896	0.7
92.02493	0.5
112.98602	3.5
113.02462	2.6
113.06091	48.6
114.06386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6394
Annotation	Unknow
Peak:m/z	Relative Intensity
78.64536	0.3
78.86829	0.3
78.95900	28.0
96.96964	2.2
100.10056	0.4
100.96275	0.3
104.68245	0.4
114.73846	0.4
150.25630	0.4
152.99596	53.1
171.00636	16.4
174.94749	0.3
181.45175	0.4
227.03334	0.9
245.04330	63.9
246.04820	0.4
253.21758	26.3
309.96643	0.4
321.00500	0.4
481.25790	100.0
482.26126	2.4
497.32104	0.4
514.96936	0.5
519.58722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0765
Annotation	Isocaproic acid
Peak:m/z	Relative Intensity
52.51741	0.3
59.01395	0.3
62.80033	0.4
63.31604	0.3
64.32648	0.3
71.01367	0.5
89.01480	0.5
101.29575	0.4
105.33169	0.4
113.77350	0.4
114.93403	1.9
115.07648	100.0
116.02522	0.9
116.07982	0.6
126.78124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
102.62525	71.4
105.02660	71.7
125.38914	74.2
202.72209	79.7
327.56760	88.3
348.94910	100.0
600.88733	88.7
619.83325	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01898	46.2
61.77243	1.9
67.01905	44.3
67.52525	2.1
78.95918	3.1
83.01390	100.0
111.00880	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.6184
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.2
83.01383	2.3
83.05023	0.5
92.10770	0.2
93.03451	5.9
97.02954	0.1
107.01392	9.8
108.02195	0.3
108.99313	0.1
109.02988	0.1
117.03450	0.1
119.05021	28.8
120.05369	0.1
121.02973	0.4
123.00898	0.1
125.02448	1.0
131.01385	0.3
133.02927	0.1
135.00935	0.1
136.01678	0.4
137.02499	0.1
141.78395	0.1
143.05020	0.2
145.02945	0.6
149.02466	0.2
151.00381	37.1
152.00745	0.1
161.06136	0.2
164.01158	0.6
165.01938	1.7
169.01437	2.1
175.00369	1.3
177.01947	5.4
179.03482	0.1
181.06523	0.1
185.06015	0.6
187.03981	0.4
193.01414	0.9
196.00186	0.2
203.07263	0.1
205.01413	0.1
207.14983	0.1
218.44672	0.0
219.03020	0.2
224.17795	0.1
225.16061	0.6
227.07143	0.7
228.70227	0.1
229.05080	0.3
253.05042	0.3
268.03802	0.1
269.04480	0.3
270.05045	0.1
271.06149	100.0
272.06433	1.4
283.06210	0.1
283.50641	0.1
285.07727	0.1
295.06290	0.7
309.21994	0.1
313.07300	1.2
343.08438	0.1
367.27301	0.1
431.09961	0.1
432.10403	0.1
433.11444	5.4
433.31479	0.1
450.34497	0.1
451.32904	0.5
659.48712	0.1
677.49811	5.1
678.50073	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	1101.71
Annotation	Unknow
Peak:m/z	Relative Intensity
76.73845	0.1
77.89330	0.2
78.95891	3.5
80.96535	0.2
85.23816	0.1
95.73373	0.2
104.46278	0.2
106.06705	0.2
124.77269	0.2
130.50032	0.2
152.99597	1.5
168.04352	1.5
191.68193	0.2
224.06989	1.1
239.80064	0.2
242.07983	2.2
281.24884	100.0
282.25198	1.2
420.20743	0.2
436.38635	0.2
506.32550	46.2
507.32767	0.2
521.29126	0.2
580.36456	2.3
1072.32434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
80.59991	0.1
107.94413	0.1
113.02487	0.2
121.02934	2.5
125.96456	0.1
135.04581	0.5
135.45483	0.1
136.54527	0.1
145.03012	0.6
147.04555	1.1
159.04585	0.7
159.37807	0.1
160.05379	0.5
161.04630	0.5
161.06129	0.1
163.04041	0.2
175.07652	0.6
177.05525	0.2
192.07985	0.5
212.04785	0.2
221.06798	0.2
224.04869	0.5
224.06894	0.1
238.06610	0.2
239.07242	0.2
239.10812	0.2
240.04384	0.9
241.08717	0.2
243.10393	0.2
251.07196	0.6
253.08688	0.5
254.05815	0.5
255.10297	2.3
263.07144	0.2
265.08679	0.2
266.05945	0.6
267.10086	0.2
269.08237	22.3
270.08542	0.2
270.12711	0.6
271.09827	1.0
281.08221	3.3
282.08801	0.3
283.09802	8.4
284.10275	0.2
294.09009	0.7
295.09747	1.2
296.10648	1.2
297.11249	0.5
298.08667	0.2
298.12164	1.2
299.09302	15.4
309.11389	0.8
310.08691	0.2
310.12088	0.8
311.09314	20.6
312.09711	0.6
313.11057	1.0
314.11661	29.2
315.12076	0.6
325.10843	3.5
326.11649	21.4
327.12198	0.7
328.12589	0.2
329.13995	100.0
330.14279	2.2
339.12589	0.2
341.13986	53.1
342.14310	1.1
359.15070	12.1
399.76465	0.2
521.20367	2.1
581.22534	4.5
927.84198	0.1
930.12427	0.2
974.04425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	1.2
84.67577	1.1
92.66386	1.3
93.03490	1.5
104.86359	1.3
109.02981	5.9
121.02950	12.6
122.03802	1.4
123.04482	1.5
135.04510	2.8
137.02443	1.4
145.02988	7.6
148.05319	2.0
150.03191	1.4
158.03699	2.4
159.04527	4.5
162.03217	1.6
173.06099	1.7
177.05547	1.1
183.04445	2.6
185.05980	1.9
192.87215	1.4
225.05551	1.8
237.05573	1.6
239.07109	2.8
240.04317	2.0
241.04933	2.2
249.05649	2.3
251.07048	5.0
253.05138	2.5
254.05775	1.5
255.06625	5.3
256.07617	1.3
257.08215	1.3
261.05618	2.8
262.06601	1.5
263.07236	5.2
265.05103	2.8
265.08994	1.6
266.05911	2.1
267.06635	40.0
268.07477	11.5
269.08194	5.7
271.09750	4.9
274.06534	1.7
275.07159	5.2
276.07925	1.4
277.05151	2.4
277.08395	1.8
278.05853	5.3
279.06656	15.4
279.09335	1.5
280.07437	5.1
281.04599	7.6
281.08212	10.3
282.05585	4.4
282.08926	26.8
283.06570	1.7
283.09781	8.1
289.08450	1.4
291.06680	12.2
292.07462	6.8
293.08130	10.9
294.08936	12.1
295.09488	2.6
296.06992	16.0
296.10214	2.2
297.07733	19.6
297.11349	57.7
303.06732	9.1
304.07407	2.5
305.08209	5.2
306.08990	2.3
307.09860	6.8
308.10638	2.3
309.11426	16.7
311.09387	13.6
311.12784	1.8
312.09805	1.8
317.08374	2.2
319.09738	5.9
320.10590	1.8
321.11337	5.1
322.12033	6.6
323.12845	10.3
327.12421	9.9
334.12125	8.4
337.10800	2.5
337.14484	1.7
339.12454	5.2
340.13187	2.0
349.14420	2.3
351.12473	1.7
352.13293	1.5
355.15561	1.8
441.13235	1.6
455.15030	2.5
467.14584	2.2
470.17291	2.3
501.19281	5.8
513.19379	4.6
559.14093	1.5
572.18658	1.7
573.19141	1.7
574.16150	2.8
577.18762	1.8
589.18738	19.2
592.21735	8.3
601.19043	11.8
604.21167	45.9
607.23547	36.5
608.24268	1.4
616.21082	22.0
619.23505	79.3
620.23572	2.6
622.21973	2.8
631.23682	16.2
637.24677	11.7
649.24451	9.4
655.25720	11.3
664.22992	4.7
667.25543	54.0
679.25580	43.7
685.26660	34.3
697.26642	39.1
715.27533	21.8
799.30164	5.7
811.29419	2.3
829.31512	2.8
847.31946	100.0
848.32404	2.2
859.31934	35.3
877.32880	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6777
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	4.7
79.15811	0.2
83.99509	0.3
93.33524	0.3
104.20807	0.3
122.18471	0.3
147.84450	0.3
152.99617	1.2
168.04303	1.6
205.41678	0.4
224.06947	0.6
242.07990	2.2
271.40958	0.4
279.23325	100.0
280.23697	1.4
504.31055	50.9
505.31271	0.7
519.27533	0.5
562.80060	0.4
578.34845	2.3
579.28149	0.6
630.37970	0.3
771.70203	0.3
782.32550	0.3
817.58008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
80.19460	1.2
80.95170	1.2
83.01388	2.2
85.02981	3.1
87.96786	1.3
93.03472	1.6
93.47265	1.5
101.02467	2.8
108.02196	1.4
113.02450	3.2
119.05010	1.7
121.02937	15.9
123.04549	5.4
125.02388	2.1
134.03775	2.5
135.04530	2.5
136.01694	1.3
137.25279	1.5
145.02980	2.8
147.04526	5.4
149.06151	1.5
151.00406	1.7
151.03989	1.6
177.05568	2.6
179.06934	1.5
193.04985	2.1
194.05725	1.6
195.06607	10.6
209.08177	7.7
232.89079	1.3
237.05493	1.8
237.07544	4.7
240.04172	1.8
240.45844	1.5
255.06718	2.3
267.06641	14.4
267.09836	1.6
268.07312	2.7
269.08218	53.9
279.06604	1.5
280.07529	3.0
281.08093	11.8
282.08926	2.7
283.09784	41.1
284.10425	6.5
294.08737	1.7
295.06589	1.7
295.09735	8.4
296.10361	2.3
297.11249	3.1
299.09167	13.3
299.12549	2.9
309.07599	1.7
310.08597	2.4
311.05667	1.5
311.09296	43.2
311.12695	3.0
312.09698	2.2
314.11688	20.8
322.08627	1.7
323.09409	3.0
324.09872	1.5
325.07257	2.8
325.10812	12.8
326.11624	11.7
328.09503	9.3
329.13959	24.1
337.10712	2.5
339.12180	2.2
340.09503	21.7
341.10223	5.7
341.13947	9.6
343.11902	100.0
354.11404	1.7
355.11880	61.1
357.13257	2.3
367.12021	2.2
369.13443	1.7
373.12897	2.1
375.14627	5.5
384.12140	7.4
385.13022	8.7
397.12943	5.8
399.14578	3.1
415.13953	2.1
427.13959	14.4
441.15213	2.0
487.16171	49.9
499.16342	17.8
517.17365	24.5
519.18677	3.0
535.18243	3.3
577.19080	1.6
594.93256	1.6
847.31909	35.2
859.32037	10.4
876.47302	1.5
877.32422	11.3
992.50739	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	1085.7511
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02950	0.8
87.00881	1.1
89.02448	0.9
92.10047	0.6
101.02447	3.1
145.05074	0.8
161.04611	1.3
163.11310	1.5
165.12776	2.7
176.22699	0.7
182.78270	0.6
197.11781	0.7
216.71495	0.6
220.12401	0.7
235.08192	5.2
247.20728	4.9
253.09288	7.9
273.18784	0.8
277.21732	100.0
278.22003	1.4
279.23318	15.0
291.19659	35.5
309.20734	40.0
340.01474	0.6
513.30688	1.1
517.21484	0.8
601.17249	0.7
876.90881	0.8
924.92316	0.8
1036.06384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.6189
Annotation	Unknow
Peak:m/z	Relative Intensity
76.57509	0.4
78.95899	45.7
96.96956	6.7
137.41525	0.3
145.55789	0.5
150.98024	2.6
152.99590	100.0
171.00641	3.6
279.23306	1.4
291.33844	0.4
343.49954	0.4
401.06223	0.4
401.10782	0.4
433.23666	33.3
434.24530	0.5
556.97522	0.4
564.93811	0.4
682.12488	0.5
919.80786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	48.0
92.22874	0.3
96.96943	6.3
118.25043	0.4
127.99792	0.4
128.62102	0.3
150.98012	3.0
152.99588	100.0
171.00636	3.8
204.78090	0.4
209.59642	0.5
253.28589	0.5
279.23221	1.5
290.55746	0.4
433.23630	33.1
496.85046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
81.04565	1.4
81.52594	1.3
82.02998	3.1
86.02483	7.9
87.05647	2.9
97.04097	2.4
99.05631	23.1
100.00440	2.1
101.07234	3.5
102.05604	2.6
102.98430	1.5
107.06168	2.4
109.04082	6.3
125.03541	2.0
127.05088	3.0
128.03529	63.6
131.06775	1.3
135.05653	8.2
136.14787	1.6
137.07114	1.8
143.04626	82.2
146.04608	7.0
153.06693	3.7
166.09828	5.7
167.04617	2.1
167.08252	2.3
179.04620	18.9
181.06216	2.5
185.05627	1.8
210.08827	16.1
214.33733	1.7
254.07875	16.4
256.11584	1.7
272.08902	60.9
277.21774	22.6
291.19849	3.0
325.18628	2.1
342.04144	1.7
362.33737	1.6
654.80585	1.9
821.48840	2.3
965.54492	3.5
1076.57227	12.2
1094.58496	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	1094.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02988	2.1
86.02478	11.1
86.06088	2.6
87.05630	3.4
92.10796	2.4
95.04560	1.8
97.04080	3.7
99.05620	27.6
101.07185	3.9
102.05575	4.7
109.04077	10.0
111.61589	1.7
123.05695	2.7
125.03545	3.0
127.05130	3.2
128.03520	63.1
135.05655	3.6
141.06738	3.2
143.04628	85.8
145.06181	2.7
146.04611	8.0
152.99591	2.0
153.06676	3.9
159.02716	2.2
163.89891	1.9
166.09804	3.3
167.04573	4.4
167.08235	2.6
179.04651	17.6
181.06198	3.5
210.07069	2.0
210.08827	17.6
224.85757	1.9
254.07899	21.6
272.08923	53.1
277.21719	7.1
291.19748	3.5
293.21396	2.7
325.18466	8.4
908.48547	2.5
965.54669	8.7
1076.57434	11.9
1094.58386	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	1079.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	0.9
92.10117	0.3
93.03450	9.1
96.33608	0.1
102.95295	0.1
103.48312	0.1
107.01379	1.8
110.36604	0.1
117.03461	27.4
118.03849	0.2
119.21446	0.1
125.02438	16.0
126.02791	0.1
127.05498	1.1
128.03706	0.2
135.04507	1.7
137.02438	0.3
150.99158	0.2
151.00366	5.5
155.05009	1.2
157.06573	2.1
159.03191	0.3
159.04518	9.1
161.02443	5.8
161.03589	0.2
179.05031	2.8
180.05835	0.3
181.06593	24.1
183.04495	6.0
193.06584	0.7
199.03943	0.1
199.07675	0.3
201.05568	0.2
203.03522	3.9
205.06615	0.8
207.04527	8.3
207.06483	0.3
209.02441	0.8
211.07695	0.7
221.06088	0.3
222.03120	0.3
223.04050	6.9
223.07468	1.8
224.04698	0.1
225.05589	59.1
226.05917	0.6
231.04424	0.3
247.04034	2.2
248.04890	0.2
249.05583	16.8
250.02776	0.2
251.03511	61.4
252.03741	1.0
265.05045	1.9
267.06647	22.1
269.04556	0.5
273.09232	0.2
275.03531	11.2
276.04050	0.3
277.01456	0.3
289.08664	0.2
291.03134	0.3
291.06653	0.6
293.04587	35.2
294.05115	0.3
299.10876	0.2
301.08716	2.0
309.04019	0.2
310.04398	0.2
319.02524	11.1
319.09796	0.9
320.03125	0.3
332.06552	0.2
333.07849	1.4
343.09909	0.9
353.98123	0.1
361.07190	0.3
369.07727	0.8
375.04800	0.3
375.09128	0.3
376.05444	0.6
377.06625	1.2
385.07404	0.2
387.08777	48.0
388.09143	0.8
413.06705	61.1
414.07144	1.1
495.10873	0.3
537.08319	0.7
538.08789	1.0
539.09900	100.0
540.10248	2.2
549.92303	0.1
599.41791	0.1
651.79187	0.2
727.91669	0.1
799.63446	0.1
1077.99487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
121.30742	2.0
139.49744	2.0
154.98552	2.0
247.81857	1.8
269.08231	3.2
283.09933	3.3
299.09079	2.7
311.09351	4.6
314.11685	8.0
326.11740	7.9
329.13928	26.1
341.13950	13.9
354.20102	2.2
359.14783	3.8
382.50031	2.2
557.17950	100.0
660.86041	2.5
721.71991	2.2
1073.24219	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	1049.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
81.81827	0.5
83.01383	6.4
93.03461	6.3
107.01389	13.5
117.95615	0.5
119.05018	36.5
121.02942	0.8
125.02448	2.1
137.02478	0.8
140.05075	0.6
140.88588	0.5
145.02963	2.6
151.00375	51.5
152.35632	0.6
161.06122	0.7
165.01978	1.0
167.03540	0.6
169.01454	2.3
175.00369	1.3
175.07671	0.7
177.01958	5.2
187.03998	2.0
190.06444	1.0
193.01408	1.1
227.07059	1.9
245.06601	2.1
271.06146	100.0
272.06546	0.6
295.06311	1.2
313.06982	0.7
327.16013	13.1
346.76077	0.5
433.11322	2.5
475.12491	2.6
489.21552	0.9
531.22504	0.7
580.72473	0.6
912.62238	0.7
1033.16553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16520	0.2
52.76215	0.2
56.31075	0.2
58.94188	0.2
59.01386	20.3
59.98502	0.2
72.99306	52.3
75.00871	33.9
75.01505	0.4
76.01226	0.3
78.48782	0.2
78.82129	0.2
82.40816	0.3
91.40302	0.3
96.78607	0.2
103.00346	1.1
103.03431	0.3
103.11581	0.3
104.73567	0.3
105.01936	100.0
105.86681	0.3
106.02277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
50.16520	0.2
52.76215	0.2
56.31075	0.2
58.94188	0.2
59.01386	20.3
59.98502	0.2
72.99306	52.3
75.00871	33.9
75.01505	0.4
76.01226	0.3
78.48782	0.2
78.82129	0.2
82.40816	0.3
91.40302	0.3
96.78607	0.2
103.00346	1.1
103.03431	0.3
103.11581	0.3
104.73567	0.3
105.01936	100.0
105.86681	0.3
106.02277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02464	22.7
81.04593	1.7
82.03002	2.8
84.07117	1.5
86.02499	8.3
87.05637	6.6
92.65200	1.7
97.04072	2.2
99.05638	26.6
100.15175	1.6
101.07207	7.9
102.05610	3.9
109.04073	8.8
109.07742	2.0
111.05637	2.3
112.08805	1.6
123.05664	2.2
125.03548	3.3
127.05106	3.0
128.03540	78.2
135.05678	7.9
137.07231	2.3
141.06633	2.4
143.04643	100.0
145.06206	2.2
146.04594	10.4
153.06717	6.2
166.09778	5.4
167.04678	7.1
167.08295	2.6
168.11421	1.7
179.04620	17.5
181.06145	2.0
184.10918	2.4
198.38469	2.1
209.13545	1.5
210.08875	19.1
211.51596	1.7
213.57240	1.4
215.10269	2.0
228.00731	1.8
230.43549	1.9
242.98433	1.9
254.07826	24.4
272.08896	69.8
277.21793	24.9
297.15485	1.8
316.61179	1.6
341.43069	1.8
387.25320	1.9
630.05981	1.9
736.87390	2.3
793.46136	2.2
847.00134	1.8
937.50867	7.4
1048.53650	16.0
1066.55481	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.585
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	16.8
72.99284	1.2
73.02951	2.5
75.00878	1.2
80.37110	1.2
83.01393	1.9
85.02995	2.6
87.00883	2.1
89.02438	18.6
97.02952	6.1
101.02428	18.1
113.02457	7.7
119.03528	2.5
125.02468	7.0
143.03545	2.2
161.04488	2.3
163.11316	5.4
165.12842	5.3
179.05614	2.1
183.13899	1.8
194.24338	1.3
221.06831	1.6
223.13527	2.0
235.08257	3.2
247.20708	5.4
273.18701	1.7
277.21729	57.5
291.16989	1.4
291.19675	68.8
309.20758	100.0
379.12296	2.6
397.13550	52.9
415.14618	12.3
449.58365	1.8
675.35510	1.7
689.34247	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	1043.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
79.19942	0.1
85.02954	0.3
85.31411	0.1
93.03466	0.2
101.02454	0.2
109.02957	0.9
113.02483	0.1
116.77098	0.1
121.02946	4.8
121.39319	0.1
123.04547	0.2
135.04533	1.0
136.01671	2.1
136.21162	0.1
137.02499	0.3
145.02986	1.0
147.04509	1.9
150.03215	0.6
151.04021	3.7
158.03735	0.2
159.04504	2.5
160.05321	2.6
161.04655	0.2
161.06099	0.8
163.04053	0.9
164.04765	0.9
172.05299	0.1
173.06116	0.6
174.06868	0.1
175.07664	2.5
177.05643	1.1
178.06375	0.8
179.07104	0.2
180.07895	0.1
191.07204	0.2
192.07993	0.9
193.08681	0.3
195.04474	0.2
196.05295	0.2
210.06845	0.2
212.04790	0.3
222.06781	0.2
223.07614	0.2
223.09772	0.5
223.88776	0.1
224.04842	0.5
224.06905	0.5
225.09424	0.2
227.10754	0.2
229.60352	0.1
235.61601	0.1
237.05536	0.2
238.06326	0.6
239.07150	0.2
239.10799	0.6
240.04318	1.7
241.08652	1.0
243.10226	0.2
251.07138	0.8
252.04306	0.2
253.04979	0.2
253.08728	0.7
254.05927	0.9
254.09349	0.2
255.10266	2.9
263.07153	0.3
265.08817	0.3
266.05856	0.9
267.10260	0.2
268.07394	0.3
269.08218	33.4
270.05527	0.2
270.08438	0.4
270.12610	0.5
271.09756	2.2
280.07306	0.2
281.08212	6.7
282.08951	0.6
283.09778	13.1
284.10452	0.2
285.11295	0.1
286.04767	0.3
294.08975	0.8
295.09766	2.1
296.10510	2.5
297.08124	0.1
297.11392	0.8
298.08646	0.3
298.12009	2.2
299.09286	23.8
300.09839	0.2
309.11383	0.7
310.08627	0.3
310.12152	0.9
311.09317	31.3
311.12799	2.1
312.09683	0.7
313.10925	1.0
314.11642	45.8
315.11862	0.7
325.10855	4.8
326.11633	24.1
327.12051	0.3
329.13980	100.0
330.14279	1.3
341.13965	44.2
342.14151	0.3
348.24121	0.1
359.15060	10.0
521.20343	1.1
583.74249	0.2
716.06989	0.1
961.93115	0.2
1055.95544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	14.3
73.02969	1.6
85.02940	3.1
87.00884	5.4
89.02443	14.3
97.02947	1.4
97.60685	1.1
101.02470	10.5
113.02455	8.5
119.03501	5.2
125.02387	2.4
148.24397	1.2
161.04539	2.7
165.12828	3.3
179.05655	2.3
179.14398	1.9
197.11774	1.4
209.11908	2.2
235.08272	1.4
247.20654	8.3
248.21022	1.5
273.18561	2.4
277.21741	47.4
291.19690	86.1
305.09100	1.3
309.20755	100.0
379.12497	2.7
397.13522	28.0
415.14771	9.8
449.06781	1.5
689.35150	1.6
693.29681	1.8
752.08594	1.6
854.59442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	2.1
69.07045	5.2
70.06594	1.5
71.04979	1.7
73.02898	1.3
73.29366	0.8
74.00642	2.3
76.02200	4.5
79.05471	18.0
80.04990	5.8
81.03395	4.4
81.07041	37.9
82.06579	1.3
83.04974	2.0
83.06072	4.5
83.08608	6.6
84.04478	7.6
85.01136	1.6
85.02884	13.3
91.03951	3.5
91.05453	18.3
93.07023	19.5
94.06548	1.8
95.04957	6.0
95.08575	10.9
97.01108	1.6
97.02860	8.7
97.06499	1.7
99.01405	6.7
99.04444	2.3
99.08111	1.5
100.02190	7.5
102.05542	1.3
103.05466	1.5
105.07023	19.2
106.06529	1.9
107.04952	4.0
107.08588	13.0
108.04480	1.8
109.02888	1.4
109.06533	12.1
109.10133	5.9
111.02612	1.9
111.08075	1.4
112.02168	15.0
113.02945	3.8
113.04246	1.3
114.03757	16.1
116.01665	5.7
116.06208	0.9
117.06975	6.2
119.08572	16.3
120.08099	2.4
121.06473	4.1
121.10114	9.3
122.03599	1.5
122.09601	1.1
123.02617	1.3
123.08040	4.1
123.11691	3.8
125.09637	1.3
126.03710	6.8
127.03903	5.5
129.06633	6.5
130.05011	2.4
131.04892	1.2
131.08542	9.8
132.08043	1.2
133.06429	1.6
133.10106	10.1
134.05977	1.5
134.09648	1.3
135.08080	1.2
135.11604	4.0
136.03947	4.1
137.04262	1.7
137.05002	1.9
137.05963	44.9
137.09575	1.7
138.03717	6.9
139.03233	1.8
140.01596	1.2
140.05258	10.2
142.03166	4.3
143.08521	1.4
144.01135	1.4
145.02840	1.8
145.06117	1.8
145.10118	9.0
147.11707	8.3
149.09532	1.7
149.13237	2.3
151.05650	1.4
152.05257	6.0
153.06616	1.8
154.06761	2.3
157.10141	1.7
159.11681	3.8
161.09631	1.4
161.13191	1.0
162.02196	2.4
163.07578	1.3
163.11133	4.5
163.14806	3.8
164.06955	1.2
165.12717	1.7
166.06853	1.1
168.08386	36.1
171.11632	3.8
173.13193	8.7
175.11127	2.3
175.14851	4.3
177.05507	2.0
179.08922	1.1
181.06107	3.6
183.11678	0.9
185.03789	10.2
187.05438	1.9
189.12802	1.1
191.14308	2.3
199.07042	1.0
202.04007	1.7
216.05594	5.1
231.04332	19.1
233.05962	4.2
236.14635	5.8
241.06396	1.8
243.04167	1.0
253.08415	1.7
255.07928	7.8
256.08670	1.3
263.13638	1.3
264.14130	25.4
269.09595	4.3
270.10315	17.7
271.11011	5.4
275.20010	12.8
281.14285	1.0
282.15137	10.9
284.18411	1.3
289.16110	1.3
307.17197	1.3
310.20245	1.3
315.45627	1.0
325.15634	1.3
327.83511	1.0
332.20325	4.9
333.18735	1.1
338.17899	13.2
339.17267	2.3
349.23541	5.4
350.21454	4.0
355.18024	8.1
356.18829	48.4
379.18735	1.0
385.17908	3.8
407.23077	2.1
424.25049	5.9
431.84570	1.0
442.25824	1.7
457.02267	1.1
458.20746	21.9
459.21707	1.5
466.21243	1.2
470.25919	1.1
507.24866	1.7
509.26788	5.7
527.27802	92.8
581.28284	3.8
593.28613	4.9
599.29895	11.1
638.30939	5.5
656.32013	21.1
674.33075	100.0
675.33252	1.3
689.32849	7.6
716.34265	1.4
752.33069	1.8
793.40210	1.1
818.36151	1.5
836.38477	34.0
998.42175	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	101.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47905	0.1
55.01886	0.4
57.03453	100.0
58.00592	0.1
58.03792	0.5
58.87164	0.1
59.01383	1.0
71.01374	0.6
73.02948	1.6
73.20527	0.1
75.12679	0.1
83.01389	1.3
85.47509	0.1
86.00098	0.5
99.92574	0.4
100.96018	0.2
101.02438	10.7
102.05623	0.1
109.90581	0.1
115.92068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0244
Annotation	Acetoacetate
Peak:m/z	Relative Intensity
55.01883	0.4
57.03453	100.0
58.03798	0.7
59.01384	1.1
66.56773	0.1
71.01380	0.7
73.02944	1.8
78.56431	0.1
81.11643	0.1
83.01386	1.1
86.00076	0.3
99.92616	0.1
100.94595	0.4
100.96018	0.5
101.02437	11.4
103.88890	0.1
115.92094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.2
69.07079	0.6
73.02905	3.3
79.05486	2.9
81.03401	1.0
81.07056	2.3
85.02895	5.9
91.03951	3.5
91.05455	0.9
92.09386	1.9
93.07056	3.3
95.04948	0.7
95.08601	2.0
97.02871	6.4
101.02357	0.8
105.07027	0.9
107.08642	0.7
109.10142	0.7
119.08611	0.7
127.03941	1.1
133.10248	0.6
135.11745	0.7
145.10173	0.7
164.55983	0.5
180.13765	0.5
185.04207	0.7
187.90616	0.5
226.48512	0.5
243.08444	2.0
333.20538	2.1
347.09494	2.1
405.13559	6.4
411.22446	0.6
472.60831	0.5
519.29504	6.3
551.28455	4.5
681.34662	8.0
713.33392	3.3
829.50153	0.9
991.55804	100.0
992.55927	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	992.6514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	6.2
69.07065	24.6
71.08628	24.5
79.05480	34.2
81.03407	3.2
81.07042	58.6
83.04954	7.2
83.08621	17.6
85.02901	6.6
85.10175	15.2
85.29290	3.1
91.05465	32.5
92.09407	6.3
93.07023	40.5
95.08591	42.8
97.02865	6.5
97.06515	11.3
97.10129	6.5
105.07018	28.4
107.04894	3.9
107.08596	25.5
109.10155	7.4
111.11655	3.4
117.07003	13.6
119.08577	18.3
121.10150	6.7
123.08044	3.9
123.11686	5.1
127.03858	3.1
129.07013	3.5
131.08490	11.4
133.10127	17.2
135.11720	12.4
145.10156	6.5
147.11652	6.0
149.09633	5.7
149.13167	2.8
157.10179	3.6
159.11687	6.2
163.11104	3.6
171.11642	4.0
195.13885	3.7
212.14078	2.9
219.55971	3.0
248.43687	3.3
255.15796	11.6
257.18991	5.5
267.26895	3.2
269.17517	27.3
274.73575	3.3
275.20050	16.1
282.21964	3.1
320.97757	3.2
331.22150	2.8
341.30441	89.1
349.23691	25.0
424.55978	3.0
435.33707	3.1
493.18021	3.5
521.41547	21.3
535.43512	100.0
575.46332	4.6
615.49829	47.9
633.50250	16.7
667.23737	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	990.6355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	6.6
69.07056	22.5
71.08623	13.4
79.05481	17.7
81.03401	3.2
81.07032	21.9
83.04972	1.7
83.08603	11.9
85.10165	9.4
86.04362	1.5
87.96790	1.6
91.05457	14.3
93.07025	12.3
95.04946	8.8
95.08594	22.8
97.02862	8.3
97.10155	16.4
105.07018	9.7
107.04931	6.8
107.08578	11.0
109.10141	10.0
117.06991	3.5
119.08549	8.2
125.09604	3.8
131.08574	2.7
133.10104	2.6
135.08093	1.7
145.10123	8.1
147.08028	3.5
223.13210	18.9
227.12608	1.8
273.18503	9.3
291.19479	80.3
291.22745	2.8
341.30444	48.7
365.23206	45.3
469.46735	1.9
551.42975	2.8
613.48376	2.4
631.49170	100.0
633.84601	2.0
654.59131	1.8
689.93365	2.0
961.07306	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	991.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92029	0.4
69.03419	3.1
73.02902	3.2
79.05487	2.2
81.03426	1.5
81.07059	2.5
83.08620	0.8
85.02888	4.2
91.03969	1.6
91.05482	1.8
92.63615	0.4
93.07044	1.7
94.14171	0.4
95.04951	0.8
95.08584	0.8
97.02881	3.3
98.93000	0.4
99.04436	0.6
101.02384	0.7
105.07046	0.8
107.08593	1.7
109.02892	0.5
109.10197	0.5
111.08070	0.4
116.68470	0.4
119.08605	0.7
121.10165	0.6
133.10129	0.7
135.11626	0.4
147.11740	0.4
149.09520	0.6
163.11223	0.4
167.33006	0.4
179.44087	0.4
203.05328	0.6
237.56430	0.4
243.08426	2.2
252.32881	0.4
323.70007	0.5
333.20700	0.5
335.25882	0.5
347.09604	2.5
363.09091	0.5
365.10797	0.9
389.22931	0.5
405.13675	7.5
406.56122	0.4
519.29327	4.1
551.28412	6.6
606.69104	0.4
681.34222	5.1
713.33118	5.4
829.50421	0.9
915.94440	0.5
991.55835	100.0
992.56268	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	1.3
69.07076	1.0
73.02909	4.0
74.07150	0.5
79.05472	3.1
81.03412	1.2
81.07057	3.9
81.18293	0.5
85.02882	4.6
86.56753	0.6
91.03960	3.6
91.05495	2.5
93.07053	2.7
95.08614	2.7
97.02852	5.8
99.04444	0.8
101.02391	0.9
102.48036	0.6
105.07057	0.7
107.08598	1.2
109.02947	0.5
109.10190	0.6
121.10110	1.2
123.11641	0.6
127.03941	1.3
128.19043	0.5
131.08565	0.7
133.10161	0.6
135.44778	0.6
161.32890	0.5
243.08438	2.6
250.09773	0.6
333.20502	2.3
347.09573	3.4
363.09003	1.0
405.13528	8.8
519.29395	5.9
551.28314	4.3
681.34473	9.1
707.66638	0.6
713.33832	2.6
720.73541	0.7
829.50836	1.2
991.55798	100.0
992.55646	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	988.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	26.8
71.04971	3.4
73.02890	2.7
79.05477	40.7
81.07041	100.0
83.04974	4.2
83.08601	15.3
85.02874	7.6
85.06487	2.9
91.03906	3.3
91.05458	32.4
92.08678	10.2
93.07033	37.7
95.04945	13.2
95.08583	49.3
97.06512	5.1
97.10142	5.2
105.07023	32.1
107.04958	5.4
107.08571	20.3
109.06504	27.0
109.10142	19.8
117.07008	5.3
119.08601	25.3
121.06482	3.1
121.10137	15.6
123.08054	4.3
123.11698	11.8
129.06993	3.4
131.08559	13.5
133.10097	15.1
134.69786	2.1
135.07976	2.6
135.11713	8.5
141.06979	2.4
143.08492	2.5
145.10135	11.4
147.11688	12.6
149.09668	3.3
149.13231	4.3
159.11688	3.1
161.13208	2.1
163.11197	3.1
163.14902	2.8
165.12798	2.4
173.13258	2.3
175.11098	2.3
179.28549	2.4
211.11931	2.2
270.13458	2.5
275.20087	25.0
291.19504	3.6
293.21014	8.1
306.02884	2.1
337.00256	2.5
337.27307	40.4
349.23602	13.7
367.24759	23.3
611.46667	53.9
629.47656	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	4.2
69.07050	4.2
70.07659	0.9
73.02915	2.1
75.15606	0.9
77.10869	0.7
78.54675	1.1
79.05479	6.9
81.03378	1.1
81.07031	10.2
85.02898	4.0
85.60479	0.8
91.03966	1.1
91.05478	4.8
93.07053	5.9
95.08608	4.6
97.02872	3.9
97.47620	0.8
101.02368	1.2
105.07043	4.0
105.39330	0.9
107.08598	3.9
109.10141	3.6
117.06999	1.8
119.08553	1.3
121.10170	2.1
127.03959	1.7
131.08559	2.1
133.10112	1.4
135.11690	1.2
145.10117	0.9
147.11653	1.4
149.13329	0.9
223.13475	1.0
243.08403	1.8
291.19775	1.5
335.25916	1.9
341.42465	1.1
347.09512	1.6
351.84137	0.9
405.13394	6.6
519.29529	4.3
529.38953	3.8
530.39459	1.3
549.26660	4.9
612.46509	1.9
681.34601	1.5
711.31757	4.7
988.57898	1.7
989.54205	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	989.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.3
69.05438	0.6
69.07063	1.7
71.01349	0.7
72.45933	0.6
73.02901	3.4
79.05482	6.6
81.03425	1.5
81.07037	10.3
83.08585	1.2
85.02899	4.7
90.05165	0.7
91.03934	1.1
91.05470	4.8
91.32200	0.7
93.07017	6.3
95.04964	1.1
95.08571	6.7
97.02866	5.4
97.10170	1.5
101.02377	1.6
105.07053	3.0
107.08597	4.4
109.10153	4.9
117.07008	1.6
119.08623	1.2
121.10162	3.2
122.10461	0.7
127.03967	0.8
131.08548	0.8
133.10120	1.2
135.11638	1.1
145.10101	0.9
145.67964	0.7
189.92714	0.7
227.12796	0.9
243.08475	1.2
245.87639	0.7
322.32053	0.8
331.18842	0.9
335.25714	5.0
336.26385	1.1
347.09622	1.5
405.13553	9.2
519.29138	7.2
529.38885	1.0
549.26843	3.2
611.46783	4.3
612.47119	3.7
681.34277	8.0
711.31702	1.3
783.33270	0.9
989.54236	100.0
990.54834	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	986.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	3.9
69.07054	18.3
71.04971	3.9
73.02890	2.2
78.71564	0.7
79.05478	54.2
80.10663	0.6
81.03407	6.8
81.07042	57.3
83.04974	10.5
83.08614	20.7
85.02908	8.8
85.06516	1.3
91.03935	3.2
91.04888	1.3
91.05466	36.0
93.07027	59.5
95.04952	49.3
95.08588	44.6
96.52885	0.7
97.02865	4.0
97.06537	5.5
97.10155	10.7
99.04450	4.6
99.08074	1.1
103.05463	0.8
105.04526	1.1
105.07021	32.9
107.04936	8.9
107.08587	35.3
109.06496	7.0
109.10148	19.9
111.04434	8.1
111.08057	4.1
115.05435	1.3
115.98118	0.6
117.06993	12.2
119.08571	24.3
119.19474	0.7
121.06486	4.1
121.10127	25.5
123.08031	5.8
123.11641	4.6
125.09602	5.5
129.06985	4.0
131.08549	19.2
133.10114	17.9
135.08051	4.4
135.11685	14.8
137.09573	3.3
139.11151	1.1
141.06993	1.0
142.07742	0.7
143.08556	3.7
145.06473	0.9
145.10118	18.4
147.08000	2.9
147.11667	12.8
149.09615	19.0
149.13260	3.8
151.11270	1.8
153.12695	1.0
155.08531	2.5
157.10117	2.8
159.11649	9.4
161.09557	0.9
161.13231	4.6
163.05922	0.8
163.11166	21.6
163.14847	1.4
165.12756	1.2
169.10086	1.1
171.11624	3.2
173.11781	1.1
173.13252	6.2
175.11197	1.2
175.14755	1.2
175.85008	0.6
177.12750	3.2
183.11617	1.1
185.13251	1.0
187.11186	2.8
187.14824	1.5
189.11156	3.0
189.12726	0.9
193.12228	0.9
197.13258	1.5
199.14848	1.0
205.12372	1.1
223.13246	15.9
229.19450	2.5
239.17841	2.2
239.52307	0.7
247.20415	0.8
257.18958	3.6
261.17999	0.7
261.22073	5.1
275.17065	0.9
275.20035	27.4
293.21078	13.7
317.24619	0.9
335.25757	82.8
349.23615	9.4
367.24768	23.5
515.37573	0.7
529.38940	3.0
609.45062	26.8
627.46130	100.0
628.46124	2.5
645.46710	2.9
987.55255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	2.8
69.07056	17.9
69.07376	0.5
71.04977	3.0
73.02901	3.6
79.05478	46.2
81.03426	4.5
81.07042	100.0
82.80016	0.5
83.04952	5.7
83.08598	9.7
85.02890	8.8
85.06524	2.1
91.03936	3.0
91.05463	35.2
92.09281	0.8
93.07027	46.4
95.04943	10.8
95.08589	36.6
95.19155	0.5
97.02869	4.1
97.06512	7.9
97.10160	2.5
99.04424	0.8
99.08061	1.1
103.05472	0.8
105.04505	0.8
105.07021	30.6
106.17850	0.5
107.04943	8.6
107.08578	25.5
107.09312	1.2
109.06506	20.6
109.10143	15.4
111.08081	3.6
113.46004	0.5
113.52575	0.5
117.07014	9.2
119.08562	24.3
121.06484	3.4
121.10130	19.8
123.08064	6.1
123.11680	9.3
125.09589	0.9
127.03948	2.1
128.06172	0.5
129.05489	0.6
129.06970	3.9
131.08551	17.4
133.06490	1.0
133.10118	17.1
135.08035	3.4
135.11676	10.0
137.09584	3.7
141.06989	1.1
142.07831	0.9
143.08510	2.4
145.04994	0.6
145.06589	0.6
145.10106	11.8
147.11662	18.0
147.12743	0.9
149.09608	6.1
149.13248	7.9
151.10089	0.5
151.11198	3.2
155.08531	1.0
157.10129	4.7
159.11687	9.8
161.09633	0.7
161.13213	4.8
163.11194	5.8
163.14819	2.3
165.12744	3.7
169.10168	0.7
171.11690	2.3
173.09644	0.7
173.13269	5.3
175.11197	2.4
175.14803	0.9
177.12727	1.1
183.11707	1.1
185.13194	0.8
187.14784	1.3
193.12326	0.8
213.16405	0.7
229.19440	1.1
233.15303	0.6
239.17899	2.3
243.21092	0.9
247.20572	2.2
257.18948	2.8
259.20566	0.6
261.22058	4.5
267.15698	0.8
275.20007	36.2
276.20770	0.6
293.17819	0.6
293.21066	12.6
298.21161	0.6
299.96152	0.6
317.24643	1.3
335.25757	53.3
336.26077	0.8
349.23706	19.1
352.95724	0.6
365.23318	0.6
367.24750	38.2
378.14844	0.5
378.20428	0.6
517.39996	0.5
522.62756	0.6
535.41296	1.2
553.42383	2.1
609.45056	51.6
610.45490	1.3
626.45300	0.9
627.46088	81.4
628.46216	2.1
645.46454	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	986.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	3.9
69.07058	26.4
76.55865	3.1
76.56262	2.8
76.90186	2.8
77.18080	2.8
79.05492	22.1
81.03415	3.8
81.07043	43.7
81.25547	3.1
83.04967	2.8
83.08598	17.1
85.02888	4.2
91.03889	2.9
91.05466	22.3
93.07053	23.2
95.04955	6.4
95.08573	29.2
97.02901	7.2
97.10148	18.7
105.07021	16.6
107.04938	4.8
107.08578	17.3
109.10164	15.5
115.01714	2.9
117.06961	4.7
119.08599	7.5
119.20821	3.2
121.10152	6.9
125.09622	6.3
131.08577	6.2
133.10143	4.1
171.11754	3.2
223.13329	15.1
249.14839	3.6
273.18335	7.0
291.19501	77.5
315.14963	3.3
325.05167	3.7
337.27286	43.9
365.23077	54.5
499.05054	3.2
540.16742	4.0
619.52991	4.0
627.46167	100.0
734.39661	3.6
990.89447	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	986.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	5.6
69.07057	24.2
71.04994	4.5
71.08624	0.8
73.02902	2.6
77.03887	1.1
79.05475	67.4
81.03393	7.1
81.07040	68.5
83.04976	9.9
83.08608	24.9
85.02889	10.8
85.06519	3.6
91.03944	3.8
91.05463	47.9
92.09360	1.2
93.07024	66.2
95.04321	1.0
95.04947	54.8
95.08585	55.1
95.31136	0.6
97.02862	5.1
97.06518	10.5
97.10153	13.2
99.04446	5.0
99.08043	1.2
105.04522	1.4
105.07014	45.8
107.04940	11.2
107.08579	49.3
108.08897	0.6
109.06512	7.1
109.10143	21.2
111.04424	8.3
111.08080	6.8
115.05446	1.2
115.39120	0.6
117.07005	16.0
119.08559	30.8
121.06485	5.8
121.10116	27.4
123.08015	6.5
123.11680	6.3
125.09631	8.4
127.03912	1.3
129.06972	7.2
130.07767	1.3
131.08539	23.8
133.06436	1.1
133.10103	25.4
135.08038	6.6
135.11688	16.7
137.09598	3.4
139.11197	1.1
141.06908	1.1
142.07790	0.7
143.08540	6.6
145.06471	1.3
145.10109	26.0
147.08051	4.5
147.11653	14.6
149.09598	24.3
149.10710	1.1
149.13223	5.6
151.11174	2.4
153.09126	1.0
153.12782	2.4
154.07684	0.8
155.08531	3.2
157.10103	3.8
159.08005	0.9
159.11671	15.7
159.12935	0.7
161.09590	1.4
161.13252	7.4
163.11147	22.1
163.14818	1.4
165.12718	1.1
169.10106	4.0
171.11673	3.2
173.09680	0.7
173.11897	1.2
173.13210	6.9
175.11156	1.1
175.14764	2.5
176.43320	0.7
177.12717	4.3
179.14235	1.4
181.12180	1.1
183.11699	3.1
185.13213	1.2
187.11116	3.5
187.14816	3.5
189.11208	5.7
189.12677	1.1
191.14352	0.6
193.12192	1.2
197.13315	1.5
199.14825	0.8
201.12671	0.9
205.12213	2.7
213.16475	1.1
215.18022	1.1
223.13252	21.4
227.12825	3.4
229.14297	0.8
229.19452	1.4
239.17935	4.8
243.21088	1.1
247.20557	2.7
257.18967	7.8
261.22083	6.4
269.17285	1.2
275.20004	44.7
277.21710	0.8
279.52402	0.7
293.21057	20.8
311.22626	0.8
331.22787	1.0
335.25745	74.5
336.26083	1.1
349.23672	25.0
351.25488	0.9
363.70251	0.7
367.24725	40.0
489.35849	0.8
505.35043	1.2
515.36737	0.8
529.38849	3.6
553.41968	0.7
609.45044	50.2
610.44781	1.1
627.46106	100.0
628.46082	3.2
634.99713	0.8
645.47021	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	984.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	20.9
77.03947	4.0
79.05466	61.0
81.03421	6.6
81.07043	86.5
83.04939	6.7
91.05451	56.7
93.07021	61.2
95.04964	9.2
95.08582	31.3
97.06496	4.5
104.67017	4.6
105.07013	55.8
107.08582	44.9
109.06461	6.6
109.10138	48.3
117.07008	8.8
119.08627	6.4
121.10147	22.3
131.08582	21.7
133.06458	5.4
133.10132	61.4
135.11690	6.6
143.08501	5.5
145.10144	9.4
151.11172	23.5
159.11671	4.1
193.61951	4.5
253.14384	54.7
273.18320	7.4
291.19650	8.9
291.44434	5.9
335.25674	57.9
348.43631	5.0
365.23239	25.6
373.23944	5.1
531.36499	23.0
607.43146	5.5
625.44672	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	984.588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	3.2
69.07053	20.7
71.04987	3.1
72.74146	2.1
79.05475	56.1
81.03380	4.1
81.07036	72.8
83.04967	12.8
83.08586	10.1
85.02905	4.5
85.06520	3.9
91.05459	60.2
93.07027	57.3
95.04953	15.1
95.08598	43.0
97.02916	3.2
97.06496	3.5
105.07012	50.4
107.04954	9.4
107.08583	45.4
109.06511	4.4
109.10153	46.1
111.08067	3.8
116.06209	2.3
117.07005	5.2
117.99000	2.3
119.08548	20.4
121.06506	4.8
121.10120	19.1
123.07989	3.3
123.11683	3.7
129.07025	2.9
131.08549	13.0
133.06474	5.3
133.10109	56.1
135.08023	3.8
135.11681	10.3
142.62326	2.4
145.10114	5.5
147.08054	4.0
147.11705	3.8
149.13208	2.9
151.11172	23.0
159.11690	3.0
161.09618	4.7
161.13268	5.0
217.14233	2.4
253.14296	62.3
259.20740	2.5
261.22083	4.7
273.18417	15.3
291.19397	14.3
335.25760	61.3
365.23062	20.2
513.35950	3.3
531.36884	32.9
607.43109	11.2
625.44513	100.0
754.48785	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	984.5883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	10.7
69.07051	29.1
71.04957	1.3
73.02909	1.0
79.05473	47.6
81.03392	6.2
81.07036	42.5
83.04957	5.2
83.08600	10.5
85.02882	5.1
91.03912	4.3
91.05460	32.6
92.08631	2.2
93.07018	43.0
95.04942	12.6
95.08585	30.9
96.08875	1.0
97.02856	11.8
97.06510	3.9
97.10143	15.9
99.08031	1.0
105.07008	24.4
107.04922	6.0
107.08573	23.9
109.06479	3.9
109.10148	17.1
111.08080	2.1
115.05415	1.3
117.06998	10.2
117.17028	0.9
119.04923	1.1
119.08563	18.1
121.06464	4.8
121.10101	15.9
123.08016	3.8
123.11654	1.3
123.65714	0.9
125.09572	10.0
128.06232	1.3
129.06973	2.5
131.08543	11.6
133.06432	5.1
133.10077	9.4
134.07143	1.3
135.08054	1.7
135.11639	7.8
137.09596	2.5
143.08513	4.8
145.10091	11.4
147.08015	6.4
147.11668	6.6
149.09621	1.7
149.13235	5.5
157.10098	2.1
159.11650	5.1
161.09531	1.8
161.13181	1.9
163.11169	1.3
173.13196	2.2
175.11140	2.5
175.14836	1.0
177.12840	1.2
185.13281	1.5
189.11133	1.3
205.12212	2.0
223.13252	24.7
227.12796	3.8
245.18893	1.4
249.14836	4.4
261.22043	5.5
273.18530	10.8
275.19949	1.1
278.49335	1.0
291.19485	100.0
313.27380	1.2
332.13245	1.1
335.25711	60.6
347.21872	2.1
365.23126	60.0
388.74188	1.1
399.65961	1.1
404.88962	1.4
525.43048	1.2
545.37933	3.9
562.79797	1.2
607.42975	2.4
624.49335	1.3
625.44464	90.6
626.44165	2.4
883.05511	1.2
984.54950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5882
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	10.4
69.07050	24.7
71.04955	1.6
73.02887	1.1
74.97928	0.7
77.03879	0.7
79.05473	38.1
80.94454	0.9
81.03403	4.7
81.07034	41.8
83.04963	4.8
83.08599	9.3
85.02880	5.6
85.06525	1.2
87.03210	0.9
91.03957	1.5
91.05453	25.3
93.07019	36.9
95.04935	9.3
95.08579	28.8
97.02863	10.7
97.06529	1.2
97.10146	7.6
99.70880	0.8
103.05513	1.1
105.04478	1.3
105.07018	20.0
107.04939	7.5
107.08570	20.7
109.06499	3.9
109.10139	14.2
111.08095	0.9
117.06994	10.6
119.08558	15.8
121.06501	3.6
121.10104	13.6
123.08060	3.3
123.11683	1.7
125.09584	7.4
129.07007	2.0
131.08530	11.4
133.06471	1.9
133.10100	9.5
134.07242	1.5
135.08066	2.0
135.11627	7.0
137.09630	1.2
142.07774	0.9
143.08545	3.6
145.06468	0.9
145.10074	9.5
147.08035	4.5
147.11650	5.5
149.09595	1.6
149.13255	4.6
157.10130	1.5
159.08067	0.9
159.11667	5.2
161.09605	1.8
161.13211	1.6
163.14813	1.2
173.13275	1.9
177.12776	1.5
189.11208	3.8
205.12195	1.4
223.13286	16.7
227.12688	1.8
243.20973	1.0
249.14830	1.8
261.22012	4.2
273.18430	6.0
291.19473	68.3
317.25049	1.2
335.25735	51.2
345.61838	1.0
347.22235	1.1
365.18640	1.4
365.23157	33.0
392.50635	0.8
527.37103	1.3
545.38220	4.5
548.47925	1.0
607.43066	1.1
625.44513	100.0
626.44531	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	982.63
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	15.1
71.05013	1.9
71.08611	25.9
71.15356	1.7
73.02899	2.0
79.05468	28.2
81.06606	3.2
81.07044	59.3
81.41750	2.2
83.04934	3.9
83.08617	20.6
85.02895	4.5
85.10155	13.3
89.05981	2.2
91.03920	3.3
91.05457	28.9
91.15691	2.0
93.07016	27.4
95.04913	4.5
95.08586	36.1
97.02837	3.4
97.06500	5.1
97.10139	10.6
105.07024	19.5
107.04963	5.0
107.08578	28.0
109.10147	52.0
109.68395	1.8
111.08109	2.6
117.07008	9.4
119.08566	29.6
121.10113	9.2
123.08000	2.2
123.11674	4.4
125.09592	11.2
131.08533	12.4
133.10072	13.6
135.11664	4.1
137.13202	2.0
145.10083	8.2
147.11650	4.2
149.09608	3.4
149.13249	3.4
157.10068	3.0
158.83270	2.5
159.08057	9.3
159.11679	10.7
163.11121	3.2
169.10225	2.0
173.11722	14.2
173.64439	2.2
189.11209	4.2
227.12758	10.1
229.14317	35.4
257.18594	3.0
257.24643	2.5
258.16455	2.2
269.17346	17.3
275.19919	19.4
310.74905	2.0
313.27322	100.0
335.25534	3.6
349.23724	19.5
352.91071	2.4
367.24719	14.2
467.37274	42.3
507.40314	49.8
587.46643	43.3
605.47546	29.9
623.42719	15.3
882.68127	2.5
894.46509	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	970.6092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	2.7
69.07056	23.0
71.04980	2.6
73.02900	3.8
79.05475	82.1
79.05909	4.3
81.03394	4.0
81.07040	83.2
82.20605	2.0
83.04946	2.7
83.08601	11.7
85.02888	18.9
85.06525	2.1
91.03941	12.3
91.05460	82.4
93.07022	100.0
95.04937	13.0
95.08586	68.3
97.02873	8.8
97.10162	3.4
105.07014	80.5
107.08578	50.7
109.06473	2.1
109.10135	32.0
111.08076	2.7
115.05460	3.4
117.06982	27.8
119.08549	57.8
121.10114	37.7
123.08062	2.1
123.11681	3.6
129.06979	15.1
131.08553	34.4
133.10103	36.9
134.88338	2.1
135.11662	22.4
137.09625	2.6
143.08577	15.6
145.04961	4.0
145.10083	26.3
146.17941	2.1
147.11679	30.6
149.13258	10.5
157.10139	14.2
159.11668	24.6
161.13258	18.4
163.11110	2.4
163.14761	3.0
169.10068	2.5
171.11655	13.7
173.13252	14.0
175.14699	7.5
177.12747	3.0
183.11757	3.5
185.13255	5.0
187.14798	4.2
198.84921	2.6
199.14854	4.4
241.19559	18.0
243.21126	3.0
255.25064	2.3
257.19003	3.4
259.20544	42.4
261.22150	9.6
333.24213	32.5
335.25763	63.0
337.27441	3.3
341.37558	2.6
352.57739	2.4
447.10739	2.2
489.35635	3.6
593.45123	13.5
605.26123	2.4
611.46527	90.8
612.79907	2.5
656.21100	2.3
719.48889	3.4
755.50867	2.8
851.73779	2.6
970.57379	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	980.615
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	6.5
69.07054	23.4
71.08305	1.5
71.08625	22.7
75.20975	1.5
75.39558	1.4
79.05478	43.3
81.03415	11.9
81.03811	1.4
81.07041	78.2
83.04975	12.9
83.08608	22.9
85.02898	13.5
85.06530	2.0
85.10201	12.6
91.03928	3.2
91.05461	28.5
93.07037	24.6
95.04952	21.8
95.08587	36.7
97.02843	2.5
97.06491	9.4
97.10155	34.2
99.04436	3.1
105.07018	22.2
106.58934	1.5
107.04967	12.9
107.08574	25.6
109.06490	10.4
109.10128	18.0
111.04430	18.1
111.08063	8.8
117.07003	10.2
119.08558	26.5
121.06460	9.7
121.10136	12.6
122.53821	1.6
123.08051	27.5
123.11675	3.1
125.09620	25.1
129.06972	6.8
131.08537	15.1
133.06470	3.3
133.10092	10.1
135.08041	10.3
135.11740	13.6
137.09605	7.5
143.08493	4.0
145.06445	2.4
145.10086	21.0
146.33542	1.6
147.07996	13.8
147.11644	6.3
149.09569	8.8
151.11214	2.3
153.09061	2.3
153.12727	5.8
157.10124	6.4
159.07990	2.9
159.11635	7.1
161.09584	10.1
163.11150	21.8
165.09035	3.2
171.11668	3.3
175.11118	2.8
177.12718	2.7
181.12222	7.8
185.13286	2.0
189.11183	14.1
191.10675	2.7
193.12221	3.9
205.46397	1.7
212.16650	1.6
223.13271	2.9
227.04509	1.6
227.12740	18.1
245.18951	5.8
255.17375	2.9
257.24722	2.0
273.18506	33.4
283.15390	2.6
291.19507	68.0
309.20474	9.5
313.23715	3.7
313.27344	86.2
347.22040	7.7
365.23181	40.4
383.24222	25.4
539.39313	7.0
585.44611	9.2
603.46161	92.0
604.46582	2.3
621.47229	100.0
622.47083	2.1
654.11224	1.8
657.57678	2.1
781.32068	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5752
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.1
69.03425	3.2
69.07059	0.9
70.03151	0.5
71.04969	0.6
71.08620	1.0
71.46990	0.5
73.02907	2.3
76.83908	0.5
79.05483	1.2
81.03410	0.9
81.07062	2.8
83.08596	0.9
85.02891	4.6
86.54321	0.5
91.03944	3.2
91.05455	2.1
93.07037	2.6
95.08585	1.2
97.02893	4.7
99.04476	0.7
105.07018	1.2
107.08584	0.7
119.08559	1.0
127.03941	1.1
131.08652	0.8
133.10155	0.6
151.41365	0.6
163.11104	0.7
243.08461	2.2
275.20148	0.7
297.08560	0.7
347.09586	1.3
365.10681	0.8
405.13510	4.9
497.30676	5.1
551.28271	7.3
659.35791	4.8
713.33649	4.6
969.57422	100.0
970.57312	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	969.5969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34068	3.2
118.45718	3.3
121.61932	3.6
123.74918	3.8
128.98502	3.7
241.11061	15.3
257.80280	3.8
259.12085	38.2
286.59146	3.6
298.10941	3.8
331.15234	5.3
349.16846	46.7
367.17841	79.7
385.18869	6.6
423.31836	3.8
659.38263	100.0
663.96631	3.8
759.57867	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	970.609
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	29.2
71.25208	2.4
73.02882	4.7
73.42296	2.6
75.75769	2.8
77.62747	2.6
79.05470	89.2
81.07034	86.3
82.33778	2.5
82.97126	2.4
83.08613	13.1
85.02885	19.8
91.03931	7.3
91.05457	93.6
91.87658	2.9
93.07021	100.0
95.04932	18.3
95.08584	67.4
97.02857	13.1
97.10123	5.6
100.82044	3.0
105.07008	92.2
107.08570	55.1
109.06499	3.8
109.10163	37.0
115.05407	4.1
117.06995	31.9
119.08568	62.6
121.10126	40.4
123.11693	5.1
125.09623	4.3
129.06982	14.9
131.08568	36.8
133.10091	44.5
135.11635	22.5
143.08539	16.7
145.10091	37.4
147.11661	39.1
149.13225	13.5
157.10124	15.9
159.11633	26.6
161.13208	20.5
166.78818	3.0
171.11665	17.6
173.13185	13.1
175.14780	6.4
185.13295	12.5
197.13274	4.9
199.14821	7.0
241.19429	15.5
256.88824	3.1
257.18652	3.8
259.20532	52.8
261.22110	7.3
267.20941	3.7
310.42676	3.2
315.23117	4.2
333.24258	35.8
335.25735	66.2
449.33618	3.5
465.28934	3.5
489.35605	4.0
593.45264	6.8
611.46564	90.6
842.05994	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	969.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.2
69.03416	1.9
69.22144	0.8
71.08632	1.1
73.02908	3.6
76.56187	0.9
79.05511	0.9
81.03433	1.4
81.07055	2.2
83.08604	1.1
85.02907	7.7
91.03967	4.0
95.08570	1.2
97.02919	5.3
101.02327	1.1
102.39746	0.9
112.03304	1.2
120.37155	1.1
127.03906	1.1
133.10126	1.0
140.53847	0.9
141.63988	0.9
185.04294	1.2
211.17992	0.9
243.08554	1.3
333.20566	2.2
347.09613	1.0
405.13840	6.3
497.30936	6.3
523.94489	1.1
548.89752	1.1
551.28741	4.5
553.47125	0.9
659.36108	10.3
713.33716	5.3
830.98816	1.3
969.57465	100.0
970.58514	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.8
69.03418	2.6
69.07080	1.4
69.82729	0.9
73.02914	2.4
81.03421	1.5
81.07045	5.8
85.02933	4.2
91.03930	2.4
93.07074	1.1
95.08587	1.3
97.02905	5.6
105.07000	1.3
109.06577	1.5
127.03932	1.2
135.59598	1.2
147.11766	1.6
243.08388	1.4
243.15234	1.1
256.04239	1.0
333.20398	1.7
347.09579	2.2
363.09225	1.6
405.13770	7.1
497.30994	4.7
551.28552	6.9
659.36133	6.8
713.33917	5.1
969.57373	100.0
970.57672	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	966.6355
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	41.0
69.03417	4.4
69.07066	6.4
71.08605	36.7
79.05477	24.9
81.03388	11.7
81.04218	2.7
81.07034	52.6
83.04964	5.5
83.08607	16.3
84.83864	2.5
85.02890	14.2
85.10161	13.0
87.59108	3.0
90.30129	2.9
91.05459	16.4
93.07008	27.9
95.04953	4.6
95.08565	35.2
97.02863	4.1
97.06493	3.8
97.10135	6.9
105.07008	4.8
107.08590	6.0
109.10139	12.5
117.07009	6.4
119.08546	4.9
119.42390	2.7
121.10161	4.7
123.11746	3.1
127.25388	2.8
131.08580	6.5
133.10077	3.9
147.11671	3.5
149.13269	4.8
151.11214	5.9
152.18983	2.7
159.11661	4.0
178.32143	2.6
259.64499	3.6
269.17471	5.8
313.27280	69.7
351.25195	11.4
382.14182	3.2
413.21164	3.4
467.36835	3.3
507.32867	4.5
507.40369	100.0
527.82422	3.2
551.61993	3.1
589.21564	3.4
589.48071	30.6
627.41449	3.3
640.14148	3.0
836.97614	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	967.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	6.5
69.03402	3.4
69.07053	4.3
71.08621	4.5
73.02911	4.4
76.95486	1.0
79.05488	1.8
81.03409	1.9
81.07056	6.9
85.02909	5.6
91.03982	2.2
91.05486	1.6
93.07024	2.1
95.08587	5.0
97.02895	5.2
97.10151	2.1
101.02403	1.7
105.07037	1.2
109.10142	1.3
125.09653	1.3
141.91856	1.0
243.08566	1.2
291.19525	1.7
313.27567	4.7
331.18994	1.5
357.15280	1.1
389.46497	1.5
405.13626	9.6
497.31082	6.2
549.26947	4.8
589.48163	2.1
590.49292	1.5
637.79480	1.1
659.36371	7.3
711.31909	5.4
945.53149	1.3
967.55927	100.0
968.56641	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	969.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03926	0.9
67.05491	1.3
69.03410	4.1
71.46011	0.9
73.02905	1.6
79.05485	1.2
81.07053	4.3
83.08616	1.2
85.02913	4.7
91.03948	2.0
91.05502	1.1
93.07004	0.9
97.02893	4.1
105.07011	1.0
110.29221	0.8
119.08544	1.0
127.03884	1.6
151.20576	1.0
243.08533	3.6
290.09579	0.8
347.09534	1.5
405.13751	4.6
497.31082	5.4
551.28265	3.9
659.35883	7.9
679.57629	1.1
713.33441	2.0
807.52637	1.3
878.52802	1.0
969.57349	100.0
970.57788	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01853	3.5
69.03408	19.6
71.04961	3.7
72.06837	1.7
73.02897	9.7
81.03404	30.8
81.07023	1.9
83.04959	7.1
85.02892	74.2
86.59589	1.5
91.05462	7.0
94.50100	2.0
95.04932	3.5
97.02860	23.1
99.04438	46.2
103.03929	32.3
104.46787	1.7
105.07005	6.7
107.04952	4.0
107.08562	6.8
109.02863	62.9
109.06511	2.0
111.66036	1.5
119.04916	10.1
121.02840	7.9
121.06483	10.0
123.04387	7.1
123.08064	2.1
125.02292	2.0
127.03894	94.6
131.04893	2.2
133.10118	9.4
135.04413	3.1
137.05936	8.4
145.02779	3.7
145.04936	17.5
147.04387	38.4
147.11658	3.5
150.38345	1.9
151.03925	6.7
153.01814	98.5
163.03900	3.5
163.06059	2.3
165.01801	10.1
169.04924	4.1
171.02866	70.0
173.13298	1.6
175.14795	2.0
177.01799	18.8
177.05463	3.8
183.02919	6.5
187.03975	3.5
187.06047	9.8
189.01843	2.9
189.05374	2.3
191.03378	12.2
191.14276	10.4
195.02863	100.0
201.02051	1.6
205.04919	2.8
205.06923	1.8
207.02840	4.3
207.88979	2.0
209.04483	2.1
213.04039	1.8
215.03360	11.8
217.01271	2.3
219.02895	35.3
233.04396	3.8
237.03883	8.6
243.02841	7.3
249.04007	2.3
257.04630	2.9
261.03876	42.8
271.08002	9.5
273.04306	2.6
273.07523	61.4
285.03787	8.6
285.07376	2.7
289.09119	7.0
297.07486	17.0
299.05515	2.6
303.04938	7.2
315.08606	26.7
327.04871	8.3
339.08575	16.4
357.09723	2.8
363.08472	3.6
369.05865	3.1
373.10950	2.3
381.09641	24.1
397.11334	2.4
399.10446	3.2
405.09232	3.7
415.12289	11.8
423.10522	3.3
433.13181	7.4
441.11682	4.2
525.13593	8.6
531.11273	2.3
549.13342	3.1
567.13831	2.1
646.14050	2.2
651.16608	11.5
669.18243	12.0
687.18768	10.1
705.19586	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	964.6196
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	28.0
69.03419	4.5
69.07057	18.7
71.04975	2.5
71.08619	19.2
72.29123	0.9
73.02878	2.1
74.29226	1.0
79.05476	24.6
79.63580	1.1
81.03408	4.9
81.06598	2.0
81.07040	38.0
83.04980	8.3
83.08606	24.2
85.02895	8.8
85.10172	11.5
88.64776	1.0
89.06026	1.6
91.03957	1.4
91.05464	25.1
93.07030	30.0
95.04946	44.7
95.08585	31.2
97.02882	1.8
97.06527	2.8
97.10143	13.9
99.04408	2.5
105.07011	23.2
107.04950	6.9
107.08587	25.8
109.06508	6.9
109.10163	14.1
111.04426	7.4
111.08087	2.7
117.06990	7.4
119.08564	16.3
121.06505	2.4
121.10120	12.8
123.08064	2.4
123.11676	5.8
125.09602	9.0
129.06989	1.5
131.08543	11.8
131.42694	1.1
133.10104	15.2
135.08070	4.7
135.11673	8.0
143.08553	2.3
145.10121	16.0
147.08029	2.2
147.11699	7.0
149.09602	19.5
149.13251	1.4
151.11302	1.7
153.12682	2.2
157.10056	1.7
159.11673	8.3
160.23204	1.1
161.09700	1.9
161.13199	1.1
163.11176	17.1
169.10126	1.9
173.09637	1.1
175.11240	1.5
177.12915	1.6
179.10754	1.1
189.11205	5.2
205.12151	1.5
223.13269	15.5
227.12807	4.1
229.19423	1.4
246.10225	1.1
257.18994	2.8
257.24847	1.5
269.17432	1.3
275.20020	36.1
293.21045	18.5
313.27310	69.2
349.23697	19.5
367.24753	34.3
507.40292	6.4
587.46655	33.7
605.47668	100.0
606.47894	2.0
623.48651	4.5
879.48413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6196
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05153	1.6
67.05494	42.6
69.07054	23.6
71.05003	1.2
71.08611	23.2
73.02896	1.4
79.05473	31.2
81.03401	5.8
81.07037	100.0
83.04955	7.9
83.08611	16.8
85.02885	9.7
85.06519	2.0
85.10168	16.3
91.03931	2.9
91.05467	29.1
93.07027	23.1
95.04956	11.0
95.08590	41.9
97.02864	9.1
97.06498	9.7
97.10130	7.0
101.14434	1.5
105.07008	27.4
107.04918	9.3
107.08570	17.8
109.06503	25.6
109.10162	17.6
115.02349	1.4
117.06989	7.8
119.08559	22.5
121.06470	2.6
121.10092	14.3
123.08009	6.6
123.11662	8.6
129.06987	2.5
131.08569	12.2
133.10114	14.6
135.08081	1.7
135.11707	3.5
137.09610	2.5
137.57629	1.4
145.10112	9.8
147.11676	15.2
149.09605	7.1
149.13243	3.4
151.11162	2.1
157.10080	1.9
159.11679	6.4
161.13280	2.5
163.11131	7.5
165.12691	3.0
173.13226	1.9
175.11092	2.8
247.20425	2.4
257.18945	2.0
257.24588	2.5
275.20004	43.0
293.21017	11.3
313.27295	80.1
314.27414	1.9
349.23645	25.8
367.24747	29.7
418.25940	1.5
440.69470	1.6
587.46570	83.0
588.46710	2.9
605.47693	93.5
606.47455	1.7
906.24268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98838	1.4
67.05493	22.5
69.03413	1.7
69.07068	12.2
69.16994	1.6
70.50735	1.3
71.05000	1.4
71.08624	21.5
79.05467	16.2
81.07040	26.4
83.04967	3.9
83.08597	18.3
85.02895	3.3
85.10175	11.9
91.05450	7.9
92.63258	1.9
93.07018	13.9
95.04954	24.6
95.08576	21.8
97.10150	10.8
99.04467	2.1
105.06998	16.2
107.04938	3.9
107.08562	12.8
109.10155	9.5
111.04375	3.5
117.06979	1.9
119.08578	11.7
121.06446	2.6
121.10118	7.7
123.08041	1.6
123.11678	2.3
125.09610	4.0
131.08551	7.5
133.10101	7.9
135.11664	2.9
145.10092	7.8
147.07980	2.1
147.11690	3.7
149.09616	10.6
159.11685	3.4
163.11177	15.3
165.12793	1.9
188.12096	1.8
205.12228	2.9
223.13365	12.9
257.19028	2.4
257.24866	2.0
263.82663	1.6
275.20032	26.1
293.21091	10.2
301.68326	1.8
313.27322	88.4
349.23679	12.4
367.24786	21.9
507.40598	2.1
587.46503	30.1
605.47717	100.0
606.47803	1.8
748.21832	2.2
963.61005	2.1
964.57922	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	961.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	3.1
69.03423	3.1
73.02893	4.7
75.70028	0.5
79.05470	1.4
81.03403	1.1
81.07040	3.8
85.02885	6.8
91.03969	2.6
91.05461	0.6
93.07059	1.0
95.08601	2.6
97.02863	4.8
101.02382	1.3
107.08594	0.8
109.10159	0.6
115.88071	0.5
121.10149	0.7
127.03951	0.7
139.03175	0.6
179.24396	0.6
185.04214	0.6
243.08478	2.4
250.99023	0.6
328.93457	0.6
347.09546	1.2
365.10535	0.6
377.80435	0.7
389.71954	0.5
405.13577	6.0
519.29120	6.4
521.31042	4.0
551.96631	0.7
597.03027	0.6
681.34314	4.9
683.36505	2.7
729.19263	0.7
799.52649	0.7
961.58429	100.0
962.57996	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	962.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04829	1.5
67.05153	3.6
67.05495	20.1
69.03414	6.5
69.07056	20.8
71.08615	17.1
79.05479	16.7
81.03409	6.3
81.07041	34.2
83.08606	10.7
85.02917	2.6
85.10155	11.5
91.05455	10.0
93.07030	14.7
95.04940	6.0
95.08580	21.9
97.02876	9.1
97.06511	2.1
97.10148	10.7
105.07021	12.7
107.04929	7.1
107.08601	11.6
109.06490	6.9
109.10144	12.9
111.62579	1.4
117.06998	2.9
119.08573	9.4
121.06451	2.6
121.10165	2.9
123.11670	2.2
125.09605	6.3
129.06932	2.2
131.08542	7.4
133.06471	2.5
135.08038	2.0
137.83536	1.4
143.08577	2.1
145.10117	2.7
147.08055	2.4
147.11728	1.9
157.10078	2.2
161.09753	1.8
185.13306	1.7
214.07365	1.6
223.13300	16.9
257.24734	1.5
273.18460	6.6
291.19495	68.9
313.27289	58.5
314.27896	1.7
347.22198	2.5
365.23187	29.0
523.39716	3.5
585.44800	2.9
603.46094	100.0
604.46680	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	962.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05173	4.6
67.05497	27.8
69.03416	11.3
69.06711	1.8
69.07061	29.9
71.04971	1.1
71.08620	23.0
73.02886	1.1
79.05479	21.3
81.03402	4.2
81.07045	29.9
83.04971	2.4
83.08610	16.9
85.02903	6.0
85.10175	11.5
89.06041	1.1
91.03923	2.1
91.05468	13.6
93.07028	16.7
95.01379	1.2
95.04945	9.7
95.08582	22.7
97.02866	14.1
97.06552	1.9
97.10162	16.9
101.92089	1.2
105.07026	15.6
107.04943	6.5
107.08604	10.9
109.06522	1.9
109.10136	11.4
111.08116	1.4
111.82251	1.2
117.07018	5.0
119.08548	10.1
119.09232	0.8
121.06521	2.3
121.10144	1.9
123.08094	2.2
123.11697	1.5
125.09605	8.5
129.07011	2.4
129.63246	1.2
131.08580	7.2
133.06482	1.6
133.10106	4.9
135.08043	1.9
135.11623	1.1
137.09608	4.1
143.08568	4.8
145.10144	5.2
147.08083	7.4
147.11696	1.9
149.09633	1.7
149.13310	1.6
151.11217	1.5
157.10118	2.4
159.11714	5.2
161.09601	2.4
163.11235	1.6
175.11160	3.5
189.11261	1.7
205.12280	1.4
223.13280	24.8
227.12735	1.6
249.14859	4.3
257.24973	1.6
273.18454	12.6
291.19498	96.4
313.27335	58.8
347.22397	1.2
365.23169	54.1
505.38831	1.7
523.39636	6.5
603.46130	100.0
604.46149	1.8
648.29102	1.3
668.31891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.4
69.03418	3.3
71.19367	2.2
73.02940	2.2
75.21962	1.6
75.84149	1.6
83.53096	1.6
85.02901	4.3
91.03972	2.4
92.08686	9.0
97.02908	9.2
106.80286	1.9
124.44376	1.9
127.63071	2.0
147.74060	2.7
405.13748	3.5
519.29333	7.8
559.25983	2.3
671.36499	3.8
681.34717	4.7
766.05975	2.6
822.20947	2.4
949.58447	100.0
950.58307	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	83.7
69.03414	4.4
69.07050	21.3
70.63614	0.7
71.04971	2.7
73.02889	7.5
77.03890	1.0
79.05473	63.2
81.03388	1.7
81.07038	96.0
83.04942	1.7
83.08601	11.0
85.02892	25.0
85.06510	1.4
88.08597	0.7
91.03929	15.7
91.05460	38.3
93.07025	72.5
95.04941	6.4
95.08583	76.4
96.04430	1.0
96.08869	0.8
97.02866	14.3
97.06502	3.4
97.10144	3.8
99.04429	1.3
99.08061	0.8
105.01572	0.7
105.04514	1.1
105.07012	34.1
107.08577	42.7
109.02856	1.0
109.06494	1.2
109.10144	29.1
111.08069	1.2
117.06975	12.0
119.08554	25.4
121.10126	31.2
123.08064	1.6
123.11661	10.3
127.03888	4.2
129.06911	1.7
131.08540	20.1
133.10100	23.7
135.11676	19.5
137.09520	0.8
137.13312	2.4
143.08525	4.2
145.04938	3.9
145.10114	16.8
147.11652	15.7
149.13235	11.3
151.14830	0.8
157.10110	3.4
159.11658	11.5
161.13225	10.1
163.05959	3.7
163.11124	0.8
163.14787	6.6
171.11617	3.5
173.13239	10.0
175.14818	6.0
177.16422	1.1
185.13197	2.8
187.14787	4.6
189.16293	1.2
201.16284	1.3
215.17897	1.1
241.19501	3.4
243.21057	6.9
259.20541	8.8
261.22058	20.8
263.23615	2.9
279.22992	1.4
301.02316	0.9
317.24695	1.7
333.24048	8.0
335.25745	100.0
336.26099	3.5
337.27371	13.4
503.36554	1.0
521.43158	3.8
539.44519	1.5
595.47101	21.8
613.48138	34.8
626.83789	0.8
628.89575	0.8
632.15393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	90.0
69.03423	3.3
69.07051	31.6
69.07404	1.3
71.04977	2.6
71.08628	3.0
73.02913	7.8
79.05474	46.4
81.03419	2.6
81.07037	100.0
82.07365	0.9
83.04961	3.6
83.08598	17.2
83.09085	0.7
85.02893	24.5
85.06533	2.6
87.04453	0.7
91.03932	14.3
91.05460	29.3
93.07026	55.3
95.04958	6.8
95.08584	78.1
97.02873	13.5
97.06511	5.6
97.10161	9.0
99.04414	0.7
99.08057	1.7
105.07010	22.1
105.07667	1.2
107.08578	31.9
109.06522	1.3
109.10143	32.7
111.08075	1.3
111.11736	1.0
117.06995	9.6
119.08560	21.6
121.10126	28.6
123.08064	1.3
123.11674	10.4
127.03902	5.0
129.06981	1.5
131.08551	13.2
133.10109	17.4
135.11676	16.6
135.14958	0.7
136.53679	0.6
137.09619	1.3
137.13226	3.5
143.08568	2.8
144.09222	0.7
145.04967	4.8
145.10120	10.0
147.11671	11.7
149.13226	9.2
151.14853	1.1
157.10118	2.4
159.11671	10.3
161.13203	9.7
163.05983	6.6
163.14812	7.2
165.12686	0.9
171.11699	1.1
173.13271	6.6
175.14783	4.7
177.16437	1.5
185.13257	0.9
187.14772	3.5
189.16374	1.3
199.14816	1.5
201.16422	1.1
213.16429	0.8
241.19650	1.1
243.21001	6.8
245.22668	3.1
254.99675	0.7
259.20505	4.5
261.22098	17.8
263.23645	4.8
301.25098	1.2
317.24713	3.1
333.24100	3.8
335.25745	62.5
336.26047	1.3
337.27316	62.5
338.27664	1.5
339.28812	5.4
358.03070	0.7
439.18665	0.8
503.37164	0.8
523.45172	5.5
541.45898	1.1
597.48718	33.7
598.49365	0.9
615.49689	58.5
616.50024	3.2
627.99719	0.7
759.53009	0.8
894.05988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	5.6
69.03416	6.7
73.02921	4.6
76.56506	1.0
79.05489	6.0
81.03424	1.2
81.07047	2.0
85.02899	7.3
91.03945	1.6
91.05500	3.8
93.07048	2.3
95.08616	3.9
97.02892	4.9
101.02374	3.6
107.08619	1.8
109.10204	1.0
127.03941	1.4
135.11725	1.1
203.05351	2.0
243.08521	1.6
347.09579	1.8
365.19745	1.2
405.13742	7.7
509.03107	1.0
519.29291	13.7
641.40430	1.2
681.34485	13.3
959.56921	100.0
960.57330	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	948.6244
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	59.7
69.07067	29.1
71.04991	5.2
71.08622	35.4
73.02905	8.0
76.56025	3.8
79.05470	56.3
81.07042	69.6
83.08588	22.2
85.02879	18.4
85.10168	18.4
91.03934	18.6
91.05453	68.7
93.07023	58.3
95.04939	3.9
95.08592	71.7
97.02856	16.8
97.10133	6.8
102.76517	3.5
105.07018	83.7
107.08572	36.1
109.06496	5.0
109.10151	20.9
117.07011	19.7
119.08575	62.0
121.10107	17.8
129.06984	15.5
131.08562	32.1
133.10104	64.1
135.11676	19.3
143.08559	9.7
145.10062	33.4
147.11708	43.0
149.09496	4.2
149.13272	6.5
157.10083	6.7
159.11670	17.6
161.13190	32.9
171.11668	19.1
173.13196	7.5
175.14839	7.9
185.13254	8.8
199.14706	4.3
231.21034	4.9
241.19489	21.6
258.39093	4.6
259.20541	87.7
264.51093	3.7
267.80225	3.9
313.27301	96.3
333.24139	50.6
536.10358	4.8
571.46906	30.4
589.48303	100.0
697.50122	4.8
765.96539	4.3
835.91943	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	948.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	3.9
68.99801	0.7
69.03423	5.9
69.07063	3.6
71.04654	1.1
71.04982	14.3
72.81534	0.8
73.02905	1.8
79.05463	4.6
81.03406	9.2
81.07020	5.9
83.04967	1.7
83.08596	4.9
85.02893	15.1
85.06538	6.0
87.40612	0.7
91.03075	0.7
91.05454	8.7
92.08687	1.9
93.07018	14.0
95.04940	4.0
95.08588	16.2
97.02063	0.7
97.02878	6.1
97.06523	10.6
99.04431	10.8
103.03918	7.6
103.05475	0.9
105.07014	16.7
107.04967	0.9
107.08585	23.2
109.02871	21.0
109.06502	6.1
109.10101	1.7
111.08047	7.0
117.06998	1.6
118.88336	0.9
119.04893	3.2
119.08590	9.9
121.06498	1.6
121.10120	30.6
123.07996	6.3
127.03886	27.3
131.08551	11.5
133.10109	100.0
135.04359	1.0
135.08029	10.3
135.11613	1.8
137.02281	1.1
137.05965	3.6
137.09610	1.1
143.08562	3.3
144.09271	1.0
145.04965	6.0
145.10133	5.9
147.04399	10.5
147.11632	9.1
149.09599	1.6
149.13235	14.1
151.03894	1.3
153.01807	20.2
158.10918	6.1
165.01801	4.0
169.04900	0.9
171.02869	14.2
173.13222	21.2
177.01790	3.6
177.05431	1.8
179.03410	8.2
183.02863	4.6
187.06021	1.4
191.03271	2.0
191.14282	21.0
195.02850	14.7
197.04697	0.9
205.04924	3.0
207.02846	11.9
219.02885	4.3
221.04433	1.8
225.03857	3.2
237.03848	1.2
243.02969	1.8
253.06905	1.0
261.03973	6.7
271.08011	2.0
273.07571	16.6
273.10687	1.1
285.04025	1.0
285.07428	1.8
289.09128	1.6
297.07425	1.6
299.09201	1.9
315.08521	6.9
323.09073	1.6
325.14160	6.7
327.08411	6.0
339.08679	1.9
341.10019	1.2
343.15378	3.5
367.15912	0.9
381.09500	3.8
415.12436	3.2
445.20129	17.1
463.21146	21.3
469.19717	1.0
557.69421	0.9
651.17035	1.1
669.17981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.385
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	2.5
69.03410	16.2
71.04962	2.2
73.02898	3.2
79.05489	8.9
81.03405	16.2
81.07049	7.6
82.17522	1.4
83.04974	5.8
85.02896	27.8
87.04404	1.5
91.05472	10.1
93.07027	5.8
95.04949	2.6
97.02878	14.0
99.04431	25.6
103.03924	10.5
105.07017	8.9
107.04943	8.1
107.08575	23.5
109.02860	31.6
109.06501	5.3
109.10148	6.2
117.07049	1.9
119.04938	6.9
119.08534	3.2
121.06485	3.3
121.10140	14.0
122.07263	5.2
123.04414	3.0
127.03905	50.3
129.01826	1.6
131.04906	2.5
131.08577	5.6
133.10106	100.0
135.04572	1.5
135.08029	13.6
137.05998	11.9
137.09590	74.5
145.04950	6.5
147.04401	28.5
147.11700	2.4
149.13235	8.9
151.03877	5.2
153.01807	45.8
161.05940	1.7
163.14783	2.0
165.01807	3.5
169.05019	1.4
171.02847	28.8
173.13222	6.7
177.01726	2.0
177.05421	2.4
179.03319	13.7
183.02895	2.3
187.05983	3.1
191.03413	6.6
191.14281	52.9
191.15910	2.5
195.02847	28.5
205.05017	6.0
207.06529	3.2
207.69893	1.4
209.15356	2.5
215.03467	2.5
219.02773	10.6
243.02852	2.3
261.03851	12.9
271.08148	6.8
273.07520	34.9
289.09088	2.9
297.07629	3.2
315.08511	6.3
339.08688	1.7
351.16251	1.5
363.08392	2.2
381.09738	7.6
405.08673	1.5
415.12317	6.6
423.10593	2.0
433.13129	6.2
451.14352	2.6
463.21008	19.1
468.62601	1.5
472.87961	1.6
487.20721	2.1
544.99597	1.6
553.21289	1.5
651.17145	1.7
763.15186	2.2
948.85400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.6299
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	56.7
69.07052	51.6
71.08609	6.6
73.02882	7.9
79.05476	40.2
81.07043	79.7
83.08597	26.5
85.02864	25.1
91.03931	9.9
91.05447	23.6
93.07033	51.0
95.08599	52.0
97.02850	7.8
97.10130	5.5
105.06996	12.0
107.08577	34.8
109.10162	23.9
119.08587	5.5
121.10121	30.7
131.08517	7.3
133.10136	7.3
135.11696	21.5
145.10104	7.9
147.11609	6.1
149.13248	8.4
159.08095	5.8
163.05988	9.0
243.20802	6.8
261.22046	29.9
263.99826	5.3
325.27310	100.0
335.25693	95.1
585.48657	61.4
599.94708	5.5
603.49585	27.0
743.05560	5.6
743.90222	5.5
810.66193	5.9
932.97217	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	945.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.2
67.67011	1.1
69.03427	1.6
73.02908	2.0
74.80476	1.2
78.06339	1.0
79.05482	2.9
81.07047	2.8
85.02891	5.4
91.03947	5.2
91.05481	1.5
97.02895	5.7
101.02340	1.5
104.66822	1.5
123.10827	1.6
127.03924	2.2
147.61826	1.3
159.82846	1.4
193.09950	1.3
243.08353	1.6
283.21405	1.6
334.94247	1.5
401.12961	1.5
405.13629	5.4
505.27789	2.6
519.29382	6.0
667.32837	3.3
681.34863	7.5
945.55280	100.0
946.55219	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	100.0
67.69841	3.5
68.78937	3.5
69.07054	26.4
78.45047	3.8
79.05477	57.9
79.17519	3.6
81.07037	88.1
83.08601	16.2
84.26505	3.3
84.87422	3.7
85.02904	28.0
91.03929	7.0
91.05456	29.2
93.07015	52.2
95.08583	59.3
97.02863	8.2
97.10165	6.7
105.06996	28.5
105.33458	4.3
107.08563	39.6
107.90070	3.3
109.10149	33.7
119.08538	17.7
121.10133	21.4
123.11678	5.1
131.08578	7.6
133.10103	16.0
135.11711	15.2
137.13223	4.4
145.10091	8.9
147.11719	5.7
148.50607	4.6
149.13252	7.8
159.11636	7.0
161.13219	6.9
261.22046	15.4
267.99991	4.1
300.37946	4.4
321.24298	4.5
323.25739	50.4
325.27411	4.9
335.25751	53.2
469.74783	4.0
583.47144	31.1
601.48376	46.4
602.47748	4.3
610.82526	5.2
870.21033	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	937.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.8
69.03437	1.8
71.08618	1.3
73.02907	2.4
73.16993	1.0
81.07041	2.8
85.02908	5.0
91.03959	4.0
91.05443	1.0
95.08601	1.7
97.02909	5.5
101.02419	1.6
105.07040	1.1
152.86383	1.0
243.08501	1.4
317.41907	1.4
405.13834	6.8
450.63895	1.3
497.31174	1.7
519.29437	6.6
659.36426	5.5
681.34668	7.4
937.58405	100.0
938.58655	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	939.6009
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03396	3.7
71.08634	1.5
73.02913	2.0
73.52213	0.9
78.46587	1.0
81.07050	1.4
85.02908	4.4
91.03951	1.8
92.63776	1.1
95.08586	1.1
97.02898	4.2
109.02882	1.0
128.32535	1.1
132.05255	1.1
147.99509	0.9
217.63400	1.0
217.78474	1.2
347.09628	1.2
405.13681	4.6
497.31085	6.5
520.84668	1.3
521.30975	1.8
650.16632	1.1
659.35577	7.2
683.36438	2.1
939.60016	100.0
940.60638	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	940.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	84.4
67.41981	1.9
67.63603	2.2
68.32886	2.0
68.71450	1.9
69.03423	4.0
69.07068	18.9
70.07715	2.1
70.59551	1.7
71.04951	2.4
72.17525	1.8
73.02895	5.4
75.40926	1.8
79.05476	70.3
81.07041	100.0
82.63545	2.0
83.08620	8.7
85.02904	22.1
87.89401	2.1
91.03938	11.1
91.05473	49.3
93.07022	69.9
95.04948	5.4
95.08591	77.5
95.09209	3.3
97.02878	15.1
97.10167	3.3
103.11267	2.2
105.07030	37.8
107.08590	43.8
109.06502	2.9
109.10134	30.2
114.38281	2.4
117.06997	14.4
118.25067	1.9
119.08582	31.3
121.10114	29.5
123.11720	12.2
129.07005	2.2
131.08554	25.9
133.10129	19.3
135.11693	20.1
145.10109	23.5
147.11693	12.5
149.13246	10.9
157.10135	3.2
159.11719	16.7
161.13235	5.0
163.05974	3.9
163.14873	3.6
173.13239	4.5
185.13211	3.5
218.64653	2.4
245.16316	2.5
247.20522	9.1
259.20691	4.3
261.22092	12.5
297.51294	2.3
319.22479	2.9
321.24158	58.3
323.25690	5.0
333.24240	3.4
335.25769	53.2
337.27277	8.2
362.99014	2.7
460.36194	2.6
507.42258	4.2
542.82227	2.4
581.45715	24.7
599.46649	46.8
717.85815	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	937.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.9
69.03424	1.9
73.02917	2.4
78.77129	1.1
79.05485	1.6
81.03400	1.2
81.07049	2.7
85.02914	5.7
89.82206	1.2
91.03973	2.7
93.07027	2.1
95.08562	2.5
97.02903	5.0
105.07040	1.6
115.19153	1.3
149.83720	1.2
264.94772	1.3
365.10495	1.2
405.13873	6.1
407.59579	1.2
496.39471	1.5
497.31265	1.5
519.29382	6.9
539.97742	1.3
659.36322	1.9
681.34869	6.2
698.76752	1.3
730.26312	1.4
751.97253	1.5
875.64124	1.4
937.58490	100.0
938.58386	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	40.0
69.07047	25.7
79.05482	41.4
81.03399	59.5
81.07040	83.6
83.04960	19.5
83.08612	29.0
85.02911	33.5
91.03904	5.1
91.05457	43.8
93.07024	38.7
95.04950	29.2
95.08614	31.8
97.06505	5.4
97.10187	4.9
105.07028	53.1
107.04957	16.3
107.08604	19.8
109.06490	22.9
109.10150	9.9
109.31253	4.1
109.81995	4.3
114.63799	3.8
117.06923	7.6
119.08547	23.1
120.85917	4.5
121.10104	22.0
123.08037	6.1
123.11703	5.0
125.09571	4.4
129.06964	16.3
131.08517	20.3
133.10091	26.6
137.06012	4.4
143.08475	6.3
145.10083	9.2
147.08034	4.8
147.11708	30.5
149.09605	8.1
157.10081	9.8
159.11632	6.9
163.11171	5.0
173.13246	5.4
175.11137	15.5
193.12181	28.7
211.13304	24.3
245.36092	3.8
267.15796	24.2
275.19977	29.3
285.16858	43.7
349.23651	22.3
350.22656	3.9
367.24710	7.9
396.28113	4.3
445.97034	4.4
541.35028	59.9
559.36279	100.0
577.37207	41.4
779.97803	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	936.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	1.5
67.05148	2.7
67.05496	64.4
69.03405	1.8
69.07062	16.9
71.04961	2.6
73.02901	2.7
79.05474	53.6
81.03400	100.0
81.03880	3.5
81.07043	72.5
83.04967	6.3
83.08607	22.3
85.02884	8.9
85.06496	1.9
86.22410	1.4
86.60884	1.3
91.03915	6.3
91.05465	42.5
93.07027	63.1
95.04956	34.1
95.08583	45.1
97.02865	7.7
97.06497	5.8
97.10129	6.0
99.58217	1.6
101.13390	1.3
103.10596	1.3
104.43197	1.4
105.07018	38.7
107.04926	9.4
107.08585	34.3
109.06477	3.0
109.10137	21.6
111.08048	3.3
111.70427	1.9
115.05391	2.3
117.06998	9.4
119.08569	25.9
121.06473	1.8
121.10139	29.3
123.04404	1.8
123.11689	8.2
125.09586	2.8
129.06963	10.8
131.08539	28.3
133.06497	6.1
133.10107	20.1
135.08025	3.2
135.11671	14.8
137.09680	2.3
142.07751	2.8
143.08533	2.6
145.10138	11.8
147.04402	1.9
147.08011	5.8
147.11673	18.5
149.09599	6.3
149.13222	3.6
157.10136	12.5
159.11653	9.1
161.09550	1.9
161.13234	6.7
163.11162	2.3
163.14758	2.9
165.12802	2.0
173.13206	5.7
175.11140	7.5
183.11632	1.5
187.14700	2.4
189.11139	2.5
193.12224	21.1
209.41479	1.7
227.12813	2.7
227.31909	1.5
229.14339	1.6
243.21097	3.1
249.14809	1.6
259.13245	1.6
261.22040	17.1
267.15875	69.3
301.25336	2.0
309.17068	1.9
335.25729	61.0
421.25748	3.2
435.32260	3.2
453.33493	7.0
471.35165	2.4
509.35660	3.0
527.29749	3.1
527.37238	68.9
528.36835	2.5
545.38281	69.4
546.37958	3.0
559.39532	1.5
569.38177	11.6
587.38977	3.3
609.53497	1.5
623.39020	2.2
635.38684	2.8
653.40448	2.1
858.58832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	5.3
69.03420	5.1
73.02915	4.6
78.42700	0.9
79.05482	4.9
81.03413	1.8
81.07073	5.3
85.02882	7.8
91.03964	2.3
91.05486	1.7
93.07040	6.4
95.04984	1.0
95.08596	3.6
97.02896	5.8
101.02413	0.9
105.07040	1.2
107.08593	2.3
107.33532	1.2
109.02893	1.1
109.10145	1.1
116.53172	0.9
119.08572	1.3
121.10106	1.5
127.03965	1.8
187.62158	1.1
218.20509	1.0
243.08545	1.8
347.09641	3.7
365.10638	1.4
405.13712	8.6
491.26331	6.3
519.29413	4.2
653.31079	7.6
681.34845	3.8
931.53772	100.0
932.54242	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	932.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	1.0
66.86127	0.6
67.05491	57.9
69.03400	3.3
69.07054	18.4
71.04967	1.7
71.08244	1.3
71.08616	27.3
73.02907	7.3
75.04424	0.8
79.05474	36.9
81.03391	1.0
81.07037	62.6
83.08598	13.0
85.02897	22.7
85.06518	1.2
85.10171	15.3
89.06004	1.9
91.03936	14.8
91.05457	17.7
92.09225	0.7
93.07023	44.0
95.04944	1.8
95.08583	58.7
95.97606	0.8
97.02868	11.1
97.06502	1.8
97.10133	6.9
99.04424	1.4
103.07511	0.8
105.07011	15.4
107.08569	26.6
109.06528	1.2
109.10142	25.0
111.08045	1.2
117.06999	4.5
119.08560	10.3
121.10128	19.0
123.11700	10.6
127.03899	3.6
131.08511	11.4
133.10100	9.3
135.11650	13.6
137.13235	3.3
145.04939	4.0
145.10110	9.9
147.11681	6.2
149.13245	7.4
151.14816	1.1
159.11597	5.2
161.13210	4.3
163.05986	7.0
163.14804	4.0
173.13260	4.8
175.14767	1.1
187.14830	1.4
198.14240	0.8
233.22531	1.3
237.96400	0.8
239.23645	3.1
243.21049	7.3
248.34885	0.8
257.24780	1.3
261.22070	37.0
279.23132	0.8
313.27307	100.0
314.27573	1.5
317.24686	4.4
325.22379	0.8
335.25729	83.5
336.26273	0.9
353.27380	0.8
573.48676	59.4
574.49011	0.9
591.49561	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	933.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81364	1.2
66.88202	1.2
67.05502	2.2
69.03416	1.9
73.02904	5.3
73.30096	1.4
79.05505	1.6
81.07042	2.8
85.02899	7.4
91.03941	5.2
91.05488	1.8
93.07040	2.8
95.08597	2.1
97.02890	8.7
101.02355	1.5
127.25547	1.3
130.30409	1.2
134.10571	1.4
168.94270	1.3
196.02562	1.2
347.09509	2.4
405.13623	10.1
428.22443	1.5
493.27786	7.3
519.29291	5.0
655.33221	5.8
681.34875	5.9
933.55304	100.0
934.55719	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	934.6456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	60.4
67.51187	5.4
69.07053	32.5
71.08612	27.7
73.02923	7.8
79.05459	6.5
81.07041	54.2
83.08601	10.2
85.02902	12.8
85.10138	9.2
86.61472	6.0
93.07023	13.7
95.08583	77.5
97.02859	14.0
97.10133	10.4
109.10133	31.1
119.08602	7.2
121.03067	6.6
122.14768	7.2
123.11714	6.9
195.09203	6.3
196.19768	6.9
240.17329	6.3
313.27347	100.0
337.27194	70.9
575.50085	61.5
923.75488	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	935.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.2
69.03427	2.6
69.07077	1.5
71.39440	1.2
73.02905	5.4
79.05485	2.1
81.03413	1.4
81.07035	3.2
85.02901	6.2
91.03949	2.9
93.07015	1.4
95.08611	2.0
97.02901	6.2
105.88469	1.3
225.29674	1.6
243.08377	2.1
302.68979	1.3
337.27170	1.9
347.09387	2.2
405.13766	7.9
493.27921	8.8
588.57153	1.7
655.32971	8.2
683.35217	3.9
864.56537	1.5
875.78674	1.6
889.15424	1.4
929.39008	1.4
935.56805	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	931.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	26.0
69.07073	5.5
71.04990	7.7
73.02903	6.3
78.10879	3.5
79.05467	3.5
81.03407	33.4
85.02898	32.6
85.06500	3.0
85.53647	3.0
91.05460	18.7
93.07025	7.5
95.04961	6.7
95.08574	16.4
97.02874	19.2
99.04437	42.4
103.03935	17.7
103.05402	4.1
105.07017	14.6
105.53381	2.9
107.04917	3.5
107.08568	18.2
109.02862	48.1
109.06490	5.4
109.10151	4.4
119.04897	14.3
119.08549	5.6
121.10153	14.0
123.00854	3.6
123.08034	3.6
127.03905	79.8
129.06967	3.8
131.04956	7.2
131.08539	13.8
133.06514	4.8
133.10114	39.4
135.04366	3.5
135.08066	7.8
137.05943	46.9
138.06334	6.8
145.04933	14.8
145.10118	7.1
147.04382	44.1
147.11665	6.7
153.01845	8.0
161.05939	5.6
163.07501	5.2
165.01778	38.1
173.13286	13.2
175.07571	5.2
177.05479	6.3
179.03354	100.0
179.04845	4.7
183.02855	45.7
187.06049	7.2
191.03343	6.1
191.14223	35.5
197.04433	7.4
203.03410	6.2
205.04959	5.0
207.02893	16.3
221.04480	11.5
225.03883	5.8
231.06425	14.1
233.08005	7.4
243.06395	3.6
255.06473	5.2
255.10144	4.3
269.08014	13.2
273.07632	3.6
273.11157	21.9
285.07584	7.2
285.11063	4.9
299.09088	38.6
325.14307	43.2
327.08524	6.4
343.15378	31.1
367.14990	4.7
445.20190	49.1
463.21008	91.3
487.20639	4.6
571.23193	5.3
722.97375	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	930.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.7
67.05494	94.3
69.03412	2.2
69.07060	41.6
70.80576	1.0
71.04941	1.7
71.08591	1.4
73.02887	8.0
78.46043	1.0
79.05481	34.1
81.07043	100.0
83.04967	2.0
83.08605	23.8
85.02888	26.3
85.06541	2.3
91.03931	15.1
91.05461	26.9
92.08582	1.1
93.07027	36.3
95.04961	1.4
95.08586	80.1
97.02882	13.3
97.06509	6.7
97.10162	9.3
99.08067	5.1
105.07018	19.1
107.08592	21.2
109.06500	1.8
109.10150	29.9
109.20190	1.2
111.08083	1.8
113.09612	1.5
117.06998	2.0
119.08566	17.9
121.10130	22.9
123.08051	1.3
123.11689	13.2
125.13241	1.2
127.03916	5.7
131.08560	7.0
133.10117	12.9
135.11670	19.0
135.27155	1.2
137.13211	5.6
145.04929	2.8
145.10129	5.4
147.11670	8.6
149.13220	7.9
151.14856	1.2
159.11674	4.8
161.13252	6.2
161.21362	1.3
163.05968	2.8
163.10890	1.3
163.14777	2.4
173.13261	1.5
175.14783	5.3
189.16385	4.3
215.17952	1.4
217.19514	6.0
233.18950	4.6
235.20540	5.0
243.20970	1.6
245.22542	1.9
261.22086	5.9
263.23816	4.0
302.49554	1.3
309.24164	51.4
311.25687	13.4
335.25714	12.5
337.27310	51.0
339.28937	5.7
421.43765	1.3
497.43701	4.8
521.56592	1.2
571.47107	44.8
589.48138	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	931.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	26.0
69.07073	5.5
71.04990	7.7
73.02903	6.3
78.10879	3.5
79.05467	3.5
81.03407	33.4
85.02898	32.6
85.06500	3.0
85.53647	3.0
91.05460	18.7
93.07025	7.5
95.04961	6.7
95.08574	16.4
97.02874	19.2
99.04437	42.4
103.03935	17.7
103.05402	4.1
105.07017	14.6
105.53381	2.9
107.04917	3.5
107.08568	18.2
109.02862	48.1
109.06490	5.4
109.10151	4.4
119.04897	14.3
119.08549	5.6
121.10153	14.0
123.00854	3.6
123.08034	3.6
127.03905	79.8
129.06967	3.8
131.04956	7.2
131.08539	13.8
133.06514	4.8
133.10114	39.4
135.04366	3.5
135.08066	7.8
137.05943	46.9
138.06334	6.8
145.04933	14.8
145.10118	7.1
147.04382	44.1
147.11665	6.7
153.01845	8.0
161.05939	5.6
163.07501	5.2
165.01778	38.1
173.13286	13.2
175.07571	5.2
177.05479	6.3
179.03354	100.0
179.04845	4.7
183.02855	45.7
187.06049	7.2
191.03343	6.1
191.14223	35.5
197.04433	7.4
203.03410	6.2
205.04959	5.0
207.02893	16.3
221.04480	11.5
225.03883	5.8
231.06425	14.1
233.08005	7.4
243.06395	3.6
255.06473	5.2
255.10144	4.3
269.08014	13.2
273.07632	3.6
273.11157	21.9
285.07584	7.2
285.11063	4.9
299.09088	38.6
325.14307	43.2
327.08524	6.4
343.15378	31.1
367.14990	4.7
445.20190	49.1
463.21008	91.3
487.20639	4.6
571.23193	5.3
722.97375	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	925.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	5.8
69.03434	2.8
71.04992	1.8
73.02918	2.3
79.05495	2.6
81.03415	1.4
81.07053	7.9
83.41901	1.3
85.02913	7.1
91.03973	3.3
91.05508	2.6
93.07043	5.7
95.08602	3.3
97.02879	10.6
105.07056	2.4
106.58944	1.4
107.08630	2.6
107.52036	1.3
120.53297	1.4
127.03859	1.6
144.75383	1.7
257.17609	2.1
286.15823	1.4
347.09482	2.1
405.13861	9.2
485.23853	3.4
519.29541	8.5
570.12634	1.7
644.40094	1.6
647.28668	3.4
681.34314	2.3
925.51172	100.0
926.51727	5.6
950.13910	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	100.0
69.03410	4.6
69.07058	18.6
71.04983	2.1
73.02889	11.1
78.28729	1.1
79.05473	83.2
79.09496	1.0
81.03426	2.5
81.07038	93.3
83.04962	1.7
83.08604	12.5
85.02894	30.1
85.06541	2.5
91.03935	20.5
91.05461	50.2
91.06007	2.1
92.64294	1.2
93.07021	92.6
95.04955	8.8
95.08586	75.6
95.09205	2.1
97.02864	13.1
97.06526	4.3
97.10165	4.7
99.04408	1.9
99.08055	2.0
105.07017	38.8
107.08574	42.6
109.06514	2.0
109.10145	30.3
109.89358	1.1
111.08045	2.2
113.32834	1.2
117.07008	15.2
119.08566	30.8
121.10118	39.7
123.08054	2.0
123.11674	10.5
125.09612	2.1
127.03911	6.3
129.06978	4.9
131.08540	24.0
133.10095	30.4
135.11679	23.5
137.09598	1.8
137.13274	1.8
143.08566	4.2
145.04948	5.7
145.10115	19.7
147.11678	17.0
149.09648	2.2
149.13248	13.8
155.08554	1.3
157.10129	2.4
159.11678	14.6
161.13158	9.7
163.06030	6.0
163.11127	1.4
163.14786	2.0
169.10139	1.5
171.11647	4.8
173.13182	10.4
175.14795	2.4
183.11691	1.2
185.13246	2.5
187.14859	5.5
189.16362	1.6
194.16774	1.1
199.14771	1.6
203.17796	1.2
205.19539	1.2
213.16431	6.3
215.17906	15.1
231.17474	5.1
233.18925	12.1
241.19553	1.8
243.20984	1.6
259.20438	1.7
261.22116	10.4
269.69870	1.0
305.20862	1.6
307.22626	45.4
307.26004	1.9
309.24268	7.5
309.36539	1.1
317.24777	1.3
333.24228	6.3
335.25769	59.1
335.29846	2.2
337.27307	6.5
477.24911	1.3
493.40039	4.3
567.43921	21.4
571.39142	1.3
585.45050	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	928.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	4.3
67.05494	96.7
69.03415	3.0
69.07051	31.6
71.04969	4.8
71.08606	1.8
73.02913	8.9
79.05475	60.4
81.03411	1.8
81.07040	100.0
83.04980	2.1
83.08605	14.7
85.02890	33.8
85.06516	3.1
91.03940	19.1
91.05460	33.8
93.07027	71.8
95.04951	7.5
95.08588	69.6
97.02876	13.6
97.06499	4.9
97.10145	7.1
99.08086	2.9
105.07014	30.0
107.08581	27.5
109.06474	2.0
109.10141	32.1
111.08065	2.7
111.11708	1.6
117.06999	6.5
119.08562	25.4
121.10124	32.4
123.11662	13.2
125.09628	3.2
127.03855	2.4
129.06967	1.9
131.08543	14.3
133.10100	21.9
135.11656	25.0
137.13252	2.2
139.11121	1.4
143.08521	1.3
145.04922	2.8
145.10135	11.8
147.11639	11.4
149.13249	9.4
157.10176	1.9
159.11650	10.7
161.13246	5.2
163.06004	6.3
163.14798	3.0
164.24747	1.4
171.11719	2.4
173.13257	8.2
175.14754	1.7
187.14801	1.7
189.16470	1.8
213.16388	1.8
215.17889	13.4
217.19406	2.2
231.17393	1.7
231.21025	1.4
233.18967	12.8
245.22667	1.4
261.22122	8.6
305.21338	2.1
307.22601	28.3
309.24203	29.0
311.25632	2.0
317.24686	2.4
335.25760	26.8
337.27316	37.1
339.28903	2.0
349.27676	1.5
465.23050	1.5
494.04541	1.6
495.41727	2.7
569.45593	30.7
587.46582	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.0
67.05495	58.4
69.03416	3.4
69.07058	11.7
71.04980	18.9
73.02898	4.4
74.95061	0.7
78.85210	0.8
79.05478	35.3
81.03418	1.0
81.07040	91.3
83.04959	3.8
83.08592	8.5
85.02884	10.1
85.06525	8.2
91.03944	5.1
91.05461	28.2
93.07025	40.9
95.04949	5.2
95.08581	27.5
97.02873	7.9
97.06519	5.0
97.10168	1.8
103.95900	0.7
105.04501	0.9
105.07011	17.5
107.08574	21.5
109.06451	1.3
109.10135	12.9
117.07018	5.9
119.08570	9.6
121.10121	16.4
123.08024	1.4
123.11684	13.3
125.09660	0.9
127.03915	1.3
131.08554	8.6
133.10106	20.6
135.11679	8.9
145.04948	1.2
145.10106	4.7
147.11746	3.1
149.13170	6.0
151.11168	6.3
159.11682	7.4
161.13240	1.3
167.97461	0.9
173.13261	4.1
174.65305	0.7
177.12756	1.4
183.13826	2.0
187.13344	2.9
187.14854	1.2
195.13718	1.1
201.95648	0.9
227.16338	1.1
261.22067	1.9
269.17590	1.8
292.13776	0.9
301.19904	7.9
335.25790	18.5
433.47681	1.0
503.37228	56.6
504.37787	1.3
517.38568	1.6
529.38721	14.9
561.41431	100.0
562.41547	1.7
705.45361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	63.2
67.05855	2.3
69.03418	4.4
69.07056	15.1
71.04979	19.5
73.02906	4.4
79.05479	38.1
81.03404	2.0
81.07041	100.0
83.04980	4.5
83.08622	9.3
85.02888	13.7
85.06531	7.8
91.03942	5.4
91.05466	32.1
93.07024	40.9
95.04951	4.3
95.08595	27.2
97.02900	7.9
97.06514	5.7
103.05434	1.1
105.07017	19.5
106.04870	0.9
107.08585	21.9
109.06543	2.0
109.10152	13.7
111.08051	1.8
116.23565	1.0
117.07005	6.7
119.08552	11.2
121.10128	16.8
123.08048	1.1
123.11694	18.6
129.07036	1.8
131.08553	9.4
133.10117	22.5
133.11053	1.6
135.11691	11.3
141.56050	1.0
143.08594	1.4
145.10135	5.1
147.11705	6.4
149.13257	4.1
151.11157	8.0
157.10072	1.0
159.11649	7.0
161.13266	5.7
169.12263	1.1
171.11635	1.2
171.54918	0.9
173.13225	1.6
177.12755	1.8
187.13234	6.0
187.14832	1.7
195.13884	1.1
211.14922	1.2
227.16216	1.0
257.17465	1.6
269.17438	4.1
301.20004	15.4
322.71542	1.0
335.25668	11.5
370.52521	1.0
437.33804	1.0
485.36371	3.9
503.37213	64.8
504.38083	1.2
511.37582	1.4
517.38385	1.7
529.31274	1.3
529.38879	28.1
561.41467	84.8
859.61829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04984	0.4
69.03407	2.7
70.06595	0.8
71.04998	0.3
80.05014	0.4
81.03400	1.8
82.06077	0.8
82.06567	25.5
83.04967	0.7
83.06089	0.5
84.04490	19.8
84.08123	4.2
92.09386	0.5
96.04472	15.0
97.02874	2.0
98.06037	7.7
99.04440	0.9
100.07603	1.4
101.02296	0.4
102.05529	2.4
108.04479	0.6
109.02883	3.4
110.06024	0.8
114.05522	0.8
116.07082	5.8
124.03922	0.4
126.04555	0.9
126.05489	24.0
127.03899	1.7
128.07057	100.0
129.06604	1.4
130.04990	3.8
138.05478	89.5
144.01848	0.4
144.06541	18.5
145.09679	2.9
147.07672	0.5
150.05463	0.6
152.07004	0.5
153.10202	1.9
165.10187	0.6
168.06526	14.9
169.72948	0.3
173.09184	61.2
176.55070	0.3
186.07588	11.1
188.09067	0.4
191.10217	2.3
193.09737	3.5
193.90164	0.4
199.10751	14.9
204.08615	4.5
211.10713	1.8
227.10210	2.3
230.10091	0.5
238.11963	0.6
239.10234	17.6
241.57825	0.3
244.12958	3.6
257.11185	2.4
258.09677	0.9
262.11307	0.6
262.13937	14.1
266.11212	0.5
282.14261	0.4
284.12277	3.6
285.10788	1.5
301.10962	0.4
301.13901	7.7
302.13406	19.6
328.14804	1.6
329.13425	4.1
373.16995	0.6
391.13312	0.5
391.18121	12.9
414.72940	0.5
445.19189	3.7
476.18564	0.4
496.18817	0.8
532.20721	1.5
534.23871	7.1
612.23566	0.5
630.26196	4.1
701.28992	1.4
719.30829	29.0
720.30078	0.8
860.70508	0.5
922.38794	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	916.7076
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	61.2
68.70976	3.3
69.07052	29.3
79.05466	46.9
81.07043	94.1
83.04940	4.3
83.08622	28.1
85.06566	4.7
91.05470	16.3
92.41794	3.9
93.07022	55.8
95.08590	100.0
97.06506	7.7
97.10158	6.7
105.06996	7.8
107.08572	26.7
109.10160	44.0
110.88525	4.0
111.08070	6.3
119.08528	8.7
121.10140	35.9
123.11655	4.3
131.08539	9.4
133.10126	15.1
135.04395	20.7
135.11653	7.7
142.00264	3.9
142.54115	3.4
145.10080	6.1
147.11687	6.4
149.13240	5.9
159.11690	4.6
233.19032	16.3
251.19958	48.8
269.21063	16.9
386.83298	4.5
485.39664	5.5
501.39130	17.1
503.40723	17.2
519.40393	8.9
521.41656	7.4
537.41095	17.2
595.45135	6.5
753.59918	6.0
771.61255	19.2
789.61700	14.3
845.48956	5.2
845.64233	6.1
863.66241	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	917.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	5.6
69.07055	30.3
71.08623	8.0
79.05465	4.2
81.07050	6.8
83.04971	1.0
83.08602	26.5
85.10169	2.8
93.07021	4.9
95.08588	6.0
97.06507	2.0
97.10146	20.4
97.36317	0.5
98.98447	10.8
107.08584	2.9
109.10146	1.2
111.08094	0.6
111.11720	5.1
121.10122	4.7
125.09612	0.7
125.13265	0.6
125.94333	0.5
135.08374	0.6
135.11690	3.4
149.02454	0.5
149.13231	1.2
155.01054	3.6
163.14781	1.0
173.02036	1.0
182.41791	0.5
193.01527	0.5
237.22115	0.6
250.79617	0.6
254.71808	0.5
311.25739	100.0
312.25983	0.7
337.27301	3.0
413.26840	0.7
447.24753	4.7
455.38596	0.6
467.05325	0.6
541.14386	0.6
542.27979	0.6
704.56232	0.6
816.92487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32834	1.3
65.54031	1.3
69.07065	1.8
73.02904	2.4
79.05514	1.7
81.03414	2.9
81.07020	4.5
85.02919	2.2
91.03963	1.5
91.05475	2.3
93.07048	2.7
95.08614	6.4
97.02878	3.4
109.10130	1.4
119.08542	1.3
131.08611	1.7
133.10101	1.8
140.67435	1.3
193.12216	1.3
212.16765	1.4
222.63004	1.5
227.04121	1.4
243.08490	1.5
283.15247	2.4
321.88641	1.4
405.13721	3.0
497.31052	5.6
501.23093	9.4
659.36157	3.4
663.28601	7.1
757.47742	2.0
919.52222	100.0
920.52289	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	919.6472
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80748	0.6
79.89072	0.6
82.62334	0.5
83.27344	0.6
224.83556	0.6
232.87907	0.6
254.03732	0.7
919.64655	100.0
920.64880	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	916.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58864	2.7
67.05495	87.0
69.03427	3.3
69.07047	18.2
71.08618	33.1
73.02912	5.1
79.05479	36.5
81.03400	6.2
81.07041	57.8
83.04982	5.2
83.08628	25.0
85.02885	33.7
85.10179	20.2
87.89961	2.8
90.37025	3.1
91.03935	7.9
91.05453	16.5
93.07032	23.2
95.04961	7.0
95.08585	39.9
97.02883	12.5
97.10155	33.4
105.07024	6.8
107.08563	16.0
109.06481	3.5
109.10144	56.4
117.07020	4.8
119.08577	13.4
121.10098	5.9
123.11721	4.2
125.09627	17.5
127.03920	4.5
127.69492	3.1
136.39502	3.0
145.05020	4.5
145.10115	4.2
166.49107	4.1
173.11714	6.5
199.13303	6.6
223.13306	6.2
227.12885	6.9
229.14287	33.4
261.22113	3.1
297.16943	4.9
301.16541	28.6
310.19485	3.7
313.27332	100.0
335.25800	6.9
455.37109	16.6
467.37115	27.0
539.39069	22.2
557.38623	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	914.6918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05141	3.7
67.05487	59.9
69.07061	38.8
69.31319	1.8
71.04975	4.9
75.65438	1.9
79.05474	36.0
81.07040	95.8
81.10186	1.8
83.04957	9.0
83.08606	35.0
85.06525	3.1
91.05447	22.7
93.06483	3.6
93.07025	59.0
95.04937	7.9
95.08582	100.0
97.06516	19.1
97.10143	12.6
102.84057	2.2
105.07037	20.1
107.08566	29.6
109.06509	2.6
109.10145	41.5
111.08055	8.3
111.11745	2.6
113.11890	2.1
119.08556	11.7
121.10128	41.3
123.11691	15.6
125.09674	2.3
128.21959	2.2
131.08536	9.8
133.10109	19.1
135.11659	12.4
137.09567	4.2
137.13187	4.0
139.11153	12.3
145.10120	12.0
147.11649	5.1
151.11168	3.1
159.11697	8.5
173.13124	2.0
174.78285	2.1
187.13181	2.3
215.17865	8.9
217.44279	2.0
233.18961	21.9
251.19981	52.5
269.21045	20.7
325.23718	15.7
343.24701	40.6
366.80258	2.9
480.83124	2.3
483.37836	7.8
501.39441	19.5
519.40399	18.7
537.41254	24.4
593.44141	18.2
611.44800	21.5
652.65344	2.3
787.61017	2.5
861.63837	9.0
879.65656	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5655
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32998	0.3
64.99165	0.2
68.76941	0.3
69.44899	0.2
77.63543	0.2
91.13842	0.2
98.97549	0.3
100.51374	0.2
110.38547	0.3
125.81461	0.3
127.25923	0.3
128.98560	0.6
134.84441	0.2
134.99561	0.3
146.99574	1.5
149.01160	0.4
157.01726	0.3
161.01236	0.3
165.00655	0.3
167.03694	0.4
171.03221	0.5
177.03281	0.3
185.04884	2.0
189.04265	0.5
199.06448	3.0
203.05852	3.7
211.06464	0.3
217.07437	8.3
221.06868	0.6
223.02766	2.2
223.08475	0.6
225.04193	0.4
226.05051	1.7
229.07436	0.4
231.09035	0.6
237.04355	3.0
238.05055	0.5
241.03714	0.5
243.08975	0.4
244.06081	0.4
249.07951	0.4
251.05966	0.3
252.06676	0.3
253.11029	1.0
255.05418	1.8
255.09238	0.3
257.10562	0.5
262.08746	1.2
267.09079	2.1
279.08926	1.2
280.09811	4.1
281.10587	0.5
285.10257	1.9
289.14737	0.4
297.10037	0.9
298.10797	1.6
299.11734	0.4
307.15976	1.9
325.17020	0.3
331.15710	15.3
331.19644	0.6
349.16818	100.0
350.17233	2.7
367.17911	4.9
372.18378	4.2
500.69275	0.3
592.80469	0.3
623.36133	55.2
624.36432	2.5
783.59021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.6917
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69512	1.3
65.03913	2.3
65.20934	1.1
65.36340	1.2
67.05490	56.7
69.07047	33.0
71.04974	5.4
73.06529	1.6
79.05472	37.6
81.07035	77.7
83.04953	11.9
83.08597	25.3
85.06520	2.6
86.19402	1.4
91.05457	18.5
93.07024	54.5
93.95249	1.6
95.04946	2.7
95.08582	100.0
97.06512	11.8
97.10132	8.3
105.07021	14.2
106.85226	1.4
107.08588	27.0
109.06471	1.9
109.10139	39.6
111.08080	11.1
111.11755	1.9
117.06980	2.5
119.08566	13.2
121.10110	35.9
123.11684	13.7
131.08527	14.4
133.10130	15.2
135.11649	12.7
137.09625	5.8
137.13263	2.0
139.11137	10.5
140.84546	1.3
145.10086	11.4
147.11668	7.1
149.09578	1.6
149.13223	9.1
151.11154	3.1
159.11659	10.2
161.13173	2.6
165.37758	1.4
173.13223	7.2
195.13866	1.9
201.14757	1.5
215.18015	9.9
233.19012	18.8
251.20015	58.5
267.02997	1.4
269.21042	22.6
325.23770	5.7
343.24747	6.4
381.24124	1.6
483.38452	10.3
501.39304	33.4
519.40387	31.2
537.41437	30.7
584.48755	1.5
593.44006	2.1
611.44482	2.4
769.59149	7.4
787.60376	10.2
805.61499	14.1
861.63672	7.3
879.65320	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.692
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59296	1.8
66.91008	1.9
67.05495	62.9
67.82402	2.0
69.06766	2.0
69.07059	30.5
71.04969	9.0
79.05480	33.9
79.39033	2.0
81.07039	91.3
83.04965	7.7
83.08602	29.7
85.06545	3.6
91.05447	16.7
93.07030	54.1
93.98960	2.1
95.04932	2.8
95.08017	4.0
95.08591	100.0
95.09202	3.3
97.06498	10.5
97.10153	5.0
105.07018	14.4
107.08599	27.5
109.10143	43.1
111.08054	4.1
111.11692	2.1
117.07005	2.7
119.08548	13.0
121.10139	38.6
123.11671	11.0
127.51682	1.8
131.08524	15.0
133.10139	17.8
135.11678	13.8
137.09616	2.5
139.11151	9.2
145.10088	11.9
147.11638	9.2
149.13251	3.1
151.11153	3.8
159.11676	11.4
161.13263	3.5
173.13208	3.8
215.17915	11.6
220.57504	2.2
233.18991	19.9
251.20041	51.3
269.21243	14.6
282.49829	2.1
325.23621	7.4
343.24707	12.9
483.38037	8.8
501.39307	36.6
519.40472	26.9
537.41443	38.2
593.43738	8.3
611.44659	10.1
769.58899	10.6
787.59692	7.9
805.61255	11.8
861.65314	3.3
879.65894	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	914.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05190	1.4
67.05495	20.9
69.03414	1.9
69.07057	10.5
71.04963	1.6
71.08247	1.8
71.08613	31.9
73.02908	1.1
79.05476	10.8
81.03401	91.6
81.07039	23.6
83.04965	4.3
83.08130	1.3
83.08607	25.1
85.02891	7.4
85.06496	1.0
85.10167	17.2
89.06024	1.4
91.03941	4.4
91.05465	15.6
93.07023	8.0
93.72144	1.0
95.04950	24.8
95.08588	21.7
97.02863	5.4
97.10135	7.9
105.07011	14.3
107.04922	7.6
107.08552	5.4
109.06502	2.4
109.10150	12.5
110.34625	1.0
111.04395	1.7
111.08062	4.8
117.06964	1.6
119.08576	14.0
121.06489	2.1
121.10104	6.8
123.04369	1.2
123.11655	2.2
125.09583	1.3
126.80052	1.0
127.03828	1.4
129.07002	9.2
131.08539	9.4
133.06487	4.0
133.10066	5.2
137.13174	1.1
141.27957	1.0
142.07774	1.5
143.48047	1.0
145.10123	1.0
147.07985	1.9
147.11685	7.0
149.09589	4.8
157.10112	9.9
163.06035	1.2
175.11122	9.4
193.12202	31.3
234.44427	1.2
239.23669	1.7
249.14850	1.5
257.24612	4.1
263.20364	1.2
265.44424	1.0
267.15863	91.3
273.14908	1.6
274.43488	1.0
297.77267	1.1
301.14200	1.9
309.16840	4.1
313.27322	100.0
314.27643	1.4
393.43109	1.3
434.73782	1.1
505.38794	91.9
506.39142	1.2
523.39648	5.1
547.40131	7.2
601.40173	2.4
631.42041	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	908.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	34.1
69.03427	2.8
69.07055	29.0
71.04986	2.8
71.08636	2.6
72.38754	2.1
73.02905	3.0
77.38152	2.3
79.05477	25.5
80.19797	2.1
81.03396	42.9
81.07037	37.8
82.19366	2.6
83.04969	11.1
83.08616	35.9
85.02894	29.1
91.03937	5.1
91.05458	31.3
93.07027	21.8
93.22846	2.2
95.04966	24.2
95.08583	32.5
96.50623	2.6
97.02896	11.1
97.06525	3.4
97.10152	5.9
99.08051	2.5
101.74801	3.0
105.07007	24.4
107.04980	3.1
107.08593	13.3
109.06526	3.4
109.10152	12.8
111.08076	9.7
119.08537	19.1
121.10157	15.3
123.08086	2.9
129.06984	10.2
131.08571	10.2
131.97929	2.5
133.10138	11.0
135.11681	4.2
138.69258	2.3
142.07758	3.9
147.11700	12.1
149.09599	9.7
157.10138	14.0
175.11195	14.3
193.12198	25.5
207.77776	2.4
211.13231	35.4
217.15630	2.6
218.74976	2.9
262.12830	2.5
265.25058	2.3
267.15753	5.9
285.17014	39.9
339.28833	47.8
531.40320	13.9
549.41455	100.0
753.12268	3.0
761.46057	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	909.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	5.1
69.03411	6.1
69.07030	1.2
71.01343	0.7
73.02898	6.0
78.18897	0.6
79.05477	4.3
81.03410	3.7
81.07037	5.9
82.95580	0.6
83.04926	0.8
85.02893	11.6
91.03941	4.9
91.05467	3.4
93.07050	3.7
95.04976	0.9
95.08609	2.8
97.02869	7.5
97.10150	0.5
99.04419	0.9
101.02379	2.6
105.07027	1.3
107.08566	1.2
109.02864	1.0
109.10173	2.2
119.08604	1.4
121.10129	1.0
127.03882	2.2
129.07018	0.7
131.08521	0.8
133.10117	0.9
135.11737	0.9
202.59544	0.6
237.14636	0.6
243.08528	2.7
335.25650	0.8
347.09604	3.0
360.05750	0.8
365.10614	0.7
365.35193	0.6
394.25839	0.7
405.13577	5.3
469.20132	5.2
519.29260	5.3
631.25916	3.0
670.38940	0.6
681.34479	7.4
694.25311	0.7
747.43207	1.4
787.19031	0.7
859.68549	0.6
909.48016	100.0
910.48859	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	910.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	19.4
67.45268	1.6
69.03423	3.0
69.07066	12.4
71.04967	3.2
71.08620	24.6
73.02913	3.8
79.05476	18.7
81.03411	51.8
81.07040	31.3
83.04977	11.1
83.08611	22.7
84.63725	1.8
85.02897	28.9
85.06533	2.3
85.10173	12.3
91.03969	8.0
91.05466	24.4
93.07030	14.0
95.04978	13.4
95.08607	26.1
97.02890	8.4
97.06532	2.4
97.10155	11.0
105.07030	13.9
107.04938	2.6
107.08556	2.9
109.06523	3.0
109.10155	8.7
111.08076	8.9
119.08543	15.6
121.10116	8.7
123.11699	3.2
129.05460	1.9
129.07024	8.2
131.08557	7.4
133.10118	4.5
147.11696	12.2
149.09601	2.4
157.10135	12.8
175.11156	11.2
193.12236	36.4
211.13254	33.2
226.00201	2.2
267.15924	12.6
285.16901	49.8
285.27576	1.9
313.27548	2.5
341.30481	61.1
533.42120	13.9
551.42944	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	907.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64070	1.1
65.95981	1.2
67.05487	9.8
69.03409	3.1
69.07057	1.9
73.02902	2.4
79.05486	5.5
81.03406	2.7
81.07056	9.1
83.08607	1.6
85.02926	7.7
91.03936	2.4
91.05479	3.1
92.09333	1.4
93.07037	7.0
93.66526	1.3
95.04980	2.2
95.08583	5.3
97.02895	7.3
99.04449	1.7
101.02374	2.5
101.97797	1.5
104.21430	1.6
105.07035	2.5
107.08616	2.7
109.10122	1.5
119.08588	1.7
121.10069	1.7
133.10152	2.1
135.11746	2.5
135.95041	1.4
145.10078	1.8
153.93095	1.3
163.11194	5.0
188.10342	1.2
190.44981	1.4
194.50191	1.5
211.07256	1.4
227.12819	6.2
235.08202	1.6
249.11095	9.1
269.99637	1.4
305.13535	2.7
314.06210	1.5
405.13800	5.9
426.43991	1.4
467.18777	13.6
519.29230	7.5
529.38599	2.0
629.24188	11.0
681.34448	6.4
811.98981	1.5
907.46442	100.0
908.45898	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05154	1.9
67.05495	40.7
69.03410	2.3
69.07063	18.5
71.04974	2.9
73.02880	3.0
79.05476	25.8
81.03398	35.7
81.07038	54.2
83.04977	10.7
83.08601	19.3
85.02889	28.8
85.06511	1.2
91.03924	5.4
91.05453	26.1
93.07021	20.5
95.04945	15.2
95.08583	31.5
97.02882	6.6
97.06535	2.9
97.10155	3.0
105.07015	18.7
107.04948	2.4
107.08607	13.3
109.10162	11.4
111.08051	5.7
113.05994	1.4
119.08569	12.8
121.10110	11.2
123.11678	2.8
129.06978	6.9
129.78389	1.4
131.08508	7.3
133.10112	13.1
135.11693	3.3
137.09511	1.7
145.04913	1.5
147.11664	10.9
149.09636	1.7
157.10107	6.7
175.11105	7.9
193.12181	17.4
211.13235	17.4
219.93048	1.5
252.19531	1.6
267.15884	2.5
285.16895	24.5
337.27295	55.5
401.32556	1.5
458.49899	1.6
494.32803	1.6
529.38763	10.8
547.39874	100.0
548.40094	1.8
744.72803	1.5
906.49615	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	906.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17740	0.8
67.05495	46.9
69.03411	4.7
69.07053	21.1
71.04974	5.4
71.08609	0.9
73.02896	3.9
74.36075	0.7
79.05475	25.1
81.03400	45.9
81.07041	58.2
82.31853	0.8
83.04969	14.5
83.08607	23.3
85.02893	35.7
85.06551	0.9
91.03939	8.4
91.05466	29.8
93.07027	23.9
94.38893	0.9
95.04948	18.6
95.08586	40.2
97.02869	8.6
97.06505	4.6
97.10156	5.7
99.04442	1.0
99.08070	1.5
105.07016	22.8
107.04935	4.2
107.08598	12.6
109.06500	3.9
109.10144	16.4
111.08067	9.6
113.05978	0.8
117.07024	1.2
119.08569	18.6
121.06438	1.6
121.10131	10.7
123.08050	3.6
123.11680	5.9
125.09609	1.2
129.06982	9.7
131.08540	11.1
133.06427	1.2
133.10100	13.4
135.11632	1.3
137.09613	1.8
137.13199	1.6
142.07796	1.1
145.05013	1.4
145.10094	1.7
147.08055	3.7
147.11684	16.8
149.09602	5.0
157.10103	10.2
161.13300	1.8
163.06044	1.5
165.12756	1.8
175.11150	11.9
175.14821	1.6
193.12216	33.6
211.13266	36.5
234.74092	0.9
245.22664	1.6
263.23587	1.4
267.15903	8.5
285.16940	48.6
337.27328	41.2
344.52957	1.1
394.38739	1.0
529.38782	13.0
547.39856	100.0
548.39978	3.6
628.21521	1.1
778.98285	1.0
906.49945	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	907.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	6.6
69.03419	4.3
69.07052	1.2
73.02898	6.1
79.05458	5.4
81.03407	2.8
81.07031	9.9
83.08615	1.2
85.02889	9.9
89.57375	0.6
91.03949	4.1
91.05457	2.2
92.09406	1.4
93.07018	6.7
95.08575	5.6
97.02867	7.4
99.04505	0.6
101.02390	2.7
103.03904	0.6
105.07014	1.3
107.08608	3.4
109.02916	1.2
109.10148	3.0
119.08653	0.6
121.10155	3.0
125.00327	0.7
127.03932	1.4
131.08572	0.9
133.10086	1.1
135.11720	3.5
145.10132	1.5
149.13420	0.7
150.93706	0.6
157.10324	0.6
163.11224	3.1
176.70860	0.6
198.96758	0.6
227.12802	1.5
243.08516	2.7
249.10936	9.2
299.27112	0.8
305.13593	1.2
335.25763	2.5
347.09662	3.2
355.85443	0.7
405.13596	7.7
467.18652	5.7
503.37659	1.2
504.37701	0.8
519.29327	8.7
529.38904	0.8
558.04163	0.7
560.97894	0.7
629.24158	3.1
681.34363	8.4
745.40729	1.1
907.46436	100.0
908.46912	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	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07075	1.6
64.14909	1.8
65.03876	1.5
67.05488	54.0
69.03427	2.5
69.07053	25.9
71.04966	2.8
73.02887	3.4
73.86784	1.9
76.93000	2.0
79.05475	40.0
79.23356	1.7
81.03397	3.4
81.07034	67.0
83.04964	7.2
83.08598	16.4
85.02879	11.1
91.05457	15.5
93.07024	48.2
95.04944	8.1
95.08582	65.2
97.02881	9.6
97.06527	4.2
97.10154	2.9
99.04426	3.0
105.07021	13.9
107.04919	7.0
107.08575	34.8
109.06537	2.4
109.10115	14.6
111.08049	2.7
117.06993	4.5
119.08540	15.8
121.06493	2.5
121.10124	20.2
123.11640	2.5
125.05977	2.6
131.08504	2.7
133.10109	14.7
135.11668	53.3
139.07475	2.1
145.10089	29.4
147.11630	3.2
149.13191	1.9
161.13173	2.5
163.11157	63.8
181.12218	12.1
227.12740	54.4
245.44441	2.1
283.15341	69.1
335.25723	10.9
337.27332	63.9
394.46045	2.1
407.97281	1.9
545.38184	100.0
634.90540	2.0
904.48907	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	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32952	0.3
65.03925	1.5
67.05492	54.0
69.03412	5.3
69.07053	13.8
69.07403	0.7
71.04976	4.7
73.02903	3.9
79.05474	45.3
80.05827	0.3
81.03400	49.4
81.07037	56.3
83.04964	13.5
83.08601	21.0
85.02888	33.6
85.06525	2.2
87.04462	0.5
91.03937	8.3
91.05460	36.9
93.07022	44.1
95.04948	21.6
95.08583	36.2
97.02872	9.9
97.06506	4.6
97.09136	0.3
97.10143	4.6
99.04476	0.5
99.08079	1.4
103.05449	0.7
105.04476	0.5
105.07013	27.1
107.04946	5.3
107.08580	25.8
109.02861	0.5
109.06503	5.1
109.10139	14.9
109.10854	0.7
111.04441	1.8
111.08074	8.1
113.06004	1.9
115.03950	0.6
115.05434	1.3
117.06995	4.4
119.07723	0.9
119.08561	22.2
121.01036	0.4
121.06489	1.7
121.10120	21.9
123.08033	2.9
123.11662	5.0
125.06012	0.6
125.09600	1.4
127.03872	2.8
127.07534	0.4
128.06223	0.5
129.05482	0.5
129.06979	10.7
131.08540	17.1
133.06473	2.0
133.10109	16.5
134.62531	0.4
135.08070	0.6
135.11661	10.8
137.09619	2.3
137.13232	0.8
141.06935	0.4
142.07817	2.6
143.08572	1.6
145.04968	2.4
145.06432	0.5
145.10103	7.0
147.08029	2.6
147.11664	16.5
149.09613	5.2
149.13234	5.1
151.11131	0.5
155.08513	0.5
157.10100	13.1
159.11671	4.4
161.13228	3.1
163.06001	2.8
163.11125	0.6
163.14861	2.1
165.12695	2.9
171.11646	0.8
173.13177	3.1
175.11154	12.5
175.14827	1.5
177.12869	0.6
177.16322	0.6
183.11797	0.4
185.13289	0.5
187.11124	0.4
187.14807	2.5
193.12210	28.6
199.93274	0.3
201.16347	0.4
211.13258	29.6
243.20956	2.5
257.38971	0.4
257.54492	0.4
261.22098	7.8
267.15869	8.7
285.16907	35.9
317.24869	1.6
335.25723	56.0
336.26056	1.4
435.32620	1.5
453.33713	1.6
471.34644	0.7
527.37256	13.4
545.38269	100.0
546.38708	3.6
563.39026	1.3
689.42346	0.5
773.02899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	3.5
67.05492	55.7
68.51731	0.5
69.03425	7.0
69.06723	0.6
69.07056	14.3
71.04976	5.6
73.02902	5.6
75.35814	0.5
79.05477	45.3
81.03401	58.5
81.07040	64.8
83.04969	16.2
83.08608	25.1
85.02890	43.6
85.06518	2.4
85.29574	0.6
91.03944	10.3
91.05461	44.5
93.07024	45.3
93.27543	0.5
95.04948	28.0
95.08583	36.5
97.02873	12.7
97.06516	5.1
97.10152	6.9
99.04407	0.7
99.08070	0.8
100.02232	0.5
102.22776	0.5
105.04485	0.9
105.07014	34.7
107.04939	5.8
107.07875	1.1
107.08578	24.2
109.06519	5.5
109.10146	14.6
111.04413	2.7
111.08060	8.9
112.39737	0.6
113.05956	2.4
115.03924	0.6
115.05432	1.2
117.06985	6.0
119.04945	0.7
119.08563	23.2
121.06480	2.2
121.10117	21.0
123.08048	2.8
123.11692	4.7
125.09538	2.0
127.03868	3.7
127.07539	0.6
128.06213	0.7
129.06973	13.7
131.08553	21.2
133.06445	2.3
133.10107	17.8
135.11679	9.6
137.09602	1.3
137.13245	1.0
142.07796	4.7
143.08463	1.2
145.04907	2.3
145.10097	6.7
147.08037	3.2
147.10591	1.0
147.11678	19.0
149.09604	6.8
149.13243	4.1
157.10115	14.1
159.11682	4.4
161.13222	1.2
163.05980	4.3
163.11121	0.9
163.14743	1.3
165.12762	4.1
171.11578	0.9
173.13205	3.9
175.11162	12.7
175.14772	1.1
185.13277	0.6
187.14728	1.1
193.12212	40.7
199.14807	0.7
201.16411	0.6
211.13261	47.4
218.11655	0.6
227.12840	1.1
243.20937	3.5
261.22083	7.7
267.15857	13.8
285.16910	53.5
317.24503	1.8
335.25742	55.0
336.63040	0.7
416.25656	0.7
435.32303	3.2
453.33463	3.7
527.37256	14.4
542.12415	0.7
545.38275	100.0
546.38397	2.8
673.07715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15152	0.6
68.91769	0.7
69.03409	6.2
71.04979	4.8
72.81210	0.7
73.02911	1.0
81.03396	3.2
85.02896	16.0
92.08661	0.8
97.02876	5.6
98.10283	0.7
101.02865	0.8
109.02840	1.1
121.02861	6.2
127.03864	0.7
137.05975	3.2
194.67514	0.7
195.02850	1.3
217.04971	1.5
255.06503	1.0
256.07297	3.1
259.06183	0.9
261.03760	1.0
267.06424	1.2
268.91797	0.9
271.05984	11.6
279.96158	0.8
283.05966	38.0
284.06729	23.4
295.05945	17.5
297.07516	7.7
307.06039	1.4
308.06519	1.1
309.07510	4.7
311.04913	0.8
313.07016	100.0
314.07281	1.1
323.05573	2.0
323.09146	8.5
325.06787	1.3
337.06964	18.2
343.07922	3.9
349.07001	1.0
351.08514	4.2
367.07993	6.0
379.08035	5.9
397.09229	17.4
415.10220	20.3
433.11243	19.4
441.08136	0.8
459.12607	4.2
577.15387	1.3
579.17169	15.8
579.25714	1.6
595.16541	15.3
741.22375	9.6
757.21710	3.5
903.27673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	5.5
70.06572	0.3
71.04980	3.5
73.02897	0.6
77.81881	0.3
79.64825	0.3
81.03402	2.3
85.02891	15.1
87.04445	0.4
87.82143	0.3
89.56032	0.3
91.03952	0.3
92.09239	0.3
97.02879	4.7
99.04430	0.5
103.03895	0.6
109.02855	1.7
119.04993	0.4
121.02836	6.9
127.03887	1.3
129.05444	0.7
137.05952	0.5
145.04938	1.3
147.04356	0.3
164.60773	0.3
165.01746	0.4
171.02843	0.5
177.01718	0.4
183.02928	0.5
191.03218	0.4
195.02878	1.9
213.05515	0.5
217.04976	1.5
227.06978	0.6
235.05910	0.4
243.06572	1.6
255.06490	1.3
256.07214	1.6
259.05969	0.6
261.03842	1.3
267.06638	0.5
268.07104	0.3
270.05060	0.4
271.05939	8.9
283.05948	26.8
284.06729	23.0
285.07541	2.2
285.18158	0.4
295.05942	13.1
296.06412	0.5
297.07498	4.8
298.04382	0.3
307.05942	0.8
308.06900	1.2
309.07471	3.8
311.05585	0.7
313.07004	100.0
314.07477	2.2
316.05804	0.6
323.05554	0.8
323.09009	5.9
324.05923	0.4
325.07025	2.3
327.08731	0.5
337.06973	16.6
343.07941	2.8
349.07047	1.4
351.08310	2.7
355.07993	1.2
367.08011	6.2
379.08038	5.4
397.09131	12.8
415.10168	16.2
433.11212	19.9
434.11182	0.5
459.12708	6.3
500.85022	0.4
577.15198	0.7
579.16986	20.3
595.16559	9.7
741.08508	0.4
741.22211	13.6
742.23132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19191	4.0
67.05499	76.2
69.03445	5.9
69.07035	22.2
71.04969	4.9
71.08586	8.3
73.02897	5.7
79.05478	65.5
81.03398	50.2
81.07036	89.3
83.01323	10.7
83.04952	26.1
83.08591	24.9
85.02883	29.0
91.03933	7.6
91.05463	38.5
92.64730	5.0
93.07025	72.0
95.04930	20.9
95.08591	59.8
97.02878	18.8
97.06475	5.6
97.10165	6.1
103.96685	4.8
105.07008	38.8
107.04954	8.5
107.08572	43.6
109.06456	6.1
109.10134	24.4
117.06987	7.9
119.08556	27.5
121.06458	5.9
121.10098	27.5
123.08003	10.7
131.08536	23.1
133.10133	6.4
135.07928	5.5
135.11658	27.7
135.46922	4.9
145.10132	33.3
147.11678	8.5
163.11147	29.1
193.12105	8.4
232.28329	5.1
243.20857	6.2
261.22137	20.6
267.15839	27.0
268.16296	9.4
283.15347	75.7
313.27310	25.1
314.27615	10.2
335.25790	88.9
386.30362	5.3
505.39346	9.9
506.38852	11.8
525.35779	6.1
543.36658	100.0
611.40009	5.4
771.51752	5.8
776.94110	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50875	3.2
65.03915	3.3
67.05492	51.9
68.83256	2.9
69.03410	5.8
69.07053	21.5
71.04968	3.7
71.08619	5.6
71.36410	3.0
73.02898	4.5
79.05473	37.8
81.03399	39.1
81.07043	72.3
83.01338	4.6
83.04964	13.8
83.08596	23.0
83.89349	2.8
85.02888	26.5
85.10139	5.4
91.03927	15.5
91.05454	33.6
93.07033	65.8
95.04941	18.1
95.08580	43.5
97.02855	7.3
97.06535	5.1
97.10123	5.0
99.04431	3.8
105.07001	25.1
107.04926	5.6
107.08570	40.8
109.06507	7.7
109.10135	16.2
117.06976	13.5
119.08573	18.9
121.10143	25.8
123.08020	6.0
123.11723	3.8
127.03876	4.9
127.82083	3.3
131.08513	22.8
133.10127	20.6
135.11658	27.5
135.45729	3.0
145.10123	22.0
147.11659	15.7
161.13194	3.4
163.11156	20.5
171.11746	4.4
173.13281	6.9
191.10724	3.7
193.12198	7.3
209.11681	4.2
227.12878	5.3
261.22058	19.0
267.15939	14.1
268.16183	15.1
283.15405	67.6
313.27338	20.7
314.27771	14.3
335.25684	68.4
349.79892	3.6
505.38879	5.2
506.39117	13.0
515.30695	4.0
543.36798	100.0
559.83105	4.4
561.37091	11.4
715.56323	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	902.51
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42507	0.5
65.03915	1.1
67.05490	41.4
68.08900	0.4
69.03436	1.9
69.07053	11.5
71.04982	3.6
73.02895	2.1
78.57670	0.5
79.05471	37.5
81.03396	2.8
81.07037	46.4
83.04967	3.2
83.08601	9.9
84.13979	0.5
85.02890	5.0
85.06522	2.1
91.03944	2.5
91.05460	14.6
93.07023	58.8
95.04935	9.6
95.08582	54.5
97.02872	5.3
97.06517	4.9
97.10145	1.8
97.54020	0.6
99.04425	3.0
103.05437	0.6
105.07018	13.0
107.04945	8.3
107.08573	36.6
109.06513	2.9
109.10134	11.5
111.04401	0.6
111.08068	1.1
113.05949	0.5
117.07002	9.5
119.08557	13.8
121.06474	5.5
121.10112	19.9
123.04137	0.6
123.11694	2.4
125.06010	2.2
127.07565	0.5
129.06929	0.7
130.07811	0.9
131.08533	5.7
133.10114	6.1
135.08020	2.6
135.11665	43.6
137.13264	0.9
139.07532	0.9
145.10106	27.5
147.11661	3.7
149.09601	0.6
149.13248	3.5
159.11697	1.2
161.13245	2.3
163.11151	51.6
163.14825	2.0
172.56862	0.6
173.13222	1.0
175.14827	0.6
177.16379	0.6
181.12218	9.1
187.14771	0.8
209.11734	0.7
227.12743	46.1
243.21042	2.2
261.22107	6.1
283.15341	41.9
302.70557	0.6
317.24622	1.2
335.25729	93.4
390.41199	0.6
413.57910	0.5
543.36707	100.0
544.37219	1.2
561.37805	1.1
918.86890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05144	1.7
67.05493	50.6
69.03416	1.7
69.07053	16.3
70.37833	0.8
71.04979	3.6
71.08587	0.9
72.43570	0.9
73.02901	3.5
79.05472	46.8
81.03399	5.5
81.07040	55.3
83.04974	4.8
83.08604	14.9
85.02891	7.1
85.06530	1.8
88.22035	0.8
91.03935	4.0
91.05452	24.1
93.07025	67.2
95.04954	11.2
95.08587	71.7
97.02880	7.7
97.06488	3.8
97.10114	1.7
99.04428	4.0
105.07020	17.6
107.04954	9.4
107.08574	46.1
109.06482	2.2
109.10137	15.6
111.08064	1.9
113.06057	0.9
117.06993	17.6
119.08562	20.4
121.06471	7.1
121.10116	27.4
123.08034	1.0
123.11691	3.4
125.05991	3.5
130.07767	2.1
130.56238	0.9
131.08498	7.7
133.10088	8.6
135.08040	3.7
135.11668	76.4
139.07532	1.4
139.29868	0.8
143.08493	1.4
145.10112	41.6
147.11699	1.7
149.09518	1.0
149.13219	4.2
149.96257	0.9
151.58260	0.9
153.22791	0.9
159.11687	3.5
161.13203	3.8
163.11151	83.1
163.14796	1.4
164.55167	0.8
172.37459	0.8
173.13228	1.6
181.12189	14.1
187.14531	0.8
227.12752	75.8
256.00699	1.0
261.22098	7.3
283.15356	84.2
313.27417	1.7
335.25726	80.1
336.26254	1.0
505.29196	0.9
509.42563	1.1
543.36719	100.0
544.36829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	41.7
69.07041	10.1
71.04991	19.6
71.08626	20.7
71.48018	1.7
73.02884	2.4
76.24651	1.7
76.56001	1.8
76.76506	1.8
77.95885	1.7
79.05477	7.2
81.07043	81.5
83.08603	9.6
85.02892	11.3
85.06513	3.4
85.10171	14.0
91.03957	6.7
91.05456	10.0
92.09387	6.0
93.07032	12.4
94.33186	1.7
95.08601	25.6
97.02873	8.4
97.10126	3.6
101.88843	1.6
103.67702	1.7
105.06998	7.8
107.08566	8.8
109.10155	17.8
121.10117	1.8
123.11692	12.7
127.03886	2.0
131.08556	2.4
133.10118	12.5
137.13220	2.3
151.11200	7.7
183.13770	2.2
187.13263	3.2
239.13298	1.7
263.23071	1.7
271.55151	1.7
301.20013	10.9
313.27457	14.8
452.49017	2.0
481.38892	52.0
507.40469	4.1
539.43024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59756	1.2
67.05146	2.1
67.05486	44.6
69.07046	9.0
70.06631	1.1
79.05473	44.5
81.03394	3.0
81.06603	1.7
81.07040	36.6
82.93628	1.2
83.04958	7.9
83.08590	5.1
85.02855	2.1
91.03947	1.8
91.05462	28.4
93.07021	41.7
95.04951	14.3
95.08588	27.0
95.65925	1.1
97.02874	1.3
97.06496	1.4
97.10124	1.3
105.06384	1.6
105.07031	23.0
107.04929	1.2
107.08578	17.9
109.06491	1.9
109.10159	8.7
117.06976	6.0
118.45832	1.1
119.08544	13.1
121.10106	10.3
123.08017	3.0
123.11651	1.5
129.06952	5.0
131.08536	3.0
133.10091	6.6
135.09900	1.2
135.11650	6.1
143.08516	5.6
145.10120	5.6
147.08032	2.0
147.11665	15.7
159.11580	1.5
161.13184	2.6
171.11664	8.9
173.13214	1.7
189.12697	2.4
207.13747	3.1
235.82034	1.6
261.22064	2.8
281.17410	16.6
335.25739	30.6
523.98950	1.5
541.38788	100.0
547.18170	1.5
559.39954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02980	1.6
67.05492	40.5
68.45995	2.0
69.07050	12.0
70.07459	1.7
79.05474	56.7
80.92004	1.6
81.03411	7.8
81.07038	38.3
83.04964	10.7
83.08617	3.7
85.02878	3.2
85.06521	2.1
91.05459	39.4
93.07021	67.0
95.04933	9.5
95.08578	31.8
96.15561	1.8
97.10185	2.3
105.07001	22.4
107.04945	2.6
107.08578	19.6
107.35102	1.8
109.06483	2.2
109.10136	8.8
112.93008	1.9
116.19104	2.2
116.93507	1.7
117.06991	10.3
119.08521	22.1
121.10126	12.3
123.08007	2.4
129.07001	7.8
131.08549	3.6
133.10139	9.9
135.11665	3.3
142.23820	1.8
143.08572	8.1
145.10136	4.4
147.11685	22.0
161.13220	4.0
171.11601	15.0
207.13762	4.4
249.42090	2.2
281.17422	34.3
291.74820	2.1
310.71201	2.0
313.27374	2.5
335.25836	25.7
384.63898	2.1
541.38831	100.0
559.40155	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	890.547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05149	3.7
67.05489	75.2
69.07055	28.4
71.04973	3.9
71.31882	2.1
71.43372	2.3
79.05482	30.2
81.07034	98.6
81.13103	2.2
83.08601	21.5
85.02880	12.6
91.03932	5.6
91.05467	25.1
93.06511	2.9
93.07033	54.5
93.59660	2.3
95.08579	40.1
97.02843	4.1
97.06489	6.1
97.10125	4.0
105.07008	12.7
106.27470	3.0
107.08581	33.8
109.10133	18.4
111.08027	5.5
117.07017	4.5
119.08583	5.9
121.10103	21.5
131.08553	2.8
133.10072	5.5
135.11687	5.9
135.85263	2.4
149.13231	25.1
159.11653	10.3
177.12697	5.1
189.44002	2.8
258.65100	2.8
269.17441	81.0
291.15082	2.6
337.27298	42.9
360.65189	2.7
531.32751	4.3
531.40344	100.0
649.19226	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	893.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	5.2
69.03424	6.4
73.02905	3.3
79.05489	1.8
81.07063	7.2
83.04962	1.2
85.02914	8.6
86.89408	1.6
91.03965	2.6
91.05471	2.2
93.07042	6.5
95.08608	3.0
97.02900	9.2
101.02373	2.0
103.54605	1.5
105.07063	1.5
107.08611	1.8
110.32304	1.3
119.87447	1.4
121.10205	1.6
127.03929	1.6
135.11720	1.9
165.09473	1.3
185.04326	1.4
199.69403	1.2
213.68411	1.3
213.85945	1.4
227.12851	1.7
283.15396	1.9
347.09418	2.2
405.13675	7.8
453.20963	6.4
466.54520	1.7
508.23340	1.7
519.29498	6.0
533.37793	1.7
615.25928	5.7
681.34521	6.7
688.86304	1.6
893.48499	100.0
894.48572	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	893.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	6.6
69.03425	4.8
70.00362	1.1
73.02898	5.8
75.45150	1.2
79.05479	4.7
81.03392	1.5
81.07067	4.5
85.02899	8.8
91.03951	5.9
91.05467	1.5
93.07052	5.2
95.08576	2.2
97.02880	7.9
101.02357	2.1
105.07047	2.0
107.08598	1.4
109.02882	1.5
149.13249	1.9
150.98672	1.3
152.10468	1.3
160.71631	1.1
185.88733	1.2
190.26384	1.4
243.08466	1.9
325.90668	1.3
329.88528	1.4
343.13379	1.4
347.09485	2.9
384.87564	1.3
405.13882	6.3
453.20837	9.5
519.29559	6.6
615.26440	8.9
681.34943	1.8
893.48450	100.0
894.48425	2.1
916.73932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.4
67.05496	65.1
69.03411	3.1
69.07053	21.8
71.01318	0.6
71.04964	4.5
71.08624	0.9
73.02910	4.3
77.03891	0.8
79.05477	49.1
81.03416	2.4
81.07042	82.8
83.04967	6.4
83.08607	13.4
85.02415	1.0
85.02891	12.5
85.06531	3.2
91.03935	5.8
91.05469	24.7
91.85242	0.6
92.08665	2.2
93.07028	72.2
95.04961	6.2
95.08588	36.3
97.02868	6.7
97.06515	10.6
97.10151	1.4
99.08076	2.8
105.07021	13.8
107.04946	0.8
107.08588	40.9
109.06506	3.7
109.10164	11.5
111.08081	6.1
117.07012	7.7
119.08557	9.4
121.06503	0.7
121.10134	24.4
123.07995	1.4
123.11670	3.8
127.03892	2.5
129.06993	0.7
131.08562	12.2
133.10101	9.3
135.08022	2.6
135.11661	12.3
137.13203	0.7
139.11176	0.9
145.05022	1.1
145.10097	4.1
147.11699	4.9
149.09625	0.9
149.13252	26.4
159.11649	12.2
161.13226	4.0
163.05971	1.1
163.14758	1.3
173.13239	2.6
177.12735	4.8
177.16466	0.7
187.14842	0.8
192.76852	0.7
195.13780	6.8
215.98331	0.6
243.20844	0.9
261.22144	7.3
267.15811	0.9
269.17438	73.5
281.64554	0.6
317.24609	1.0
335.25742	38.5
356.43884	0.7
455.35257	0.8
511.37527	1.3
529.38812	100.0
530.39063	3.0
547.39618	3.7
855.88422	0.8
867.56769	0.8
887.47711	0.7
914.65741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	3.5
69.03423	15.7
71.04990	5.9
73.02901	7.5
79.05482	1.2
81.03407	27.2
81.07022	1.2
83.04969	3.4
85.02893	42.1
85.06536	1.5
87.04438	1.2
90.54318	0.8
90.88979	0.7
91.05470	4.6
93.07035	3.5
95.04951	3.5
95.08581	12.9
97.02875	22.4
99.04439	46.4
103.03925	23.1
103.05459	1.1
105.07038	5.4
107.04932	1.3
107.08588	5.1
109.02872	48.8
109.06507	1.5
109.10172	1.0
110.03646	1.1
115.03878	1.1
119.04947	5.7
119.08577	4.6
121.02887	1.0
121.06490	1.5
121.10140	4.3
123.04455	1.6
123.08069	6.5
125.02364	0.9
125.05968	3.4
127.03902	100.0
131.04912	4.3
131.08528	1.1
133.10048	2.8
135.11688	1.4
137.05940	5.8
137.09557	1.3
145.02982	0.7
145.04951	17.5
145.10149	1.5
147.04399	77.5
147.08058	1.4
147.11736	4.3
149.09601	22.7
149.10719	1.3
151.03905	3.3
151.07530	15.2
151.11177	1.0
156.09343	1.1
161.13251	5.0
163.06039	3.1
163.11150	1.0
165.12692	1.0
169.05016	3.2
171.11758	1.3
174.10451	1.8
175.07529	1.1
177.05466	1.6
179.07007	19.9
187.06017	9.7
189.12714	10.2
191.14308	4.4
193.04932	1.0
197.08060	22.7
197.09680	1.3
205.06947	1.6
207.13788	28.2
229.07129	1.0
235.05960	1.1
253.07071	5.7
271.08060	13.1
289.09143	11.5
307.10425	1.6
313.09122	1.0
349.11276	1.3
379.10315	1.1
397.11234	4.1
415.12329	10.5
433.13394	10.4
451.14575	7.4
451.96976	0.9
888.36530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.532
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33284	0.5
65.03925	2.7
67.05492	64.1
67.49411	0.4
69.03429	3.8
69.06712	0.9
69.07057	17.2
70.19745	0.4
71.04984	5.3
71.08643	0.7
73.02898	4.8
79.05476	43.4
81.03402	2.2
81.07040	68.7
83.04962	5.2
83.08608	11.6
83.62042	0.5
85.02895	12.9
85.06524	2.7
91.03942	6.7
91.04891	0.8
91.05464	22.0
92.08615	0.9
93.07024	60.4
94.07356	0.5
95.04945	4.4
95.08587	36.0
97.02867	8.2
97.06516	7.6
97.10166	2.4
99.08087	2.9
101.02366	0.7
105.07024	14.0
107.08582	33.8
109.02805	0.6
109.06504	2.5
109.10152	12.9
111.08064	3.7
117.06989	7.9
119.08569	9.0
121.10124	21.2
123.08116	0.6
123.11696	4.4
125.09649	0.6
127.03961	1.9
131.08549	11.2
133.10133	8.6
135.08060	0.5
135.11676	13.3
139.11183	0.8
145.04979	2.2
145.10110	6.0
147.11656	4.4
149.12013	0.7
149.13239	21.7
157.10101	0.5
159.11662	11.4
161.13261	2.4
163.14786	0.9
173.12004	0.5
173.13289	3.4
177.12758	4.2
187.14844	0.9
195.13783	3.8
225.31613	0.5
243.21133	2.4
261.22113	6.6
267.15955	0.8
269.17444	32.3
299.23438	0.5
317.24750	1.0
335.25763	40.5
405.13815	1.0
405.31506	0.6
406.13922	0.5
469.20358	1.0
529.38788	100.0
530.38928	4.0
536.87592	0.7
547.39771	2.5
632.25238	1.9
700.73450	0.6
887.49677	6.8
888.49969	15.2
922.84344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	2.7
69.03422	7.8
69.07069	3.4
71.08619	4.1
71.69261	1.7
73.02918	3.3
79.05496	1.9
81.07051	3.8
81.84036	1.6
83.08635	2.6
85.02900	4.4
86.04836	1.9
91.03938	3.1
91.05508	2.1
93.07038	7.2
95.08599	3.5
97.02870	7.2
105.07035	2.8
107.08618	2.6
109.10146	2.1
135.11725	3.0
157.38293	1.8
163.11215	2.5
206.59045	2.0
227.12852	3.3
249.10953	7.9
313.27371	8.4
320.15353	2.0
332.43301	2.3
395.26840	2.1
405.13812	4.4
467.18646	16.3
497.30881	10.5
629.24396	3.9
659.36432	7.5
675.65637	2.6
689.90082	2.0
885.48108	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	887.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80936	1.0
67.01851	6.7
67.05473	1.5
68.99764	3.0
69.03411	16.4
71.04967	8.2
73.02898	10.0
74.11026	1.0
74.14489	1.2
81.03400	34.4
81.07012	1.1
82.03719	1.4
83.04949	2.6
83.08589	1.5
85.02885	69.8
90.43134	1.2
91.05439	6.1
93.07021	1.9
95.04942	5.0
97.02859	27.9
99.04430	46.6
103.03911	24.6
103.05470	1.5
105.03381	1.7
105.06986	1.8
107.04926	9.6
107.08585	1.2
109.02861	64.0
113.37756	1.2
119.04891	11.2
119.08541	1.6
121.02840	7.3
121.06474	6.5
123.04379	8.3
125.02331	2.6
126.75922	1.5
127.03889	73.8
131.04892	2.0
133.10091	1.7
135.04376	1.9
137.05948	6.3
139.03848	1.3
145.04926	17.2
147.04401	39.5
149.02324	2.0
151.03882	7.0
153.01804	81.7
159.04294	1.7
161.02332	1.8
161.06021	2.2
163.03831	2.0
165.01825	11.5
169.04901	1.7
171.02852	68.3
175.03822	2.5
177.01793	18.9
179.03380	5.0
183.02856	12.1
187.03949	4.9
187.05971	8.6
189.01823	6.0
189.05457	1.5
191.03337	16.0
195.02852	100.0
197.00879	1.7
201.01866	1.5
203.03374	2.7
205.04828	1.6
207.02885	12.9
209.04399	2.9
213.03914	2.2
215.03363	13.6
217.01251	2.9
217.04900	1.7
219.02841	35.7
221.04369	1.4
229.04929	2.0
229.07024	2.2
231.02797	5.4
233.04355	7.1
237.03845	11.0
243.02820	17.2
247.07979	1.6
249.04007	2.5
257.04382	5.7
261.01343	2.4
261.03873	40.9
267.02896	2.2
271.08209	5.8
273.04282	2.6
273.07507	47.4
279.04907	4.7
285.03888	12.3
285.07370	4.6
297.07510	18.7
303.04962	8.2
309.03760	2.5
315.08502	24.2
323.05515	1.7
327.04858	6.1
339.08624	14.9
357.09610	1.9
363.08597	9.8
373.11227	1.6
381.09589	24.2
387.07959	1.7
397.11539	1.9
399.10730	4.6
405.09482	8.1
415.11877	1.5
423.10440	1.5
441.11389	2.3
459.12595	1.3
471.10730	1.5
489.11423	1.6
507.12531	1.8
525.13757	2.5
549.12622	2.0
567.13336	1.7
641.65289	1.6
651.16541	2.4
669.16705	2.5
724.63458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	16.7
69.07049	8.6
71.08614	16.2
77.28932	1.9
79.05463	8.6
81.03393	25.1
81.07031	18.6
83.04949	7.4
83.08598	15.3
85.02895	19.3
85.10168	8.4
91.03901	2.2
91.05459	12.7
93.07018	8.5
95.04952	16.5
95.08604	14.4
97.10152	5.0
105.06995	10.8
107.04894	3.7
107.08547	4.6
109.10146	2.6
111.04457	3.0
111.08071	3.6
117.27377	2.1
119.08569	10.2
121.10112	2.5
123.08009	2.8
129.07007	4.0
131.08568	3.3
133.10088	4.8
147.11685	9.5
149.09602	3.6
157.10085	8.6
175.11165	12.6
193.12230	26.6
211.13220	23.3
215.67967	2.2
219.16672	2.4
233.49277	1.8
239.23834	2.5
262.17502	2.3
267.15884	4.2
285.16791	22.4
313.27267	29.8
381.09372	2.1
505.38727	9.7
523.32361	3.8
523.39880	100.0
604.25055	2.4
725.13812	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	884.26
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01853	4.4
68.99789	3.0
69.03399	2.0
73.02905	0.4
81.03389	1.6
83.01316	0.4
85.02898	5.5
86.23846	0.4
88.03908	0.4
91.05439	2.1
92.09269	0.4
97.02878	2.1
103.05470	0.4
105.07030	0.6
107.04942	1.7
109.02859	0.9
111.00790	3.3
119.04910	3.1
119.08603	0.4
121.02887	0.6
123.04419	1.6
125.02339	0.6
127.03894	2.0
129.07008	0.7
131.04921	1.7
133.06476	11.0
135.04399	0.7
137.05988	3.4
147.04399	12.3
147.08017	2.3
149.06035	0.5
151.03888	0.8
151.14502	0.3
153.01817	98.6
154.02136	0.7
155.05000	0.4
157.06476	1.8
159.04388	18.0
161.05969	3.8
165.01785	0.4
169.06487	0.4
171.02876	18.1
171.04242	0.7
173.05940	3.1
175.07518	3.5
177.05446	43.9
179.03394	6.7
183.02928	0.4
183.04410	1.7
185.05997	1.4
187.03893	14.4
191.03452	0.4
195.02863	2.3
197.05995	3.8
199.03815	0.4
201.05421	2.6
203.07024	1.4
205.04939	0.7
211.03900	2.1
213.01811	3.5
219.02876	1.6
223.04037	0.7
225.05421	2.0
227.03328	1.6
229.04961	4.5
231.02786	2.8
245.04396	6.7
247.05997	2.2
251.03542	0.5
253.04880	3.5
255.02824	7.8
255.10829	0.4
258.35077	0.4
269.04269	0.5
271.05969	100.0
272.06299	0.7
273.03824	3.7
279.02905	0.6
280.55026	0.3
289.07153	1.3
295.05927	1.7
297.03894	57.1
298.04297	0.8
313.07083	0.5
321.03888	0.7
349.06784	0.4
349.10764	0.8
365.10034	0.5
378.83838	0.4
391.11771	5.2
399.08652	0.6
423.07053	73.8
424.07498	1.4
447.07083	2.2
449.08798	0.6
465.08167	0.7
531.09021	0.4
543.12799	52.6
544.12903	2.0
567.12140	1.8
585.14166	0.7
609.12915	0.7
669.16144	0.5
884.33978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13489	0.4
65.03926	0.6
67.05492	21.8
69.03417	4.0
69.07052	9.6
71.04980	4.0
71.08613	24.2
73.02904	4.8
79.04996	0.5
79.05472	17.2
81.03400	48.9
81.07038	28.2
83.04967	12.5
83.08602	23.3
85.02890	32.2
85.06528	2.2
85.10167	12.5
87.04436	0.7
89.06020	0.6
91.03934	7.9
91.05463	23.6
93.07016	11.8
95.04950	17.7
95.08585	21.7
95.09197	0.8
97.02872	10.4
97.06516	3.7
97.10141	6.6
99.04451	0.5
99.08062	0.8
103.07522	0.6
105.07015	16.8
107.04937	4.9
107.08577	6.1
109.02857	0.5
109.06495	3.9
109.10145	8.1
111.04432	1.7
111.08057	5.7
113.05989	1.7
115.03894	0.5
117.07023	0.9
119.08560	14.1
121.06493	0.8
121.10122	7.6
123.08037	1.8
123.11693	3.2
125.09609	0.8
126.88146	0.4
127.03900	3.3
129.06985	8.5
131.08546	9.8
133.06496	1.0
133.10103	8.7
137.09579	0.8
137.13275	0.7
142.07764	2.4
145.04947	2.1
145.10110	1.9
147.08064	2.4
147.11668	11.2
149.09596	4.6
157.10114	11.7
163.05988	1.8
165.11531	0.4
165.12776	2.5
165.38914	0.4
175.11127	11.6
186.56720	0.4
192.91864	0.5
193.12204	30.2
211.13258	32.8
212.13597	0.6
239.23651	1.9
257.24756	2.5
267.15833	13.4
285.16904	50.0
286.17285	0.4
302.28656	0.4
310.47968	0.5
313.27319	54.2
314.27902	0.7
355.90546	0.5
505.38815	14.3
523.39844	100.0
524.40033	2.6
530.02679	0.5
667.43555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	2.7
65.06478	1.5
67.05212	1.3
67.05497	19.0
69.07047	7.9
71.08613	28.6
73.02882	1.9
73.90359	1.9
74.88226	1.5
78.76138	1.8
79.05478	16.0
81.07039	25.1
83.08604	14.2
85.02898	2.9
85.10172	15.7
87.54269	1.9
90.71548	1.8
91.05463	8.1
93.07022	24.1
95.04930	3.8
95.08579	42.4
97.02895	7.4
97.06485	2.1
97.10168	3.4
105.06982	3.0
107.04993	6.2
107.08575	18.2
109.10150	10.2
117.06967	7.6
119.08567	3.3
121.06419	2.9
121.10102	9.5
123.11683	2.2
135.11671	43.4
145.10118	23.7
163.11151	56.0
181.12236	11.2
199.77301	2.0
203.68765	1.8
227.12729	45.5
283.15363	37.0
313.27310	100.0
358.30215	2.3
386.82556	2.1
521.38245	98.5
687.29297	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05154	0.7
67.05492	18.3
69.03413	3.2
69.03995	0.6
69.07050	9.7
70.40903	0.5
71.04959	4.0
71.08613	25.2
73.02884	3.6
76.56618	0.6
79.05470	14.5
81.02937	1.4
81.03396	35.4
81.07034	24.6
83.04968	10.0
83.08121	0.9
83.08608	20.4
85.02888	29.7
85.06527	1.1
85.10159	15.0
89.05979	0.7
91.03933	6.2
91.05460	21.2
93.07020	10.3
95.04948	13.3
95.08586	23.4
97.02876	8.5
97.06505	2.6
97.10151	6.2
99.08038	1.0
104.98804	0.6
105.07013	15.7
105.07675	1.3
107.04951	5.6
107.08575	5.5
109.06490	2.6
109.10139	9.2
111.04414	1.0
111.08060	5.0
111.11697	0.8
113.05937	1.0
117.07014	1.3
119.08562	12.2
121.10161	5.8
123.08041	0.9
123.11699	5.1
127.03832	1.0
129.06961	7.2
131.08519	7.8
133.06429	1.1
133.10115	8.5
137.09602	1.0
142.07761	1.4
145.04936	2.5
145.95135	0.7
147.08011	1.1
147.11674	10.0
149.09572	4.1
157.10094	9.7
163.06035	0.7
166.78983	0.6
175.11156	10.7
193.12218	22.8
211.13261	19.2
239.23689	2.4
248.04272	0.7
257.24683	2.7
259.29794	0.7
267.15833	9.4
285.16904	29.2
313.27307	69.2
391.02289	0.7
475.57126	0.8
505.38751	18.6
523.39832	100.0
524.40204	1.4
586.36902	0.7
667.43982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.4
67.05495	19.5
69.03415	1.1
69.07066	8.8
71.04965	0.7
71.08629	21.8
72.56295	0.6
73.02913	1.8
79.05061	1.0
79.05485	19.6
81.03433	1.0
81.07040	21.7
83.04958	1.6
83.08601	12.4
85.02898	6.5
85.10178	13.1
89.06039	1.4
91.03974	1.5
91.05470	7.0
93.06577	0.9
93.07034	28.9
95.04951	6.0
95.08591	46.7
97.02881	7.3
97.06519	4.0
97.10155	5.0
99.03815	0.9
99.04456	3.2
102.92148	0.7
105.07014	6.6
107.04948	8.0
107.08586	22.9
109.06518	1.8
109.10181	7.9
109.10815	1.2
109.86316	0.9
111.04446	1.8
111.08061	0.9
111.11660	0.9
115.06766	0.7
117.07014	8.4
119.08582	8.6
121.06485	4.3
121.10125	11.8
123.11713	1.2
123.75335	0.9
125.05999	3.0
133.10146	3.1
135.08052	1.7
135.11691	48.5
139.07504	1.4
145.10120	26.9
153.12735	0.7
155.08624	1.1
163.11165	69.7
181.12216	12.9
184.02023	0.8
198.50076	0.8
227.12761	59.6
239.23712	1.9
257.24603	1.8
283.15353	67.4
313.27332	77.1
314.27658	1.5
492.54025	1.0
521.38293	100.0
522.38550	1.2
891.16504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	27.5
67.47086	2.5
69.07053	11.7
71.08611	15.2
79.05471	34.9
81.03403	2.6
81.07042	27.4
83.04974	5.9
83.08582	4.0
85.02898	3.3
85.10172	4.1
91.05445	27.3
93.07016	35.8
95.04932	9.4
95.08576	21.8
97.10163	4.1
105.07021	23.9
106.49679	2.6
107.04921	3.4
109.06427	2.6
109.10149	4.6
119.08567	13.0
129.06976	4.2
133.10103	5.0
140.95074	2.8
142.47697	2.6
143.08563	4.4
145.10167	4.6
147.11674	22.0
159.83282	2.9
161.13211	3.8
171.11671	13.4
174.72060	2.6
207.13815	5.6
223.83154	2.9
281.17389	50.5
313.27335	36.8
393.02475	2.8
494.20038	2.8
519.40381	100.0
558.08887	3.0
835.99213	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	878.344
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42648	0.2
65.49990	0.2
69.03417	1.8
70.06592	0.2
73.04910	0.2
81.03397	4.0
82.16478	0.2
85.02910	2.4
89.03907	3.4
91.05470	1.2
92.09302	0.3
93.07023	0.4
95.04933	0.3
97.02862	1.1
99.04442	1.3
103.05464	0.5
105.07066	0.4
107.04939	0.4
107.08658	0.2
109.02238	0.2
109.02865	2.0
117.03368	15.4
119.04929	1.4
121.02823	0.3
122.03690	0.3
127.03922	1.4
129.07039	0.5
131.04916	1.3
133.10091	0.3
134.03635	0.3
135.04417	1.0
135.08008	0.3
137.05952	6.6
145.02840	65.5
145.10081	0.3
146.03204	0.5
147.04407	0.9
149.05960	8.1
151.07533	2.8
161.05930	0.9
162.03058	0.4
163.03889	1.1
163.07567	2.7
165.07018	0.3
167.08427	0.3
175.07423	0.8
177.05446	100.0
177.08731	3.2
178.05779	0.6
186.05450	0.5
189.09114	0.6
189.69670	0.2
193.06412	0.3
195.06448	1.0
195.08093	0.5
221.05962	0.3
221.09665	0.4
221.11711	0.5
225.09151	0.2
227.10637	1.4
228.92627	0.3
253.08524	0.5
255.10091	1.3
273.26929	0.2
285.11081	0.8
287.12714	1.5
299.12610	0.3
311.12622	0.5
313.14450	0.4
321.09650	4.3
331.15381	2.4
333.11008	0.4
339.10715	7.5
343.15219	0.9
355.14816	0.3
365.13654	0.5
383.14917	6.0
402.84036	0.3
444.82132	0.3
453.66452	0.3
501.15860	0.4
507.19830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	5.2
64.28336	1.3
67.05489	33.3
69.03400	1.6
69.07054	12.0
71.04966	1.5
71.08611	19.0
77.94366	1.3
79.05471	42.9
81.03361	2.4
81.07037	31.3
83.04956	7.6
83.08594	7.4
85.02874	7.3
85.06525	1.6
85.10162	7.9
91.03948	2.4
91.05452	33.0
93.07024	36.6
95.04937	13.1
95.08575	26.2
97.06513	1.8
97.10161	3.0
102.62406	1.3
105.06986	20.1
107.04940	1.9
107.08575	9.5
109.10120	7.8
117.06988	2.7
119.08545	13.6
119.23137	1.3
123.08023	1.6
123.11693	1.6
129.06996	10.6
133.10074	9.0
143.08502	3.0
145.10083	5.8
147.08080	2.0
147.11673	19.1
161.13219	3.4
171.11627	16.4
189.12640	2.3
207.13802	12.1
236.96182	1.5
241.09453	1.4
281.17413	39.3
313.27283	42.9
333.82687	1.8
369.00439	1.7
519.40332	100.0
520.40582	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	878.344
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42648	0.2
65.49990	0.2
69.03417	1.8
70.06592	0.2
73.04910	0.2
81.03397	4.0
82.16478	0.2
85.02910	2.4
89.03907	3.4
91.05470	1.2
92.09302	0.3
93.07023	0.4
95.04933	0.3
97.02862	1.1
99.04442	1.3
103.05464	0.5
105.07066	0.4
107.04939	0.4
107.08658	0.2
109.02238	0.2
109.02865	2.0
117.03368	15.4
119.04929	1.4
121.02823	0.3
122.03690	0.3
127.03922	1.4
129.07039	0.5
131.04916	1.3
133.10091	0.3
134.03635	0.3
135.04417	1.0
135.08008	0.3
137.05952	6.6
145.02840	65.5
145.10081	0.3
146.03204	0.5
147.04407	0.9
149.05960	8.1
151.07533	2.8
161.05930	0.9
162.03058	0.4
163.03889	1.1
163.07567	2.7
165.07018	0.3
167.08427	0.3
175.07423	0.8
177.05446	100.0
177.08731	3.2
178.05779	0.6
186.05450	0.5
189.09114	0.6
189.69670	0.2
193.06412	0.3
195.06448	1.0
195.08093	0.5
221.05962	0.3
221.09665	0.4
221.11711	0.5
225.09151	0.2
227.10637	1.4
228.92627	0.3
253.08524	0.5
255.10091	1.3
273.26929	0.2
285.11081	0.8
287.12714	1.5
299.12610	0.3
311.12622	0.5
313.14450	0.4
321.09650	4.3
331.15381	2.4
333.11008	0.4
339.10715	7.5
343.15219	0.9
355.14816	0.3
365.13654	0.5
383.14917	6.0
402.84036	0.3
444.82132	0.3
453.66452	0.3
501.15860	0.4
507.19830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05640	0.8
61.02918	8.8
65.03917	1.2
67.05493	44.2
69.03414	1.4
69.07059	20.5
71.04971	1.6
71.08617	24.4
71.83806	0.8
73.02914	4.0
73.93936	0.9
77.36761	1.0
79.05479	25.2
81.07040	60.6
83.04965	4.9
83.08611	16.6
85.02885	10.3
85.06527	2.2
85.10168	12.3
91.03928	6.0
91.05459	11.2
93.07027	39.1
95.04951	4.2
95.08595	30.3
97.02874	6.5
97.06524	7.2
97.10168	7.7
105.07021	4.9
107.08582	18.1
109.06510	1.1
109.10159	12.4
111.08073	4.3
117.07036	4.4
119.08535	1.1
121.10140	14.1
123.11694	1.8
125.09618	1.1
131.08574	6.4
133.10117	6.0
135.11682	5.0
142.40007	1.1
149.13243	22.2
159.11743	8.7
177.12723	4.8
183.74297	1.0
195.13824	5.0
199.58435	1.0
206.49919	1.3
227.12640	1.0
239.23685	1.5
269.17435	74.6
313.27304	55.1
345.48224	1.0
386.11877	1.2
414.84845	1.1
430.36920	1.2
507.40381	100.0
508.40430	2.1
543.27496	1.1
587.46399	1.5
605.46851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	16.1
67.01847	3.4
67.05488	23.4
69.03407	15.4
69.07064	26.7
73.02918	4.1
74.00620	4.4
76.02215	66.3
76.03975	3.4
78.68852	2.9
79.05478	19.3
80.05015	7.5
81.03390	8.1
81.07043	30.9
83.04970	13.7
83.06078	7.7
83.08611	15.5
84.04517	25.0
85.02886	24.9
86.99063	6.5
90.06809	2.9
91.05462	30.9
93.07020	16.5
95.04926	6.1
95.08579	16.4
97.02865	21.2
97.06519	5.2
97.10144	15.3
99.04426	4.1
105.07005	18.6
107.08577	7.8
108.25281	3.8
109.02861	3.8
109.06501	13.6
109.10111	5.7
111.04429	4.9
112.02187	5.9
113.00593	4.1
114.03729	3.0
116.01682	30.4
119.04986	3.2
119.08541	17.6
120.08048	3.6
121.02860	8.2
121.06461	3.6
121.10143	4.8
123.08051	8.4
124.02161	4.2
125.09620	5.5
126.03745	13.3
127.03875	7.4
129.06779	4.0
130.05011	15.0
131.04893	6.3
131.08563	5.1
133.10103	14.2
134.28815	3.2
135.02563	3.5
135.08022	7.2
135.11632	4.9
137.05965	27.5
140.01622	4.3
141.04733	3.6
142.03178	19.8
144.01077	15.2
145.02782	4.0
153.01840	21.7
153.12720	3.8
154.34557	3.4
159.08020	3.8
161.09579	6.3
162.02188	34.8
162.03391	3.8
163.11180	5.2
165.07460	3.6
170.02658	7.8
171.02859	16.4
177.05414	7.0
179.04887	22.9
181.05986	5.0
185.03833	14.8
187.05421	14.9
189.11122	3.7
193.12180	5.6
193.88040	3.4
194.09982	5.6
224.11102	5.0
231.04341	26.1
233.05920	30.0
285.12445	3.8
297.12030	3.6
308.09088	6.9
311.14288	6.7
321.15067	5.3
323.13934	4.0
346.18311	14.8
347.16757	7.5
357.14026	3.6
363.21524	4.3
364.19363	4.9
389.10196	13.6
390.10471	18.0
391.10684	13.0
439.21356	3.7
541.10645	4.5
541.25665	23.8
542.11652	19.7
543.11713	22.3
544.12329	28.3
559.26849	100.0
631.28430	18.0
670.29456	18.1
688.30597	20.0
706.32251	97.5
868.37085	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	866.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.2
69.03114	0.2
69.03416	2.9
70.20232	0.1
70.77818	0.1
71.04960	0.7
72.61036	0.2
73.02881	0.4
79.05477	0.9
81.03392	1.3
81.07030	0.3
85.02890	14.9
91.03916	0.4
91.05434	1.4
94.04153	1.2
95.04945	0.4
97.02872	3.6
98.52700	0.2
99.04436	0.4
103.05446	6.1
105.07014	3.0
107.04938	1.1
108.05822	0.2
109.02866	1.4
109.06512	1.3
111.04382	0.2
115.05439	0.4
117.06975	0.9
119.04913	0.3
120.16164	0.2
121.06497	3.1
122.03625	4.3
123.08047	0.3
127.03892	3.0
128.06195	0.3
129.06966	0.8
131.04906	10.1
131.08568	0.2
133.06464	16.8
135.08026	7.4
137.05952	100.0
138.06302	0.4
143.04880	0.4
143.08565	1.3
145.04936	3.1
145.06468	3.7
147.08025	1.2
149.05963	1.0
151.03867	0.7
151.07523	7.0
155.06041	0.3
157.06439	1.9
158.07082	0.2
159.08029	0.4
160.05196	0.3
161.06009	0.2
162.06694	0.3
163.07495	28.2
164.07848	0.3
171.08018	2.5
174.06714	1.3
175.07503	2.8
177.09082	1.1
187.07487	1.0
188.08340	1.1
189.09113	3.5
190.09550	0.3
191.10675	0.2
201.08875	0.3
203.10637	4.6
207.08173	0.2
217.08456	0.2
219.10147	1.0
220.10539	0.3
221.11705	0.3
234.06419	0.2
235.11134	1.1
245.09715	0.4
248.08255	0.3
263.10580	2.0
295.13229	7.4
312.13446	0.2
325.11261	0.4
327.15829	27.6
328.16272	0.3
345.16904	11.9
363.17792	0.4
369.16971	0.2
860.74591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01842	8.2
68.99776	3.7
69.03417	2.7
70.70020	0.4
73.02878	0.5
81.03408	2.8
85.02899	3.0
91.05478	0.6
97.02876	2.3
109.02903	0.8
111.00780	1.0
112.86942	0.4
119.04967	0.7
121.02849	11.7
125.02366	1.0
127.03902	2.3
129.01793	1.0
129.06999	0.5
131.04927	0.6
133.06502	0.8
137.05969	2.8
145.02863	0.8
145.04926	0.5
147.04413	0.8
151.07568	0.4
153.01805	38.7
157.06471	1.0
159.04437	0.8
161.05927	0.6
163.03943	1.8
171.01398	1.0
171.02859	27.3
177.05447	1.9
185.06010	1.7
187.03943	0.6
197.05890	0.4
211.03954	0.7
218.14699	0.4
227.07344	0.6
229.04955	0.9
242.05775	2.1
253.05002	2.7
255.02769	0.5
270.05161	5.8
271.06055	2.3
279.02826	0.5
297.03970	1.0
345.07700	0.6
347.08844	0.6
361.10782	0.7
363.08524	2.2
373.07166	0.5
375.08777	0.6
389.10123	72.1
390.10602	1.9
415.08041	9.0
446.94434	0.4
472.31448	0.5
541.11224	100.0
542.11609	3.9
553.11169	0.5
583.12512	0.9
703.16437	6.9
821.89990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	1.4
67.05518	0.4
69.03417	5.6
73.02875	0.4
73.79165	0.3
81.03391	2.3
81.07011	0.3
85.02890	20.6
87.04446	0.4
91.03926	0.6
91.05466	9.5
95.04934	3.3
97.02880	6.4
99.04424	1.6
103.05462	1.4
105.06991	1.9
106.63615	0.4
107.04938	3.1
109.02859	2.0
109.06505	2.3
111.04426	0.5
115.05432	0.8
117.06934	0.6
119.04922	9.2
121.06496	3.1
122.03632	1.4
123.04401	0.5
123.08022	0.6
127.03902	4.4
128.06238	0.4
129.06982	5.8
131.04932	5.3
131.08531	0.6
133.06406	1.2
135.08015	3.3
136.05128	1.6
137.05952	46.7
138.06311	0.5
143.04883	0.8
145.04951	2.8
145.06482	0.8
146.03636	0.6
147.04376	0.8
147.08023	0.8
148.05098	0.4
149.05962	6.8
150.06764	0.5
151.03864	2.1
151.07520	51.0
153.07060	0.5
157.06468	6.4
160.05133	0.5
161.05952	6.7
161.09592	2.2
162.06729	0.6
163.03871	0.5
163.06078	1.4
163.07503	14.3
165.06961	1.5
165.09088	2.2
167.08487	4.4
174.06776	2.2
175.07518	6.0
177.05447	0.6
177.09053	8.2
178.07719	0.8
179.08482	0.5
181.06358	0.7
183.04366	0.4
183.08098	0.4
187.07324	1.2
189.09050	16.9
191.08395	0.4
193.06445	2.2
193.08511	0.5
193.10078	3.5
195.08032	13.0
195.09888	0.7
196.08748	0.7
197.09630	0.7
201.09024	0.4
205.06496	0.5
205.15718	0.4
207.08322	1.0
207.10155	2.8
209.06102	0.4
209.09550	2.0
210.06735	1.9
211.07498	1.3
212.08279	1.8
219.10225	0.8
221.06049	4.6
221.09555	5.5
221.11720	2.5
222.06625	0.4
223.07550	5.3
224.08347	1.4
225.09012	4.2
226.09798	0.4
227.07220	0.5
227.10626	18.9
227.12898	0.7
230.50365	0.4
231.07866	0.5
231.10149	0.4
234.06870	0.6
235.07484	0.5
237.09048	1.5
238.06175	0.8
239.06905	0.6
239.10649	0.7
240.07660	1.4
241.08467	0.7
241.12239	0.7
249.09050	3.4
251.10634	0.4
252.07831	0.8
253.08563	7.1
253.12199	9.2
254.09241	0.4
255.10117	17.8
261.08960	0.4
265.08640	0.5
267.10071	3.2
269.08054	2.9
269.11768	1.5
272.10349	2.4
281.11700	3.7
284.10291	1.4
285.11136	11.0
287.12729	26.3
293.11679	0.5
297.11206	1.4
298.11899	0.6
299.12674	1.9
301.14377	1.7
311.12711	2.1
313.14261	14.6
325.10922	0.5
331.15326	100.0
332.15720	1.6
343.15344	5.0
390.14551	0.5
428.87198	0.4
442.81009	0.4
551.19165	0.4
890.23615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88870	0.4
66.75446	0.4
68.99801	0.4
69.03423	3.1
73.02921	0.6
81.03393	1.1
81.84912	0.5
85.02882	4.1
91.05465	0.8
93.07023	0.6
97.02882	2.7
99.04469	1.6
103.05436	0.5
109.02873	2.5
111.04374	0.7
119.04932	2.2
119.08495	0.8
121.02843	6.2
121.06505	0.7
127.03912	3.6
131.04854	3.4
133.02733	0.6
133.10074	0.8
137.05949	3.1
145.02849	2.8
145.05040	0.7
147.04384	2.4
151.03900	0.5
153.01820	5.1
163.03963	0.7
163.07532	1.1
171.02910	0.9
177.05450	0.5
179.06935	0.8
197.11774	0.6
225.05455	1.2
242.05856	0.7
269.04526	0.6
270.05176	2.1
279.06668	0.7
283.05914	6.2
307.05997	3.4
308.06787	0.9
311.05389	2.4
319.06082	2.0
321.07404	0.7
331.05893	0.7
333.07568	0.6
335.05313	7.2
345.07657	1.1
347.05435	10.3
359.05228	3.8
375.05109	2.3
376.05893	0.5
377.06516	14.2
387.08417	1.7
403.04364	17.4
421.05441	3.2
497.08557	1.1
539.09601	100.0
540.09845	2.8
581.10474	2.0
701.14819	43.0
739.61310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88870	0.4
66.75446	0.4
68.99801	0.4
69.03423	3.1
73.02921	0.6
81.03393	1.1
81.84912	0.5
85.02882	4.1
91.05465	0.8
93.07023	0.6
97.02882	2.7
99.04469	1.6
103.05436	0.5
109.02873	2.5
111.04374	0.7
119.04932	2.2
119.08495	0.8
121.02843	6.2
121.06505	0.7
127.03912	3.6
131.04854	3.4
133.02733	0.6
133.10074	0.8
137.05949	3.1
145.02849	2.8
145.05040	0.7
147.04384	2.4
151.03900	0.5
153.01820	5.1
163.03963	0.7
163.07532	1.1
171.02910	0.9
177.05450	0.5
179.06935	0.8
197.11774	0.6
225.05455	1.2
242.05856	0.7
269.04526	0.6
270.05176	2.1
279.06668	0.7
283.05914	6.2
307.05997	3.4
308.06787	0.9
311.05389	2.4
319.06082	2.0
321.07404	0.7
331.05893	0.7
333.07568	0.6
335.05313	7.2
345.07657	1.1
347.05435	10.3
359.05228	3.8
375.05109	2.3
376.05893	0.5
377.06516	14.2
387.08417	1.7
403.04364	17.4
421.05441	3.2
497.08557	1.1
539.09601	100.0
540.09845	2.8
581.10474	2.0
701.14819	43.0
739.61310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.2
67.05497	9.9
69.03424	1.6
69.07066	2.8
71.04972	1.2
73.02898	5.9
79.05474	8.6
81.07039	17.1
82.07378	1.0
83.04961	1.2
83.08614	1.5
85.02896	4.3
91.03948	3.9
91.05460	6.5
93.07024	8.5
95.04970	1.1
95.08582	7.8
97.02895	4.4
97.06499	1.6
101.02385	1.7
104.77802	0.7
105.06988	5.6
107.08593	5.7
109.06512	1.0
109.10189	1.8
111.08044	0.8
115.23425	0.7
117.07036	0.8
119.08609	3.9
121.10156	3.3
122.10564	0.7
123.11679	0.9
127.03907	1.4
131.08545	1.6
133.10133	1.2
135.11693	1.6
145.10107	1.2
147.11734	3.0
149.13258	0.9
159.11697	1.5
163.11244	0.9
172.42151	0.8
185.04207	1.0
243.08385	3.8
269.17566	3.2
282.62939	0.7
306.13806	0.8
307.22623	2.3
308.23193	1.3
313.08978	1.1
333.20468	5.6
389.22842	1.3
423.19986	1.0
441.33344	0.8
481.20819	0.8
484.73236	1.0
486.23740	0.8
501.35828	5.3
502.36157	6.1
551.28101	14.2
623.29938	1.0
860.47778	1.4
861.49481	100.0
862.50098	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	9.8
65.65762	2.2
67.05490	4.8
69.07057	2.3
79.05479	2.7
79.40277	1.7
81.07047	5.1
83.08588	2.0
85.47124	1.8
89.45818	2.2
93.06997	4.9
95.08607	3.4
97.02900	2.8
101.02393	2.1
106.76630	2.3
127.03951	2.5
138.15082	2.1
141.28740	2.4
185.04225	3.2
243.08311	2.7
301.08948	10.7
369.14981	2.4
385.17987	3.7
519.29004	9.0
578.29871	2.8
591.30341	3.6
717.41351	3.5
744.00922	2.9
861.49384	100.0
862.48541	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	861.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	6.5
67.05490	6.0
69.03428	2.6
69.07050	2.3
71.01360	1.2
73.02901	5.2
79.05477	5.9
81.03415	2.1
81.07039	6.3
84.45425	1.3
85.02897	5.6
86.28467	1.4
91.03932	3.1
93.07030	3.2
95.04913	1.3
95.08602	2.8
97.02872	7.5
119.80641	1.4
121.10163	2.5
131.08534	1.5
168.56720	1.3
172.34906	1.2
218.87621	1.4
243.08369	4.9
301.09073	1.9
316.48203	1.6
321.16556	2.1
365.19482	1.6
396.62888	1.5
519.29242	6.5
525.83801	1.4
717.41895	2.7
861.49402	100.0
862.49768	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	862.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.0
66.76942	0.8
67.01858	10.8
67.05507	5.5
68.99781	4.0
69.03421	20.2
69.07037	0.9
70.06584	1.0
71.04982	4.0
73.02911	9.9
73.22842	0.9
79.05477	3.6
80.85728	0.8
81.03403	33.6
81.07043	2.0
83.04984	4.2
84.75035	0.9
85.02895	55.9
87.04456	1.4
91.05476	4.0
91.92420	0.9
93.07064	1.0
95.04939	7.8
97.02879	36.3
97.06525	1.1
99.04440	40.6
103.03936	17.1
105.07029	4.0
105.73992	0.9
107.04950	2.1
107.08585	1.3
108.08097	6.8
109.02870	62.7
110.02542	1.0
110.06046	1.0
111.00786	1.2
111.04491	1.4
119.04934	4.7
121.02857	2.3
121.06477	4.2
122.06013	5.0
123.04427	2.3
125.02354	3.7
125.05991	1.7
125.11652	0.9
126.05518	1.4
126.09222	1.2
127.03895	78.9
129.01791	2.0
131.04893	1.8
133.10110	1.5
136.07587	5.8
137.05995	6.4
140.07050	33.1
145.02835	1.3
145.04950	13.9
147.04388	21.3
149.06075	1.1
150.09134	5.2
151.03889	1.2
151.07645	0.9
152.07039	35.4
153.01813	100.0
154.08720	1.2
161.05954	1.5
163.07549	1.7
164.07059	8.3
169.04916	2.0
171.02866	93.9
177.01842	2.1
178.08633	20.8
179.03348	2.1
182.08104	31.5
183.02879	1.5
187.05974	6.6
189.05553	1.7
191.03394	4.2
192.10181	3.9
195.02887	31.7
202.08646	1.0
206.08099	38.0
209.07918	1.2
211.06044	4.1
215.03409	3.8
218.08173	3.9
219.02931	6.0
220.09712	4.1
223.69579	0.9
229.07021	2.2
231.06583	1.2
235.05978	1.4
236.09093	4.5
243.02943	3.7
248.09154	25.5
253.07083	4.7
261.03879	7.8
266.10159	10.6
271.08075	8.2
273.07523	53.5
284.11288	13.7
297.07507	2.2
302.12344	4.0
308.11435	1.6
315.08499	11.8
339.08542	2.3
363.08759	5.6
368.13251	1.2
374.12335	1.4
381.09573	5.7
392.13272	2.3
399.10773	1.9
410.14310	3.9
428.15121	1.0
441.01730	1.2
524.87781	1.1
554.18335	5.3
641.12811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4812
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02911	4.5
67.05496	8.0
69.03413	2.2
69.07066	5.6
71.04983	1.4
73.02892	2.1
79.05492	6.4
81.03400	1.9
81.07040	12.9
83.04966	1.4
83.08598	1.8
85.02903	5.4
86.67536	1.1
90.46461	1.2
91.03949	1.4
91.05479	2.2
93.07037	2.0
95.04977	1.6
95.08607	5.0
97.02893	5.5
97.10173	1.7
99.08118	1.4
105.06995	2.2
107.08630	2.7
109.06537	1.4
109.10187	1.8
126.67284	1.1
131.08562	1.6
145.10086	1.5
148.93158	1.1
182.39137	1.3
205.99210	1.2
243.08492	4.8
255.79460	1.3
299.07617	1.3
319.28561	1.4
350.69781	1.4
549.27087	4.4
551.28156	6.9
859.48004	100.0
860.48425	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	859.4808
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02920	3.7
67.05486	4.4
77.79384	2.3
81.03393	2.5
81.07027	12.5
85.02875	5.7
91.05453	5.0
93.07013	5.3
95.04301	2.1
95.08569	3.7
97.02871	2.3
97.12501	2.4
105.07025	3.9
107.08543	3.6
122.49588	2.7
126.07640	2.4
133.10097	4.3
147.11681	4.0
165.70813	2.7
219.02940	2.4
253.07991	3.2
333.20590	4.1
448.89673	3.2
492.08270	2.6
517.84302	3.2
551.27930	6.0
859.48083	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	861.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72208	0.6
60.37198	0.5
61.02912	4.4
64.33305	0.6
67.05483	4.6
69.03412	3.1
69.07053	3.0
70.20961	0.6
73.02895	2.8
79.05474	5.2
81.03395	1.0
81.07034	6.2
83.04964	1.5
83.08610	2.6
85.02901	4.9
85.06508	0.6
90.42999	0.6
91.03953	1.4
91.05460	3.5
92.08708	1.3
93.07032	4.1
93.12068	0.7
95.04957	2.7
95.08609	2.7
97.02884	3.6
97.06477	0.9
99.04457	1.1
99.47327	0.7
101.02352	0.9
102.04860	0.6
105.07053	3.0
107.04945	0.8
107.08569	1.3
109.06553	0.6
109.10145	1.3
111.04485	0.9
117.07011	0.7
119.08584	3.8
121.06485	1.0
121.10149	1.2
123.45528	0.7
127.03904	1.4
133.10136	1.1
145.10114	0.8
147.11765	1.3
148.37296	0.6
149.09576	1.3
156.74673	0.6
158.14603	0.6
163.11208	2.5
196.18240	0.7
199.74626	0.7
243.08409	5.0
322.58072	0.8
333.20071	5.0
389.22980	1.4
447.36612	0.7
551.28235	19.5
552.28381	0.7
623.29913	0.8
818.19543	0.7
861.49493	100.0
862.50140	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55030	1.2
61.02911	2.4
65.03935	2.0
67.05494	100.0
67.13170	1.2
67.20087	1.5
69.03403	2.6
69.07063	13.4
70.61649	1.4
71.04984	2.1
79.05480	51.0
81.03406	9.2
81.07043	64.1
82.36502	1.5
83.04971	7.2
83.08608	15.4
85.02888	12.8
87.04455	2.4
91.05464	24.2
92.08638	4.5
93.00591	1.4
93.07034	43.4
95.04953	6.3
95.08587	34.3
97.02856	1.7
97.06528	6.1
97.07373	1.6
97.10193	12.8
105.07008	13.4
107.05027	2.5
107.08593	21.8
109.10155	50.2
117.07027	8.2
119.08559	15.5
121.10133	16.9
123.11774	1.5
125.09618	9.5
130.87184	1.7
131.08553	9.7
131.09474	1.3
133.10121	6.9
135.11659	10.3
136.50023	1.7
145.10120	9.5
147.11647	2.5
149.13216	6.1
159.11685	2.7
163.11197	6.2
173.11728	9.1
173.13203	2.9
187.14812	1.9
199.13281	2.9
227.12747	1.9
229.14334	31.6
243.21132	2.4
261.22177	7.7
298.57327	1.6
301.16403	9.4
335.25754	51.2
399.23901	10.0
477.35812	2.5
489.35968	11.4
543.36719	2.0
561.38159	5.1
579.39307	2.0
659.45148	12.5
698.83325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	5.3
67.05150	3.5
67.05492	95.0
69.07061	28.5
71.04962	5.5
76.56805	4.1
79.05476	68.5
81.03405	5.4
81.06597	5.7
81.07040	100.0
83.04961	5.4
83.08598	15.0
91.05457	33.1
93.07027	61.2
95.04951	15.1
95.08585	52.6
97.02919	3.5
97.06516	12.5
97.10150	3.4
101.60954	3.4
105.07020	33.5
107.08584	38.1
109.10168	37.1
116.43592	3.9
117.06987	7.7
119.08560	26.8
121.10120	37.6
123.11718	3.9
129.06975	3.5
131.08562	17.8
133.10091	16.1
135.11615	14.6
143.08566	4.5
145.10115	16.1
147.11661	7.0
149.13234	5.0
159.11658	18.3
173.13248	6.5
177.12674	3.9
229.14316	16.9
275.20071	4.9
304.41132	4.1
317.24857	4.6
335.25751	44.6
349.23602	5.6
437.85614	3.9
489.35852	8.0
528.46161	4.2
529.38751	53.7
609.44989	12.9
614.54596	3.5
641.47546	6.4
673.42224	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00487	3.1
67.05502	55.1
69.03409	4.7
69.07055	34.4
71.04980	4.5
79.05481	71.8
81.03408	15.5
81.07054	63.2
83.04964	18.0
83.08606	55.3
85.06542	4.7
91.05467	72.6
93.07021	65.3
95.04945	100.0
95.08578	35.1
97.06499	16.4
97.10144	18.9
99.04434	9.3
104.47039	3.8
105.07005	59.1
107.04933	29.2
107.08582	66.6
109.06480	17.9
109.10134	17.3
111.04437	15.3
111.08075	9.2
117.06998	18.8
119.08587	51.8
120.32588	4.2
121.06488	8.3
121.10108	34.5
123.08048	8.8
125.09615	20.9
129.06958	6.5
131.08536	26.7
133.10103	30.6
135.07982	5.9
135.11661	9.6
137.13370	4.2
143.08572	6.0
145.10130	35.9
147.08069	7.4
147.11673	15.5
149.09586	37.8
153.12714	4.6
157.10156	5.4
159.11636	22.6
161.13249	5.3
163.11116	47.7
176.60860	3.8
177.12730	4.3
189.11140	4.5
195.11212	3.9
223.13226	38.1
223.90486	3.8
227.12729	4.8
257.18872	5.6
275.20007	65.1
293.20969	41.2
349.23697	43.3
367.24777	74.6
585.45435	4.4
614.14758	4.8
623.42590	20.2
641.43793	42.6
645.27380	4.8
659.45215	52.9
868.15930	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	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	59.4
69.07038	28.4
79.05468	61.3
81.03371	6.2
81.07036	100.0
83.04951	18.8
83.08595	18.6
90.34111	4.5
91.05463	72.7
93.07022	57.9
93.22938	4.3
95.04940	28.7
95.08578	30.1
97.06494	9.3
99.01667	4.6
105.07011	28.6
107.04941	17.8
107.08578	37.7
109.06511	12.1
109.10127	20.0
117.07001	25.2
119.08564	26.9
121.06414	5.4
121.10125	9.6
123.08006	6.3
125.09611	6.8
129.07037	5.2
131.08559	23.4
133.10124	20.5
135.08009	5.6
135.11690	19.4
145.10100	19.9
147.11705	18.8
149.09555	19.3
149.77295	4.9
159.11705	10.3
163.11174	11.8
173.09599	5.0
269.17352	8.8
275.20016	26.8
293.20935	7.8
349.23578	26.9
367.24640	25.1
373.46964	5.1
376.65961	5.3
543.36267	7.3
641.43854	21.4
659.44360	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.8
61.39376	2.3
63.97850	2.3
67.05494	100.0
67.82626	2.6
69.03413	4.4
69.07056	40.8
71.04971	5.5
73.02921	3.4
79.05478	60.1
81.03387	11.5
81.07042	84.7
83.04960	11.5
83.08610	17.7
85.02888	4.5
91.05457	49.7
92.09342	6.3
93.07024	73.8
95.04930	23.6
95.08586	55.1
97.02855	4.3
97.06503	15.9
97.10150	13.2
97.92790	2.5
98.34374	2.5
99.04425	3.2
105.07015	33.9
107.04919	10.9
107.08561	36.6
109.06501	11.7
109.10118	32.8
111.04404	3.8
111.08058	6.0
116.04682	3.1
117.06999	12.8
119.08528	23.2
121.06509	3.3
121.10126	28.0
123.08047	6.0
123.11689	5.5
125.09602	3.6
129.05440	14.1
129.06935	4.7
130.26704	2.8
131.08553	20.8
133.10127	10.0
135.08058	2.9
135.11650	10.0
136.08818	3.0
137.09590	15.7
143.08630	3.3
145.06438	2.6
145.10123	16.1
147.11641	11.9
149.13245	3.3
153.09190	2.6
157.08580	11.5
159.08084	2.8
159.11687	11.1
163.28738	2.5
173.09587	3.4
173.11821	2.8
173.13248	4.4
193.12210	15.6
199.14738	2.7
221.11572	2.6
227.12881	3.6
261.22183	6.3
273.18423	10.4
289.17923	12.2
291.19669	3.0
307.18860	3.9
335.25763	60.9
381.22574	4.5
399.23688	33.5
428.32150	3.1
435.31247	3.0
449.55609	2.7
489.35446	4.8
623.43176	5.6
625.44067	16.5
633.62604	3.8
641.43652	17.3
659.45123	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12768	1.1
64.84338	1.0
67.05494	37.1
69.03412	1.9
69.07054	26.2
69.62737	1.0
71.04958	1.9
71.24332	1.1
73.23338	1.2
79.05007	1.1
79.05473	37.2
81.03403	4.6
81.07040	100.0
83.04965	5.2
83.08604	13.3
85.02888	1.3
85.06508	1.2
91.05460	29.5
93.07021	26.9
95.04951	13.1
95.08585	28.9
97.06506	6.9
97.10144	1.6
105.07009	33.0
107.04959	13.1
107.08569	19.5
109.06502	27.8
109.09477	1.2
109.10127	9.6
111.08086	2.5
113.13365	1.2
117.07008	9.7
119.08566	27.0
121.06487	2.9
121.10120	14.2
123.08039	6.1
123.11682	7.3
125.09621	1.3
129.06998	1.9
129.36110	1.1
131.08553	13.5
133.10115	20.0
135.08049	5.4
135.11681	6.6
137.09641	1.5
138.93141	1.0
145.10097	12.1
147.11647	19.0
149.09581	10.7
149.13242	7.2
151.11118	2.0
157.10141	5.3
159.11690	8.9
161.13290	2.0
163.11162	5.4
165.12726	4.9
169.10066	1.7
173.09546	1.8
173.13205	2.5
175.11031	1.5
177.12700	1.5
178.93951	1.2
179.14374	1.6
187.14734	1.7
189.12572	1.5
193.12177	2.5
227.12698	1.6
229.19633	1.4
247.20462	2.2
257.18979	2.8
271.04752	1.3
275.20023	32.8
277.39526	1.2
291.19684	1.3
293.21021	6.8
349.23676	27.5
365.23199	1.3
367.24716	44.1
623.33997	2.0
623.43115	29.3
641.43939	38.2
659.45038	33.8
660.44745	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	856.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	49.4
63.45388	3.2
67.05490	85.2
69.03423	3.9
69.07060	16.4
73.02901	26.7
74.75226	3.7
75.28581	3.2
79.05478	53.1
81.07046	100.0
83.08606	13.6
85.02886	61.6
87.54790	3.9
87.55357	3.2
91.03943	51.1
91.05459	23.7
91.35751	3.7
93.07027	85.6
95.08577	84.7
97.02871	39.5
99.04393	5.2
105.07023	8.8
107.08559	49.9
109.02848	3.8
109.10139	40.6
119.08569	26.8
121.10129	32.5
123.11682	14.6
127.03918	14.0
127.54306	3.6
131.08536	34.5
133.10136	18.1
135.11707	34.9
137.13301	5.0
145.04904	20.8
145.10129	17.7
147.11693	6.3
149.13239	22.3
159.11674	21.5
161.13232	8.7
162.62015	4.0
163.06004	27.1
163.14738	6.6
173.13277	16.2
177.16460	4.9
187.14842	6.0
213.41739	4.1
243.21051	31.5
261.22046	87.9
335.25647	28.8
353.26730	62.1
467.44788	3.8
473.98453	3.9
482.49481	4.1
497.30948	14.8
578.67438	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33157	5.0
64.33466	4.5
65.04453	4.0
67.05493	90.7
69.03419	9.1
69.07052	49.1
71.04979	5.8
79.05478	79.5
81.03387	9.1
81.07034	100.0
83.04954	9.8
83.08597	40.5
85.02888	5.8
86.09687	5.3
87.56093	4.4
91.05466	73.0
93.07016	77.0
95.04952	71.8
95.08572	44.7
97.06522	21.4
97.10143	24.0
99.04419	4.7
105.07015	70.5
106.43111	4.0
107.04926	17.6
107.08580	61.2
109.06494	16.9
109.10134	23.8
111.04379	6.0
111.08035	6.5
112.56194	4.5
114.96928	3.8
117.07010	35.3
119.08571	40.0
121.06454	7.6
121.10109	31.6
123.08073	5.7
125.09574	17.9
129.06966	7.6
131.08537	38.9
133.10107	33.6
135.08037	5.9
135.11674	21.1
145.10062	38.7
147.08034	4.5
147.11673	9.8
147.87468	4.7
149.09641	42.2
149.13211	8.0
157.10083	4.8
159.11681	24.4
161.13194	7.3
163.11136	39.0
165.12691	5.8
165.86639	4.0
169.10005	4.9
171.11650	6.6
177.12700	6.9
184.07278	5.7
189.11275	5.4
223.13249	17.6
227.12671	6.1
257.18893	6.5
269.17444	23.5
275.20056	68.6
293.21042	23.2
349.23676	33.9
367.24780	54.9
470.25620	5.0
539.48999	4.7
543.36700	20.4
561.38068	48.6
623.42847	15.3
641.43701	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	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.9
67.05146	2.7
67.05492	69.2
69.03407	3.7
69.07056	35.6
71.04976	4.4
77.81116	2.0
79.05476	61.8
81.03403	12.6
81.07038	100.0
83.04958	17.9
83.08598	31.3
85.02883	2.9
85.06538	2.6
91.05466	53.2
93.07027	49.8
95.04947	51.6
95.08585	38.3
97.02815	2.4
97.06492	15.7
97.10158	10.0
99.04423	2.6
103.44604	1.6
105.06365	3.0
105.07019	57.2
107.04926	21.0
107.08578	42.3
109.06506	21.6
109.10128	14.5
111.04417	8.1
111.08054	9.0
117.06985	21.1
119.08549	43.2
120.57351	1.6
121.06472	9.1
121.10110	22.9
123.08028	9.9
123.11691	8.1
125.09615	8.2
127.20086	2.0
129.06976	8.7
131.08543	26.4
133.06488	2.0
133.10083	29.2
135.08034	9.8
135.11688	13.3
137.09570	7.4
137.13344	1.8
141.06978	3.2
143.08563	3.1
143.37930	1.9
145.10078	25.8
147.08095	2.6
147.11684	22.5
149.09607	25.6
149.13312	6.1
157.10051	3.4
159.11670	12.5
161.13211	4.0
163.11145	24.4
165.12648	3.0
169.10100	3.5
173.09605	2.1
173.13264	3.6
175.11208	3.2
177.12723	3.6
179.14392	1.9
197.13141	2.1
205.12167	2.8
223.13248	12.1
227.12685	2.1
229.19576	3.9
247.20537	2.6
257.18924	4.4
269.17343	3.4
275.19980	68.0
290.29346	1.8
293.21103	17.6
324.74255	1.8
349.23639	41.9
367.24707	59.1
422.90250	2.1
437.25629	1.9
482.50494	1.8
482.57135	2.2
499.83481	1.7
543.36346	9.0
615.93713	1.7
623.42938	22.4
624.43018	2.0
641.44086	44.6
659.45074	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74028	3.0
65.17106	3.4
67.05489	75.7
67.92207	3.8
68.86616	3.2
69.03403	7.7
69.07045	52.6
71.04962	4.3
71.83329	3.4
79.05476	88.8
81.03398	14.5
81.07032	100.0
83.04961	5.9
83.08614	31.5
85.02882	4.7
91.05459	67.0
93.07027	78.9
95.04954	54.9
95.08566	47.7
97.06505	18.7
97.10155	28.7
105.07007	62.3
107.04928	24.6
107.08575	61.4
109.06499	17.0
109.10140	14.9
111.04441	7.1
111.08104	6.1
117.06994	31.9
119.08561	51.8
121.06501	8.4
121.10119	19.4
123.07978	4.6
123.11626	4.7
124.78917	3.3
125.09615	16.4
129.06964	6.1
131.08556	20.4
133.10132	34.7
135.08031	6.1
135.11661	13.7
139.11111	4.6
143.08563	5.0
145.10086	39.6
147.11684	17.1
149.09608	23.9
149.13243	6.7
157.10107	5.4
159.11670	20.7
161.13197	7.6
163.11130	28.8
169.10051	6.8
171.11609	5.4
173.13275	5.5
177.12711	8.6
184.07465	4.8
189.11182	6.6
189.63426	4.2
223.13297	7.6
227.12651	13.4
257.19009	5.6
269.17480	19.2
275.20020	70.3
293.20990	16.4
303.75256	4.1
349.23499	35.8
367.24716	55.3
444.57950	3.8
452.39719	3.7
479.31598	4.5
521.50110	4.0
525.33527	3.8
543.36517	25.2
547.35815	4.8
561.37506	37.6
623.42902	7.2
641.43829	8.5
659.43964	5.0
715.03204	4.3
814.74298	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	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	11.2
61.79888	2.2
65.03901	2.5
67.05492	51.0
69.03417	11.4
69.07066	29.3
70.86111	2.1
73.02911	4.3
79.05481	35.7
81.03397	10.6
81.06606	3.8
81.07047	75.7
83.04974	9.4
83.08593	16.0
85.02901	10.1
91.03942	3.7
91.05473	45.7
92.08691	5.1
93.07030	37.7
95.04948	21.8
95.08593	27.6
97.02874	14.9
97.06515	11.4
97.10150	4.8
105.07012	28.2
106.34271	2.4
107.04981	17.4
107.08580	24.2
109.02902	2.6
109.06493	13.7
109.10143	21.5
111.04448	3.3
111.08060	4.0
117.07010	11.6
119.08541	23.0
121.06483	9.0
121.10136	10.2
123.07993	3.1
123.11681	2.4
125.09686	2.9
129.06993	5.1
131.08539	18.7
133.06493	2.7
133.10130	21.5
135.08017	3.1
135.11646	4.3
137.09555	8.0
143.08540	5.4
144.64136	2.3
145.10126	12.5
147.11710	11.6
149.09602	13.1
151.11133	5.1
153.37877	2.3
157.10123	4.2
159.11673	9.3
161.09576	4.4
163.11131	4.6
165.12822	2.6
182.76404	2.2
211.78979	2.5
223.13330	18.3
240.29820	2.2
253.14365	10.4
273.18411	11.8
275.20065	19.0
291.19495	57.9
293.21072	2.8
347.09579	2.9
347.22064	3.2
349.23697	16.2
365.23157	41.6
367.24713	14.2
405.13895	3.5
413.17389	4.2
414.17914	3.0
419.88043	2.7
520.29944	3.4
576.23206	3.8
595.64697	2.9
639.42419	37.6
657.43732	29.2
853.44598	13.9
854.45679	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	854.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	12.2
65.03926	2.2
67.05491	28.4
67.05852	1.1
68.22727	0.4
69.03415	7.6
69.07053	9.3
71.01331	0.6
71.04975	7.2
72.75626	0.4
73.02892	3.3
74.36632	0.4
79.05470	33.7
80.09473	0.5
81.03399	100.0
81.07035	39.3
83.04964	26.7
83.05348	0.5
83.08603	37.3
85.02888	51.4
85.06516	3.8
87.04424	0.8
91.03937	7.4
91.05459	48.3
93.06425	0.5
93.07021	24.9
95.04944	40.3
95.08583	14.7
97.02867	11.6
97.06505	6.0
97.10159	6.1
99.04425	1.2
99.08067	2.6
102.16126	0.5
103.05435	1.0
105.07011	34.8
107.04935	13.2
107.08572	11.7
109.02908	1.2
109.06490	6.6
109.10126	3.9
111.04425	4.7
111.08064	17.2
113.05994	3.8
115.03892	0.6
115.05495	3.6
117.07008	0.9
117.95686	0.6
118.47061	0.6
119.04907	2.3
119.08557	30.2
121.06490	4.3
121.10110	13.7
123.08064	4.3
123.11665	2.9
125.09600	2.4
125.85474	0.5
127.03883	4.6
128.06192	0.5
129.05537	0.7
129.06984	18.8
131.04848	0.9
131.08540	19.6
133.06480	5.9
133.10101	18.4
135.08067	0.7
135.11644	0.6
137.05952	2.4
137.09550	1.9
141.06981	0.7
142.07736	3.8
145.02837	0.6
145.04919	2.0
145.10088	4.4
147.04344	0.5
147.07988	5.5
147.11664	22.7
149.09605	10.5
151.11069	0.6
155.08444	0.7
157.10088	24.4
160.70810	0.5
161.09543	0.7
163.05965	2.4
163.11108	2.1
165.12714	5.7
175.09622	1.1
175.11147	27.0
193.08459	0.6
193.12204	66.4
211.13260	69.0
249.14708	0.8
251.57082	0.6
255.50604	0.5
267.15842	37.1
285.16907	65.4
349.21442	0.7
367.22583	2.6
385.23648	4.5
403.24710	1.0
433.26053	1.9
441.26422	1.0
459.27335	33.3
477.21509	0.6
477.28384	37.2
495.29428	92.1
496.29837	1.0
616.21466	0.7
639.33398	2.2
829.93695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	11.6
65.56572	2.4
67.05489	95.8
67.89563	2.4
69.07053	33.2
73.02904	3.6
79.05471	4.1
81.07031	34.2
82.83821	2.2
83.08594	22.4
85.02903	14.5
85.06489	3.5
85.40012	2.3
85.42564	2.3
91.03954	8.9
91.05444	3.9
91.92989	2.4
93.07034	6.3
95.08569	25.5
97.02863	3.4
97.10133	5.3
107.08577	3.7
109.10139	100.0
114.79191	2.4
119.08576	6.3
121.10165	4.6
135.11670	4.3
137.09605	3.5
145.05013	3.6
155.10629	2.9
173.11674	26.1
229.14308	95.2
260.80591	2.4
339.28879	75.9
443.83426	2.7
493.38779	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	9.8
64.41975	0.8
67.05487	10.7
69.03406	3.8
73.02894	7.5
75.55725	0.8
76.56423	1.1
79.05452	3.6
79.07296	0.9
81.03406	2.3
81.07044	5.6
85.02890	7.6
91.03945	7.5
91.05479	2.2
93.07053	1.2
95.08591	1.7
97.02877	10.1
98.19197	1.0
101.02382	2.2
107.08554	1.0
109.02866	1.2
109.10152	7.1
112.16398	1.1
119.08572	1.1
121.10184	1.2
127.03916	2.3
229.14404	1.4
243.08351	1.4
296.43939	1.2
347.09500	3.8
365.10629	1.3
392.17160	1.2
405.13669	6.3
413.17776	12.7
519.29333	5.8
575.22839	11.2
681.34424	5.8
691.40277	2.3
853.45300	100.0
854.45972	2.0
884.87415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	8.9
67.05490	7.7
69.03410	4.2
69.07069	0.5
71.01328	0.7
71.04986	0.6
73.02894	5.2
79.05477	3.4
81.03400	3.1
81.07042	4.6
85.02889	8.5
87.04481	0.5
91.03939	5.3
91.05464	1.0
92.72614	0.5
93.07025	3.9
95.04984	0.6
95.08596	3.2
97.02860	8.2
99.04436	1.2
101.02375	2.8
105.07048	0.6
107.08587	1.0
109.02869	0.6
109.10167	4.0
119.08569	1.1
121.10124	0.8
127.03902	1.3
129.05508	0.6
131.08636	0.7
133.23181	0.6
155.97728	0.5
185.04181	0.8
201.07434	0.6
229.14253	0.6
243.08437	2.5
258.56412	0.7
291.61761	0.6
335.25684	1.1
347.09540	3.4
387.77969	0.6
405.13669	6.8
413.17725	5.6
423.61728	0.6
519.29321	5.3
575.22717	5.1
607.91351	0.6
641.20752	0.6
681.34631	6.1
691.40582	1.2
722.91968	0.6
853.45361	100.0
854.45612	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	850.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.4
67.05486	1.7
69.03438	0.9
69.99070	0.8
70.06581	22.6
70.34473	0.8
71.08605	1.2
83.11113	1.1
88.07607	21.0
102.09170	20.5
121.02852	3.7
125.09583	1.1
139.03909	2.2
147.04500	1.6
149.02328	100.0
149.03314	6.4
175.03889	3.8
177.05434	1.9
191.06979	1.4
193.04926	53.7
219.06485	2.1
237.07524	11.3
256.26300	52.2
256.28995	2.1
258.07834	1.0
313.07089	1.5
341.06717	3.3
350.61703	1.2
385.09100	8.8
411.10602	1.6
577.13208	10.4
585.40125	1.0
621.15399	9.1
850.39862	84.6
851.40228	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	850.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	3.7
59.30310	0.8
61.02914	15.2
62.58227	0.8
65.50302	0.9
67.05494	100.0
68.56042	1.0
69.03425	1.5
69.07059	13.4
71.04977	2.3
71.08621	1.2
73.02903	3.9
79.05484	10.0
81.07039	40.4
83.08605	17.1
85.02896	13.5
85.06528	1.5
91.03938	7.5
91.05453	11.5
93.07022	10.7
95.08585	32.3
97.02877	7.3
97.06532	1.9
97.10159	5.5
102.69598	0.9
105.07025	5.0
105.85616	1.0
107.08572	8.3
109.10146	78.3
111.08072	2.3
119.08572	7.9
121.10151	3.7
123.11686	3.6
127.03837	1.6
133.10120	4.6
135.11713	1.0
137.09639	3.9
137.13338	1.3
147.11667	2.1
155.10683	3.5
161.13242	1.7
163.67139	0.9
173.11705	20.7
189.02182	1.0
227.12798	2.2
229.14313	83.4
245.22450	1.5
263.23709	3.9
268.18127	1.0
337.27332	56.9
348.71429	1.1
389.23969	1.1
448.18188	1.0
491.37234	54.4
509.38089	1.4
640.69879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	4.7
59.52959	1.2
61.02905	10.6
67.05493	100.0
69.03442	1.1
69.07050	16.1
71.04967	2.6
71.43787	1.1
73.02899	2.7
75.92225	1.0
79.05470	10.7
81.07035	43.2
83.08600	11.4
85.02882	11.8
85.06517	1.8
86.14852	1.3
91.03927	5.5
91.05471	11.1
91.23534	1.2
93.07023	9.2
94.20949	1.2
95.08015	1.6
95.08587	31.8
97.02892	8.9
97.06474	1.4
97.10157	1.7
105.07028	5.4
107.08569	7.6
108.03574	1.2
109.10139	71.4
111.08064	2.1
119.08526	9.9
121.10102	2.8
123.11704	2.1
128.41226	1.3
133.10083	2.1
137.09589	2.4
145.04950	1.6
147.11577	1.8
149.13264	1.8
155.10622	4.7
163.05913	1.9
173.11707	18.6
188.75285	1.4
192.09839	1.3
229.14296	74.3
235.62950	1.5
245.22534	1.5
263.23645	2.7
269.53476	1.2
337.27325	39.8
381.72061	1.4
491.37180	48.5
543.24408	1.2
850.55011	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20033	0.7
67.05489	0.8
78.26572	0.6
78.56099	0.7
81.07080	0.7
89.76395	0.8
92.08578	0.8
129.76369	0.8
133.62611	0.7
135.33290	0.8
559.39856	1.0
576.97656	0.8
577.40808	1.5
845.48297	4.0
845.61084	100.0
846.61859	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	847.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	6.4
65.50796	1.3
67.05507	8.8
69.03429	2.7
69.07066	2.6
73.02910	6.2
79.05484	6.2
80.12243	1.3
81.03394	1.6
81.07053	9.0
83.08618	1.3
85.02911	3.6
91.03965	2.8
91.05479	2.9
93.07011	4.7
95.08595	3.2
97.02898	3.2
101.02361	1.8
103.46445	1.4
107.08607	1.9
109.10195	1.7
243.08569	3.6
519.29309	6.7
569.29407	8.1
570.90161	1.9
791.87646	1.9
847.51617	100.0
848.51428	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	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	5.0
61.02916	14.7
65.03923	1.1
67.05492	100.0
69.03394	1.5
69.07053	10.4
71.04970	2.2
71.08602	1.7
73.02895	6.2
76.78902	0.9
77.61097	1.0
79.05473	23.7
79.05899	1.4
81.03433	1.2
81.07040	46.5
83.04996	1.2
83.08600	11.0
85.02908	12.5
85.06532	2.3
91.03943	7.3
91.05458	15.0
93.07021	32.3
95.04955	1.9
95.08586	31.9
97.02879	8.0
97.06515	1.1
97.10169	2.3
98.98460	1.7
105.04461	1.2
105.07038	8.9
107.08580	16.7
109.06453	1.3
109.10145	79.6
111.08092	2.1
117.07001	4.5
119.08545	11.6
121.10123	14.0
122.48651	1.0
123.11689	4.6
127.03908	1.3
127.20506	1.0
131.08534	7.1
133.10117	5.6
135.11661	8.8
137.09599	2.4
137.13208	1.5
145.04965	1.7
145.10150	4.2
147.11655	2.0
149.13231	4.3
155.10654	3.8
159.11661	3.4
161.13263	1.4
163.05986	1.9
163.14809	1.3
173.11736	19.9
173.13194	3.5
227.12732	2.0
229.14304	64.3
236.21461	1.2
243.21129	2.1
261.22058	13.0
313.27255	1.7
314.27722	1.1
324.48621	1.1
335.25751	52.1
339.28775	2.1
340.29477	1.6
358.80975	1.0
390.72571	1.0
445.27112	1.1
471.34692	1.3
477.62646	1.0
489.35681	52.1
489.51245	1.1
490.35745	1.5
507.36630	6.0
675.79156	1.1
848.49786	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	3.9
61.02912	13.4
62.80723	0.5
65.03930	0.8
67.05491	100.0
69.03411	3.3
69.07050	8.3
71.04967	3.9
71.08611	0.7
73.02905	5.8
79.05476	21.0
81.03410	1.0
81.07037	36.3
83.04967	0.6
83.08603	10.6
85.02890	17.9
85.06515	2.8
91.03938	9.4
91.05462	13.6
93.07024	26.9
95.04967	1.3
95.08585	26.6
97.02869	7.5
97.06475	1.0
97.10129	2.2
98.98433	0.7
105.07013	6.2
107.08582	16.3
107.09297	0.9
108.26823	0.5
109.02862	0.7
109.06480	0.8
109.10140	79.3
110.10471	0.7
111.08074	3.8
117.06998	3.0
119.08563	12.2
121.10128	11.1
123.11684	3.7
125.09603	0.9
127.03897	3.3
131.08533	5.9
133.10110	6.0
135.11652	7.4
137.09570	3.7
141.05054	0.6
145.04948	2.5
145.10100	4.1
147.11641	3.4
149.13210	3.8
154.02777	0.6
155.01003	0.5
155.10652	3.6
159.11670	3.5
161.13249	1.1
163.05988	2.7
163.14822	1.2
165.12708	0.9
171.11627	0.8
173.11714	17.9
173.13206	2.3
185.13087	0.6
186.33450	0.5
187.14764	1.0
191.14346	0.6
227.12680	4.0
229.14307	59.4
243.21017	3.4
261.22092	12.0
317.24612	0.9
335.25739	44.1
336.26120	0.7
339.28870	1.0
340.29346	0.6
397.30591	1.1
415.32114	0.7
471.34491	1.0
489.35651	34.6
490.36163	0.7
507.36749	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	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	7.3
67.05492	7.3
69.03410	4.2
69.07051	2.5
72.21774	0.4
73.02901	4.8
79.05481	5.7
81.03415	2.1
81.07042	7.5
83.04995	0.6
85.02890	6.7
91.03931	3.6
91.05451	4.3
92.08704	0.9
93.07030	4.6
94.10437	0.4
95.04943	0.8
95.08613	4.8
97.02878	6.5
97.10183	0.6
97.55821	0.5
99.04440	0.7
101.02408	1.9
103.82335	0.5
105.07037	1.9
107.08609	3.0
109.02866	0.5
109.10182	2.1
115.90115	0.5
117.06925	0.6
119.08580	2.1
121.10148	2.1
127.03924	1.0
131.08580	0.7
133.10091	0.6
135.11713	0.8
147.11794	0.6
147.89023	0.5
185.04286	0.8
203.05157	0.6
203.72861	0.4
243.08488	3.3
292.73755	0.5
335.25851	1.2
349.19849	4.2
519.29315	7.5
567.27795	3.5
591.31427	1.0
605.31964	0.5
716.17993	0.5
747.12134	0.5
845.50049	100.0
846.50366	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	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	5.9
67.05495	18.3
69.03410	4.4
69.07049	7.0
69.19952	1.2
71.04987	0.9
73.02901	5.3
79.05487	6.7
81.07039	15.4
83.08591	2.4
85.02886	4.7
85.06517	1.0
91.03951	3.9
91.05459	7.2
93.07028	9.8
95.08591	9.1
97.02887	3.8
97.06524	1.6
97.10168	1.3
105.07005	4.2
106.44566	1.1
107.08582	5.1
109.10181	5.9
110.10487	1.2
117.06987	1.6
119.08604	1.8
121.10162	2.5
133.10178	1.9
135.11707	1.4
147.11717	1.5
147.48387	1.0
156.34747	1.0
171.11594	1.2
173.11699	1.6
198.66838	1.2
229.14438	5.1
243.08475	1.3
336.63690	1.1
337.27298	1.9
338.27640	1.2
349.19885	5.4
519.29370	3.9
567.27625	2.4
611.47095	1.3
845.50012	100.0
846.50446	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	845.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38785	1.8
67.05488	3.6
77.50661	2.6
79.05479	3.1
81.07040	4.7
83.08612	2.7
89.09016	2.2
95.08607	3.6
96.08946	2.5
107.08573	2.4
121.10147	2.7
131.55135	2.3
136.30594	2.2
143.36702	2.6
164.19579	2.0
190.30441	2.7
312.69598	2.5
500.22449	2.9
717.93085	2.8
845.48059	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	6.1
67.05492	6.7
69.03413	4.2
69.07072	3.4
71.04990	0.7
73.02914	3.6
76.24508	0.5
79.05474	5.3
80.34456	0.5
81.03420	2.9
81.07040	6.6
83.04976	1.0
83.08610	1.2
85.02897	4.8
89.07349	0.6
89.59662	0.5
91.03928	4.1
91.05480	3.9
93.07030	4.8
95.04958	1.0
95.08614	4.1
97.02892	4.9
97.06509	0.6
97.10146	0.9
99.04494	0.7
101.02386	2.0
105.07030	1.3
107.04914	0.5
107.08613	3.5
109.02886	0.9
109.10169	1.1
119.02889	0.5
119.08607	2.2
121.10123	1.2
124.01818	0.5
125.09674	0.6
127.03918	0.8
131.08609	1.3
133.10184	0.9
135.11816	0.6
147.11745	0.5
229.14320	0.7
243.08463	3.6
349.19760	4.4
351.64731	0.6
390.00983	0.7
519.28967	6.0
567.27771	5.8
806.66003	0.7
845.50122	100.0
846.50287	4.3
873.66559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05153	2.8
67.05495	75.6
69.03412	4.6
69.07054	30.5
71.04964	3.1
71.08619	2.9
79.05473	43.6
81.03394	15.8
81.07037	100.0
83.04958	16.8
83.08611	27.8
83.26881	2.6
85.02894	3.9
91.05459	38.0
93.07027	37.0
95.04935	18.1
95.08588	46.6
97.06493	15.5
97.10143	33.4
105.07022	28.4
107.04967	4.0
107.08575	31.0
109.06487	6.2
109.10144	23.8
111.04414	13.3
111.08041	7.3
117.06999	5.5
119.08522	24.0
121.06494	4.2
121.10119	16.8
123.08016	15.9
125.09621	21.1
131.08542	11.3
133.10109	13.9
135.08002	11.2
135.11633	20.4
137.09576	5.4
145.10120	14.9
147.08009	5.5
147.11635	11.0
149.09613	11.5
149.19162	2.9
153.09119	5.1
153.12674	3.6
157.10066	4.1
159.11714	4.0
161.09601	6.9
163.11131	17.7
165.09044	3.2
170.79968	3.0
175.11211	3.8
189.11140	11.7
191.10535	4.3
193.12254	3.7
218.28230	3.2
224.08446	3.1
227.12801	12.3
273.18555	22.2
281.40753	2.9
287.35602	2.8
291.19513	51.8
309.20526	6.5
314.35590	3.2
337.27335	62.9
365.23224	28.8
383.24341	20.1
462.56882	3.3
627.45862	38.4
645.47253	43.7
803.63556	3.7
842.45264	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	842.6707
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84873	3.4
63.91370	3.1
66.87159	2.8
67.05488	64.0
69.07058	43.8
71.05000	3.4
74.02338	3.2
76.70365	3.2
76.79919	3.3
79.05474	31.1
81.07043	100.0
83.04930	4.4
83.08588	23.9
85.02814	3.6
86.98098	3.7
91.05458	19.3
93.07021	52.6
95.04946	4.5
95.08592	93.1
97.06507	6.9
97.10173	6.7
105.07005	17.8
107.08556	25.2
108.03168	3.6
109.10167	38.1
116.96002	3.5
117.07069	3.4
119.08550	16.7
121.10126	31.8
123.11699	4.7
131.08531	16.5
133.10101	21.8
135.11668	17.7
137.13272	4.4
145.10077	8.3
147.11662	5.5
159.11656	3.8
161.13257	3.8
173.59669	3.9
181.99336	3.7
205.19516	4.1
215.17967	6.9
222.42252	3.9
233.18988	20.9
251.19989	43.7
269.21130	15.6
382.47260	4.7
485.39554	5.7
501.39218	16.3
503.40829	27.0
519.40253	13.0
521.41724	17.5
537.41284	19.4
753.60034	7.8
771.60779	18.5
789.62640	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	840.6555
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68512	1.6
67.05492	67.2
69.06711	2.8
69.07055	35.1
71.04977	3.6
79.05473	44.8
81.07040	93.1
82.07341	1.5
83.04969	9.7
83.08594	25.6
83.58047	1.8
85.06521	4.0
91.05444	15.5
93.07024	52.2
95.04949	8.3
95.08582	100.0
97.06502	9.5
97.10152	10.2
99.57898	1.6
105.07010	15.0
105.95969	1.6
107.08570	26.3
109.06454	3.2
109.10148	44.6
111.08045	6.9
113.03389	1.7
119.08540	13.6
121.10123	36.4
123.08027	2.6
123.11686	9.3
131.08548	12.1
133.10106	18.8
135.11658	10.6
137.09572	2.1
137.13242	3.6
139.11172	9.0
145.10158	13.2
147.11609	5.9
149.09586	2.3
149.13246	7.9
151.11082	2.3
159.11635	9.6
161.13211	2.3
163.66408	1.8
167.14217	1.8
173.13231	3.3
173.29987	1.9
175.14909	2.5
187.13176	2.6
215.17949	12.3
233.18971	24.4
251.20001	56.9
252.62242	1.8
269.21103	24.0
274.05591	1.9
384.20190	1.9
465.37180	3.9
483.38214	10.9
501.39215	42.2
519.40387	33.0
537.41406	40.4
747.54291	2.1
769.59857	13.2
787.60931	16.1
805.62225	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	842.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	1.9
61.02906	0.9
65.03951	1.0
65.86019	1.0
66.68002	0.9
67.05492	100.0
68.05839	1.0
69.03412	4.6
69.06717	1.3
69.07052	21.1
71.04968	4.3
72.94422	1.0
73.02867	1.2
77.47463	0.8
77.47985	0.9
78.98514	0.8
79.05473	47.4
81.03387	1.4
81.07038	70.1
83.04955	1.8
83.08611	13.4
84.52440	1.0
85.06521	2.5
91.05460	35.0
93.07021	56.6
95.04961	8.1
95.08583	47.0
97.06516	5.7
97.10134	8.3
99.08081	1.2
105.07012	25.1
107.04935	2.1
107.08580	38.4
109.06522	1.6
109.09393	2.2
109.10139	62.6
111.08071	2.2
117.07015	9.8
119.08562	22.6
121.06481	1.0
121.10126	20.4
123.08023	2.3
123.11680	4.3
125.09634	7.0
129.06950	2.0
131.08531	15.5
133.10100	16.7
135.08015	2.1
135.11690	14.2
137.09604	2.4
143.08652	1.4
145.10092	13.7
147.11656	10.7
147.79124	1.1
149.09579	4.9
149.13257	8.4
155.08516	1.2
157.10165	1.9
159.11705	9.3
161.13237	6.7
163.11162	1.1
163.14774	1.5
171.11607	1.3
173.11690	7.7
173.13264	7.0
175.14734	1.8
177.12654	1.1
187.14771	1.7
189.11072	1.1
227.12749	6.8
229.14291	36.9
229.19295	1.4
239.18022	1.4
243.20966	1.9
254.84258	1.1
257.19012	1.4
261.22021	10.2
269.17389	6.9
275.19968	13.5
293.21136	1.9
335.21902	2.2
335.25729	47.6
349.23721	10.4
349.79523	1.3
367.24689	10.1
457.22491	1.1
471.34259	1.2
489.35760	21.3
507.36551	5.5
523.12628	1.1
529.38690	15.9
553.61890	1.1
569.41669	4.2
609.45227	16.9
627.46204	15.2
780.26563	1.2
856.80005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	1.2
61.02902	2.2
61.80915	0.6
65.03919	3.4
67.05495	72.7
69.03416	6.5
69.07056	28.4
71.04974	4.6
73.02880	0.8
78.26781	0.5
79.05476	64.3
81.03408	12.0
81.07039	100.0
82.07353	0.7
83.04969	15.4
83.08605	18.8
85.02903	6.1
85.06525	3.3
91.05463	40.1
93.07024	59.9
95.04955	21.8
95.08585	45.3
95.71992	0.6
97.02880	1.0
97.06526	9.9
97.10152	27.5
99.04433	1.3
99.08059	3.2
105.04494	1.1
105.07012	32.1
107.04940	13.0
107.08578	37.5
109.06497	11.7
109.10146	18.2
111.04428	16.4
111.08070	7.3
115.05417	1.2
117.07001	16.2
119.04945	0.9
119.08559	31.3
121.06472	8.5
121.10117	23.3
123.04424	0.6
123.08053	23.6
123.11678	3.6
125.05961	1.0
125.09615	20.7
128.06206	0.9
129.06976	8.0
131.08539	20.0
133.06450	3.4
133.10100	14.4
135.08008	8.2
135.11674	13.7
137.09592	5.6
139.11147	2.6
142.07680	1.2
143.08522	7.9
143.10544	0.8
145.06477	0.9
145.10098	19.7
147.08043	10.5
147.11685	10.2
149.09613	7.2
149.13237	5.0
151.11154	1.5
153.09149	4.6
153.12759	6.2
155.08504	2.8
157.10118	6.3
159.08040	1.4
159.11668	8.0
161.09572	7.4
161.13214	3.1
163.11143	14.8
163.14764	2.5
165.09109	3.9
169.10153	0.9
171.10217	1.3
171.11682	4.7
173.09567	3.8
173.13248	3.6
175.11157	4.1
175.14781	0.9
177.12798	1.0
181.10564	0.7
181.12202	8.3
183.11589	0.9
185.09572	1.5
185.13191	2.6
187.11168	1.2
187.14856	0.8
189.11195	13.2
189.12732	1.3
191.10689	4.8
193.12219	3.4
195.11761	1.0
197.13231	0.9
205.12259	0.6
207.08958	0.6
207.13858	0.7
213.16231	0.8
223.13234	3.0
227.12740	10.4
227.17950	1.0
228.73630	0.6
239.17891	0.6
245.18907	1.5
249.14735	2.3
255.17369	2.4
259.20621	0.8
261.22113	4.1
273.18481	21.2
275.19922	0.8
283.15417	1.3
289.21210	0.6
291.19479	51.5
309.20587	9.0
317.24911	1.1
333.24185	0.8
335.25739	56.3
336.26346	0.8
347.22067	4.7
365.23206	25.1
383.24216	22.2
501.35504	0.7
505.35330	0.9
515.38062	0.9
533.39838	0.8
569.41089	0.8
592.48950	0.7
607.43079	3.3
625.44501	35.0
626.45007	0.7
643.45618	38.0
644.46387	2.3
721.90393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	4.1
65.03920	4.6
67.05495	95.0
67.06335	3.4
69.07043	38.7
73.07275	3.8
79.05479	82.5
81.03409	7.5
81.07047	100.0
83.04990	9.5
83.08600	10.7
83.11398	4.0
87.04404	4.0
91.05472	64.5
93.07032	71.9
95.04959	19.3
95.08579	54.0
97.10144	6.9
105.07026	26.3
107.04929	20.7
107.08573	46.0
109.06496	8.1
109.10155	24.9
111.08067	5.8
117.07042	18.1
119.08560	23.1
121.06477	8.8
121.10133	25.7
123.11777	5.9
125.09673	5.1
128.06224	4.8
128.94533	4.3
131.08542	17.2
133.10092	27.2
135.08012	9.5
135.11674	19.9
137.09625	6.6
138.98573	4.0
143.08582	5.9
145.06546	7.2
145.10130	7.6
147.11696	9.4
151.11177	4.5
159.08055	5.2
159.11638	5.0
160.83817	4.0
163.07527	7.5
163.11111	4.5
177.46844	4.2
193.12279	18.6
198.60730	4.2
261.22000	6.4
289.17874	26.0
307.19049	6.8
335.25800	60.9
378.67328	5.1
381.22836	58.6
388.03976	4.8
388.23209	4.8
443.45956	5.3
490.28714	5.0
506.22888	5.5
511.42480	4.4
543.36505	6.0
623.42596	24.1
641.43976	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05630	5.3
61.02908	4.1
65.03943	6.0
67.05492	94.3
69.07052	34.9
71.04993	5.7
79.05479	100.0
81.03393	9.1
81.07037	89.1
83.04971	10.9
83.08611	17.2
87.04453	5.2
89.32199	4.1
91.05467	72.5
93.07019	85.9
95.04955	22.8
95.08597	52.5
97.06516	11.0
97.10145	9.7
105.07033	52.5
105.73638	5.0
107.04941	18.8
107.08580	58.5
109.06491	10.3
109.10149	31.3
110.94882	4.7
111.04430	5.2
115.05470	5.0
117.06977	11.6
119.08569	43.2
121.06488	22.6
121.10106	24.5
123.11697	8.3
125.09679	5.4
129.06995	17.3
131.08577	25.4
133.10124	21.4
135.08061	21.9
135.11662	18.7
143.08530	6.1
145.06432	6.6
145.10159	21.7
149.09579	8.5
159.07999	6.9
187.14783	5.5
216.43753	5.0
255.50819	5.1
261.18475	7.4
261.22012	7.8
271.17093	5.2
286.17276	5.0
288.16147	4.5
289.17957	33.2
307.18970	8.0
335.25784	83.3
363.21915	5.9
381.22772	39.4
436.51025	4.8
543.37109	6.6
618.41010	4.5
623.42969	17.8
641.43903	39.3
662.31403	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	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	1.2
60.60804	1.1
65.03919	2.7
67.05493	82.1
69.03401	2.9
69.07059	28.0
71.04963	5.3
79.05476	83.4
81.03014	1.1
81.03413	14.2
81.07040	100.0
83.04958	14.7
83.08614	19.3
85.02884	6.0
85.06528	2.9
90.68050	1.1
91.05460	46.7
93.07025	70.0
95.04942	23.0
95.08584	50.3
97.02850	1.8
97.06495	10.7
97.10148	23.5
99.04398	1.3
99.08022	1.3
105.07013	36.3
107.04949	10.3
107.08574	43.4
109.02892	1.2
109.06512	12.5
109.10146	20.6
111.04439	13.0
111.08054	5.4
115.05438	1.4
116.51269	1.0
117.06995	17.9
119.04930	1.3
119.08561	35.5
121.06464	11.3
121.10120	32.4
123.08052	16.8
123.11692	4.8
125.09606	19.2
128.06207	2.6
129.06976	8.1
131.08554	20.9
133.06487	2.6
133.10123	17.4
133.11066	1.9
135.08052	7.1
135.11678	19.2
137.09578	7.1
143.08549	6.6
145.06403	1.4
145.10097	20.3
147.07999	9.9
147.11673	11.0
149.09584	7.6
149.13229	5.5
150.33055	1.4
153.09134	1.5
153.12724	4.8
155.08473	2.3
157.06387	1.2
157.10075	5.5
159.07881	1.5
159.11693	9.8
161.09589	6.2
161.13191	2.6
163.11151	16.1
165.09099	2.7
171.10159	1.5
171.11620	2.9
173.09592	4.2
173.13231	4.6
175.11172	5.1
177.12685	2.1
181.10054	1.6
181.12187	6.4
183.11565	1.3
185.13234	2.9
189.11185	8.1
191.10608	2.8
193.12256	1.3
195.40833	1.2
223.13252	1.9
227.12743	11.3
245.18973	2.3
255.17448	1.7
261.22195	2.4
271.09793	1.2
273.18430	24.9
277.32104	1.2
283.15152	1.4
291.19476	38.2
308.04761	1.3
309.20428	2.7
335.25732	72.6
335.29816	2.4
347.22089	5.1
365.23196	26.9
383.24155	16.1
505.35349	1.7
519.59644	1.4
551.93976	1.2
561.37836	2.2
607.43231	1.9
608.66431	1.3
611.21814	1.4
625.29095	1.3
625.44531	38.1
643.45465	32.2
856.55981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	86.2
68.95578	2.3
69.03416	3.4
69.07050	30.0
71.05003	2.7
71.08623	44.9
79.05480	41.1
81.03391	4.7
81.07040	85.5
81.07481	4.5
83.08616	21.7
83.89078	2.5
85.02894	4.0
85.10170	27.8
86.88162	2.4
90.05753	2.1
91.05455	26.2
93.07020	58.2
95.08587	86.4
97.06555	2.5
97.10167	11.3
99.04416	4.0
99.40839	2.5
105.07024	20.6
107.08596	28.9
109.02869	14.6
109.10149	37.9
111.04435	4.5
111.67745	2.3
117.07011	3.3
119.08563	18.1
121.10127	23.1
123.11694	12.3
127.03893	3.7
131.08572	13.4
133.10094	9.9
135.11678	17.8
145.10083	3.1
147.11665	5.0
149.13275	13.7
151.11089	2.5
163.14865	5.5
164.62737	2.1
173.13216	5.1
223.49298	2.5
239.23726	10.0
243.21155	5.4
261.17685	2.5
261.22073	30.3
313.27310	100.0
317.24759	3.4
335.25745	69.9
420.98911	2.4
468.44589	2.5
539.28662	14.1
561.26837	14.8
573.48828	42.4
769.27234	3.3
787.68597	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	8.9
66.29281	2.0
67.05489	52.1
69.03407	3.8
69.07051	23.5
71.04980	9.5
71.13863	1.8
71.77448	2.0
79.05471	46.9
79.23270	1.8
81.03401	67.9
81.07041	80.2
83.04974	16.6
83.08593	27.1
85.02905	27.1
91.03942	4.9
91.05453	40.8
93.07022	50.4
95.04951	23.5
95.08595	19.7
96.19129	1.9
97.02874	5.3
97.06516	11.7
97.10170	4.1
105.07014	27.4
107.04960	9.5
107.08585	21.1
109.06493	8.5
109.10143	5.3
111.08067	14.7
117.07001	3.4
119.08563	14.7
121.06458	2.8
121.10116	19.0
127.03894	4.3
129.07004	11.5
131.08543	16.2
133.10101	14.6
135.11653	3.0
140.07025	2.3
142.07744	3.5
145.04913	2.6
147.11682	12.0
149.09584	5.1
149.13194	19.3
157.10069	12.0
159.11703	4.9
175.11159	14.6
177.12692	2.6
193.12238	41.2
195.13727	3.9
211.13249	34.2
267.15866	27.3
269.17450	41.9
285.16922	21.1
388.45990	2.2
461.28934	85.2
476.53912	2.4
479.29910	100.0
489.57376	2.7
519.27960	2.3
519.41473	2.3
703.87775	2.5
723.57037	2.6
735.89954	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	831.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	9.9
67.05495	6.6
69.03419	6.0
69.07062	1.8
71.08620	1.7
73.02905	6.0
79.05497	0.9
80.47936	0.9
81.03400	3.8
81.07047	4.6
83.08627	1.6
85.02899	8.3
89.05034	1.0
91.03951	4.7
91.05494	1.3
92.09331	2.3
95.08595	4.0
97.02863	7.1
101.02390	3.6
109.10158	5.3
127.03930	2.2
152.83333	1.2
184.07422	4.0
185.04308	1.3
243.08478	1.2
277.04599	1.3
313.27325	1.3
347.09668	2.5
365.10864	1.3
382.91418	1.0
405.13824	6.6
413.17923	6.8
497.30679	8.3
532.01202	1.1
566.14539	1.1
575.23315	6.9
659.36151	8.4
669.41211	1.7
800.15466	1.3
831.46967	100.0
832.47314	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	831.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.9
67.05501	7.4
67.92641	0.8
69.03423	3.2
71.08621	1.0
73.02914	5.4
73.12656	0.7
81.03389	3.0
81.07045	4.0
82.17854	0.7
85.02897	7.3
85.10130	1.0
86.09677	0.8
91.03942	3.9
91.05457	0.9
91.38086	0.7
95.08579	1.5
97.02886	7.4
101.02401	3.3
109.02863	0.9
109.10120	6.7
110.59288	0.7
112.51137	0.8
126.65440	0.9
127.03943	1.8
128.53444	0.8
141.05612	0.8
173.11722	1.5
184.07362	1.8
218.35544	0.8
229.14308	1.0
243.08359	1.5
264.61212	0.8
313.27335	1.2
347.09610	3.1
405.13464	7.8
413.17865	10.1
497.30722	5.4
575.23022	10.7
659.36200	5.8
669.42078	1.8
708.68427	0.8
831.46924	100.0
832.46509	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	6.6
62.03456	0.8
67.05502	6.3
69.03419	4.3
69.07053	4.8
70.93206	0.7
73.02896	6.5
79.05470	5.8
81.03391	1.4
81.07039	7.8
83.08612	1.2
85.02903	6.4
91.03961	1.3
91.05491	4.9
92.08647	2.2
93.07038	3.9
95.08584	6.5
97.02863	1.7
101.02365	1.9
105.07050	2.9
107.08611	3.4
109.02882	0.9
109.10188	1.2
117.07040	1.2
119.08585	1.3
121.10155	1.7
131.08575	1.1
133.10062	1.0
184.07335	1.9
206.24429	0.9
243.08409	3.2
335.21832	3.4
339.53290	0.9
366.25876	0.9
519.29413	4.4
521.30585	1.7
551.28461	1.4
553.30420	2.0
609.31189	1.0
690.50146	1.0
765.57190	1.0
831.52106	100.0
832.52362	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	833.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.0
67.05503	5.3
69.03428	3.0
69.07059	4.3
73.02900	4.2
75.50363	0.7
79.05483	4.4
81.03435	1.1
81.07053	9.7
83.04939	0.7
85.02888	5.3
91.03947	1.6
91.05473	4.2
93.07027	5.8
94.22660	0.7
95.08602	3.5
97.02889	3.2
99.04514	0.9
101.02375	1.1
105.07039	2.9
107.04951	0.8
107.08596	1.2
109.02865	0.8
109.06541	1.1
109.10172	1.1
117.18200	0.7
119.08595	1.7
121.10149	2.8
131.08563	0.9
137.09624	1.1
149.09566	0.8
174.26109	0.7
199.75815	0.7
243.08322	5.5
305.17303	3.5
333.20410	3.2
397.18246	1.1
507.32324	0.8
523.25085	11.1
551.28070	7.7
575.97778	0.8
579.42877	0.8
632.61987	0.7
771.75696	0.8
833.46429	100.0
834.46283	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	833.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04116	0.9
61.02919	8.0
67.05488	5.6
69.03408	1.8
69.07042	3.8
73.02908	1.2
74.57710	1.1
79.05489	2.6
81.03396	1.4
81.07036	9.0
85.02908	4.6
91.05479	2.3
93.07037	2.6
95.08607	1.9
97.02889	2.3
97.33436	1.1
105.07031	2.3
107.08604	1.6
109.10139	1.1
119.08588	1.8
131.08588	1.8
149.09674	2.2
166.91907	1.1
189.72496	1.2
243.08463	4.8
287.37610	1.6
298.06836	1.2
328.05313	1.3
333.20450	2.7
523.25208	14.3
532.77057	1.3
551.28210	7.4
618.88513	1.4
740.29724	1.2
833.46399	100.0
834.45856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73015	1.0
60.31016	0.8
61.02895	1.0
61.05349	0.8
61.89071	0.9
65.03904	1.0
66.24583	0.9
67.05471	5.0
69.03415	17.3
71.04955	6.9
73.02894	9.4
81.03397	29.6
83.04951	6.7
85.02887	45.9
85.06522	2.1
91.05470	1.7
93.07030	5.0
95.08567	17.9
97.02876	22.4
97.03458	1.4
99.04430	50.5
103.03918	24.3
103.05443	1.3
105.07001	4.2
107.08579	4.2
109.02157	1.8
109.02863	52.7
109.06508	2.1
111.91840	1.1
115.03907	1.6
117.06940	1.1
119.04898	1.4
119.08553	8.0
121.06485	14.8
121.10117	3.7
123.04391	1.4
123.08080	8.1
124.09838	1.2
127.03883	100.0
131.04889	2.0
133.06537	1.3
133.10077	1.2
135.11646	1.1
137.05949	2.7
137.09549	1.2
145.04944	18.3
147.04398	2.2
147.07988	1.8
147.11670	2.2
149.09592	22.3
157.04906	1.4
161.13249	4.9
163.05949	2.0
163.07408	1.8
165.12711	1.2
168.79832	1.2
169.04865	1.4
170.22516	1.0
171.11606	1.3
174.10326	1.5
187.05954	10.5
189.12700	10.9
207.13744	30.7
235.05890	1.3
253.07071	5.9
271.08038	12.7
289.09158	12.1
307.10187	2.0
331.10345	1.2
349.11417	1.4
350.22568	1.3
359.18298	1.1
359.23096	1.7
397.11221	6.5
415.12357	12.0
433.13239	13.6
451.14462	8.4
451.19595	1.3
571.19904	1.8
621.24976	1.8
714.35681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.7
63.84882	0.9
67.05498	8.4
69.03416	1.9
69.07055	1.6
73.02899	1.8
79.05472	6.0
81.07051	4.6
83.04937	1.3
83.08611	2.5
85.02901	4.4
91.05468	2.5
92.03447	1.1
93.07046	4.6
95.08599	6.0
97.02885	4.5
97.10166	4.5
100.10956	1.1
103.65942	1.0
105.07059	1.8
107.08571	2.3
109.10226	1.6
121.10113	1.5
125.09633	2.5
161.79576	1.0
184.07312	1.5
189.11348	1.1
193.68587	1.1
207.12743	1.3
243.08347	1.9
333.20203	7.6
335.25943	1.3
349.01349	1.2
421.14734	1.3
519.29181	2.5
551.28400	5.6
557.12054	1.2
828.48029	1.2
829.50537	100.0
830.51752	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96031	0.9
61.02922	6.0
62.21681	1.0
67.05498	7.9
69.03418	2.9
69.07065	2.7
69.80009	1.0
73.02891	2.0
79.05492	7.8
81.03413	1.9
81.07049	9.8
83.08633	1.4
85.02914	5.3
87.10004	1.1
91.03943	2.3
91.05501	2.9
93.07040	4.9
95.04942	1.8
95.08598	6.0
97.02901	5.1
97.10175	3.0
105.07032	2.2
107.08627	2.4
109.10183	1.9
119.08595	1.7
120.16115	1.1
121.10126	2.6
125.09669	2.7
145.10109	1.4
184.07361	1.9
185.04193	1.5
243.08293	1.7
244.81187	1.2
298.59076	1.3
333.20432	6.4
519.29114	4.6
538.22003	1.3
551.28217	8.2
616.78937	1.3
829.50574	100.0
830.50732	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.4
67.05493	6.4
69.03423	3.9
69.07067	1.3
70.64240	0.6
73.02927	3.5
79.05470	5.5
81.03409	0.9
81.07047	6.6
83.08593	0.9
85.02906	5.8
91.03940	3.4
91.05476	3.1
92.08724	0.6
93.07027	5.0
95.04948	0.9
95.08604	4.0
97.02893	4.4
97.06570	0.8
101.02389	1.2
103.03933	0.6
105.07027	1.5
107.08592	3.4
109.10158	1.1
119.08590	1.1
121.10143	1.3
127.03919	1.4
131.08640	0.8
132.49406	0.6
133.10097	0.8
133.58966	0.5
135.11702	1.0
140.46252	0.6
161.13318	0.8
190.21385	0.7
195.31499	0.6
237.44063	0.6
243.08478	3.7
333.20502	3.3
390.20810	0.7
398.89212	0.7
432.02203	0.7
510.32718	0.7
519.29413	6.0
551.28265	4.4
612.15692	0.6
829.50610	100.0
830.51147	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.9
67.05495	5.6
69.03409	3.5
69.07053	2.9
73.02899	4.2
79.05480	6.2
81.03404	2.3
81.07046	8.4
83.08597	0.9
85.02897	5.3
86.19156	0.4
91.03941	3.2
91.05471	3.6
93.07026	4.5
95.08578	3.9
97.02857	4.2
101.02374	2.3
105.07030	2.5
107.08604	2.6
109.06551	0.5
109.10149	2.3
119.08600	0.9
121.10136	0.9
123.11636	0.5
125.28661	0.5
127.03899	0.8
131.08556	1.0
133.10176	0.8
135.11746	0.7
145.10147	0.7
147.11694	0.9
176.96820	0.6
203.05252	0.6
222.69975	0.5
233.82782	0.6
243.08409	3.5
279.05411	0.6
303.19424	0.5
333.20297	4.1
335.26031	0.8
389.23181	0.8
519.29138	5.3
551.28131	6.1
560.44611	0.6
701.42462	0.7
764.94562	0.5
829.50580	100.0
830.50513	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	828.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56650	3.3
63.65260	3.6
67.05493	51.6
67.13248	3.6
69.03417	5.9
69.07061	35.1
71.04967	4.3
79.05483	63.0
81.03413	7.4
81.07047	100.0
83.04990	14.2
83.08606	31.8
85.02908	4.3
91.05471	51.2
92.78191	3.3
93.07024	61.3
95.04958	40.4
95.08595	45.1
96.58764	3.2
97.06527	14.0
97.10159	6.1
105.07014	37.1
107.04953	19.6
107.08588	39.0
109.06498	31.2
109.10156	7.8
111.04446	6.9
111.65688	3.7
117.07009	17.5
119.08555	38.0
121.06433	3.9
121.10124	30.7
123.08068	5.8
131.08572	27.6
133.10129	15.7
135.08034	9.0
135.11702	8.9
137.05951	4.6
137.09610	19.0
143.08569	4.6
145.10120	28.2
147.08101	7.8
147.11688	8.6
149.09592	40.3
151.11249	5.1
155.08644	4.4
159.11720	5.1
163.11188	21.3
171.11629	4.0
187.11142	3.9
219.17448	4.5
223.13307	6.7
229.16223	4.5
231.66013	4.1
247.16908	20.3
275.20065	37.7
282.26425	3.8
321.20569	24.4
339.21588	25.6
349.23825	20.9
367.24908	17.6
595.39685	21.7
613.40961	43.6
631.42004	50.0
740.70367	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	828.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	42.9
68.79972	3.5
69.07055	34.9
71.04988	4.5
79.05481	59.5
81.03406	5.2
81.06602	5.0
81.07042	100.0
83.04966	6.0
83.08605	53.3
91.05475	48.5
92.08775	4.8
93.07027	72.5
95.04939	21.6
95.08600	34.5
97.06483	7.7
105.07012	42.8
107.04921	14.6
107.08580	59.5
109.06522	30.9
109.10155	13.1
111.08046	7.2
117.06994	24.2
119.08569	32.4
121.06486	3.9
121.10120	28.3
123.08063	3.6
125.09563	5.1
129.06958	3.8
131.08565	28.7
133.06540	3.3
133.10097	16.2
135.08041	25.1
135.11681	6.5
137.09607	8.2
141.06978	4.5
145.10114	17.6
147.11644	16.4
149.09613	29.7
149.13242	5.5
151.11147	3.6
153.09160	3.6
159.11694	13.0
163.11133	13.5
173.13129	4.8
174.02415	3.2
177.09024	5.3
187.14864	3.7
201.16394	7.2
208.19931	3.4
219.17412	16.0
247.16896	22.8
265.18057	4.5
275.19980	22.6
309.74359	3.2
321.20456	18.7
339.21637	36.3
349.23605	26.0
367.24683	23.0
425.31488	3.5
515.33264	4.4
533.34906	5.1
595.39606	18.8
613.41083	46.1
631.42041	47.1
780.01166	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	828.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.9
65.03924	1.3
67.05495	34.0
69.03414	2.1
69.07052	20.4
70.61748	0.8
71.04974	5.9
72.90288	0.9
79.05476	38.3
81.03404	4.4
81.07043	100.0
83.04960	4.9
83.08601	10.6
85.02866	1.8
85.06544	1.7
91.05464	29.0
93.07026	31.6
95.04932	9.7
95.08586	26.4
97.02856	1.5
97.06537	7.6
97.10152	1.0
99.08073	1.3
105.07015	20.7
107.04929	12.1
107.08574	13.2
109.05814	1.7
109.06501	31.8
109.10155	9.8
111.08076	1.6
117.06975	9.7
119.08564	24.7
120.77882	1.4
121.06500	7.3
121.10122	15.7
123.04417	1.0
123.08059	8.5
123.11700	4.2
129.06984	2.3
129.77652	0.9
131.08548	13.7
133.06450	2.5
133.10109	11.7
135.08028	11.1
135.11658	4.4
137.09615	10.0
139.11130	1.5
143.08577	1.9
145.06560	1.2
145.10092	12.1
147.08054	1.7
147.11647	7.8
149.09613	13.5
149.13249	2.1
151.07500	1.9
151.11154	2.5
157.10092	1.8
159.11639	4.7
161.09619	1.7
161.13177	1.5
163.11142	6.2
165.09097	2.0
165.12698	1.4
171.11597	1.1
175.11203	1.6
177.12665	2.0
179.10905	1.4
187.11136	1.7
187.14798	1.3
191.14143	1.4
201.16418	2.2
219.17358	1.2
229.19432	1.3
240.40364	1.0
247.16895	7.1
247.20610	1.8
257.19037	1.2
265.17712	1.5
275.20013	18.7
293.21088	1.9
321.20578	14.2
339.21658	26.2
349.23734	16.9
367.24725	14.1
434.58011	1.1
478.75809	1.1
589.73883	1.2
595.39783	20.0
613.40997	35.1
631.42017	31.1
632.42761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	4.7
65.32481	3.0
67.05495	77.0
69.03411	6.3
69.07060	53.2
71.01334	4.1
71.08595	3.4
79.05481	73.9
80.14922	3.8
81.03408	13.0
81.07037	100.0
83.04968	8.7
83.08587	8.9
85.02878	4.1
86.09708	8.6
91.05451	51.5
93.07019	70.7
95.04947	19.8
95.08587	51.9
97.02865	16.4
97.06515	17.3
105.07011	29.4
106.99982	3.2
107.04932	7.3
107.08589	39.0
109.02823	4.7
109.06519	14.3
109.10128	26.4
111.08077	3.5
115.72150	4.3
117.07014	8.2
119.08583	34.1
121.06469	8.1
121.10103	21.7
123.08029	5.8
124.99969	5.1
125.09614	4.0
129.05498	25.0
129.07056	5.4
131.08542	19.1
133.10100	14.3
135.08008	21.2
135.11687	17.7
137.09596	14.9
143.07022	16.7
143.08585	5.6
145.10095	14.4
147.08035	15.1
147.11684	5.6
149.09599	5.7
157.10095	5.7
161.09628	4.5
165.09090	15.6
172.33626	3.3
173.13231	7.5
184.07388	25.0
194.45930	3.7
209.08029	5.6
211.09598	4.0
245.15297	6.9
261.14813	6.1
261.22040	7.9
274.72354	3.5
305.11197	3.9
328.73502	3.7
335.25769	46.3
337.20010	7.2
353.19479	6.8
371.20557	40.7
597.41101	17.8
613.40430	5.1
631.42065	41.4
864.78827	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.2
67.05493	6.5
69.03428	3.1
69.07059	0.9
73.02912	3.4
79.05489	4.6
81.07057	4.1
85.02905	4.4
91.03941	0.9
91.05475	4.4
93.07034	5.2
93.94598	0.8
95.04996	0.8
95.08601	3.3
97.02889	4.1
101.02362	0.9
105.07059	2.5
107.08621	1.8
109.10165	1.6
117.07029	1.7
119.08545	1.8
121.10091	1.4
123.11695	0.8
126.45198	0.8
127.03923	1.2
131.08577	1.4
143.08604	3.1
145.10120	1.2
149.09627	1.1
157.10284	0.7
201.46381	0.8
226.81937	0.8
243.08453	1.5
290.23672	0.8
331.18652	5.7
343.88593	0.8
453.62994	0.8
519.29181	1.7
531.42511	0.9
549.26691	7.4
766.13019	0.9
827.48993	100.0
828.49384	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	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	7.6
67.01018	0.9
67.05489	31.3
68.05833	1.4
69.03413	6.3
69.07049	10.6
71.04979	2.4
73.02898	7.4
75.49867	1.0
79.05468	19.9
80.05822	1.2
81.03401	4.2
81.07039	28.2
81.07481	1.7
82.07379	1.7
82.51791	1.0
83.04991	1.6
83.08603	7.7
85.02908	8.5
85.54595	1.5
91.03951	4.7
91.05475	15.8
91.61157	1.2
93.07023	18.1
95.04979	1.9
95.08579	21.2
97.02869	8.6
97.06531	4.7
97.10158	1.2
97.58646	1.1
101.02395	1.2
105.06995	12.3
107.04947	1.5
107.08591	16.4
109.06442	1.1
109.10160	7.6
117.06995	2.6
119.08582	6.3
121.06551	1.8
121.10132	7.9
123.08072	1.2
123.11689	2.0
125.09653	1.3
131.08556	2.7
133.10150	8.6
135.11693	5.1
145.10178	5.2
147.11716	1.7
149.13203	1.2
159.11627	1.4
161.13324	1.5
189.06152	1.5
205.25342	1.2
225.44859	1.3
243.08498	1.7
257.19092	1.3
275.19833	1.3
313.17731	1.3
331.18967	5.0
337.27252	8.5
338.27750	4.3
349.23816	5.7
350.23950	1.9
519.29248	6.2
531.40533	7.0
532.40729	3.9
549.26959	1.6
611.47028	1.8
612.47211	4.3
809.48071	7.2
827.48981	100.0
828.48987	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	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43299	0.8
61.02912	4.9
62.82950	0.7
67.05498	6.3
69.03411	2.1
71.94085	0.7
73.02903	4.4
76.56022	0.9
79.05487	5.3
81.03431	1.1
81.07048	5.9
81.89213	1.0
85.02484	0.8
85.02882	6.5
91.03952	4.3
91.05462	4.3
93.07037	5.4
95.04971	1.0
95.08605	4.0
97.02892	5.8
105.07004	1.0
107.08588	1.3
109.10147	3.5
119.08620	1.1
131.08578	1.7
145.10095	1.3
184.07426	1.3
197.45506	0.9
223.48752	1.0
243.08426	2.0
331.18756	6.0
519.29407	5.6
549.26886	2.1
827.49030	100.0
828.48853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.6
67.05489	11.8
69.03422	4.0
69.06747	0.5
69.07049	3.8
71.04977	0.8
72.36333	0.4
73.02914	4.6
76.58275	0.4
78.01557	0.4
79.05471	7.1
79.43371	0.4
81.03409	2.6
81.07040	10.0
82.07395	1.0
83.04977	0.9
83.08605	1.0
85.02899	6.1
91.03919	3.8
91.05452	4.6
93.07033	7.1
95.04975	1.0
95.08591	7.1
97.02882	4.4
97.10161	2.1
101.02397	1.0
105.07027	4.1
107.08579	4.6
109.02939	0.8
109.06522	1.0
109.10172	3.0
117.07018	2.1
119.08537	4.0
121.10167	2.5
127.03905	0.8
131.08572	2.2
133.10141	2.2
135.11707	1.2
145.10120	0.9
147.11716	0.9
159.11763	0.6
185.04204	0.7
186.52989	0.5
196.20483	0.5
203.05321	0.6
243.08411	3.3
275.20471	0.7
301.09195	0.6
331.18768	2.7
335.25800	0.6
336.25958	0.7
349.23715	1.1
368.25229	0.7
469.14102	0.6
519.29132	7.5
532.24359	0.6
549.27271	1.2
629.46637	1.0
827.48993	100.0
828.48798	3.5
833.80389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	6.0
67.05491	11.1
69.03415	6.5
69.07051	5.4
71.04983	0.9
72.58513	0.5
73.02911	3.1
79.05476	7.2
79.05872	0.8
81.03410	2.2
81.07037	9.2
82.80095	0.5
83.04973	1.1
83.08610	2.8
85.02892	4.9
91.03954	3.1
91.05460	5.6
93.07027	7.1
95.04953	2.2
95.08582	7.1
97.02868	5.0
97.10168	3.2
98.86670	0.6
99.08113	0.6
101.02354	0.7
102.20842	0.5
105.07011	4.8
107.04977	0.6
107.08553	5.0
109.02898	0.6
109.10166	3.4
117.06999	0.8
119.08589	3.0
121.10142	2.6
125.09630	1.3
127.03938	1.1
130.71986	0.5
131.08559	1.0
132.25587	0.5
133.10121	2.1
135.11714	1.0
135.28656	0.5
145.10126	1.1
147.11673	1.2
149.13287	0.7
159.11731	0.7
170.63258	0.6
185.04152	0.7
223.13333	1.3
243.08463	2.6
291.19516	1.0
314.49796	0.6
331.18860	1.2
335.26074	2.3
337.27374	0.9
338.27386	1.1
519.29169	4.9
549.26337	4.6
827.48993	100.0
828.49152	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.1
67.05493	91.0
69.03416	5.4
69.07053	28.4
71.05002	2.9
71.08624	4.2
79.05478	58.4
81.03395	6.2
81.07042	100.0
83.04982	6.4
83.08613	24.7
85.02886	2.8
91.05463	60.4
93.07031	72.0
95.04945	24.5
95.08591	54.7
97.06483	11.6
97.10172	4.8
105.06367	3.3
105.07024	45.0
106.07364	2.4
107.04945	6.2
107.08577	39.6
109.06519	5.5
109.10133	22.0
111.08056	3.3
112.80117	2.5
117.07006	15.8
119.08553	22.7
121.06501	3.6
121.10159	21.7
122.19792	2.4
123.08107	3.8
123.11683	5.0
125.09604	5.5
129.06995	3.2
131.08536	16.1
132.92612	2.6
133.10118	24.6
135.08009	4.3
135.11678	12.0
137.09599	3.3
143.08568	3.9
145.10123	13.7
147.11703	6.4
148.12001	3.4
149.09605	10.8
149.13275	5.6
151.11172	5.0
159.11688	6.5
161.13194	4.2
163.11162	14.6
171.11626	3.7
223.52599	2.9
269.17477	12.9
272.95807	3.3
275.20062	20.0
276.20172	3.2
277.21475	2.9
335.25702	23.5
336.26044	10.8
337.27151	16.1
349.23630	14.5
350.23865	2.9
364.84650	2.9
367.24649	3.9
368.24850	3.4
529.38635	19.9
610.44781	4.1
611.46191	16.2
628.46344	12.2
629.46246	13.3
639.11200	3.0
827.48230	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	826.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.0
67.05493	99.4
69.03417	9.4
69.07059	46.4
71.04965	1.8
71.08603	2.5
73.02912	1.7
76.79880	1.3
79.05482	59.6
79.05953	2.0
81.03397	9.1
81.07042	100.0
83.04974	8.7
83.08607	24.4
85.02896	3.3
85.06535	2.9
85.92083	1.6
91.05463	40.1
92.64590	1.5
93.07024	57.4
95.04961	13.9
95.08585	68.0
97.02853	6.3
97.06531	12.5
97.10139	21.4
99.04462	1.9
105.07010	39.7
107.04923	7.6
107.08570	43.4
109.06510	7.0
109.10157	23.8
111.08067	3.2
115.05489	1.6
117.06994	16.5
119.08569	25.1
121.06487	5.7
121.10125	19.6
123.08060	2.5
123.11682	9.4
125.09655	12.1
127.03893	3.2
129.07011	3.3
129.44176	1.5
131.08542	16.5
133.10095	23.1
135.11670	11.0
141.06970	1.6
143.08493	5.9
145.10149	14.9
147.11668	16.0
149.09599	10.2
149.13231	6.9
151.11191	2.0
159.11665	12.0
161.13245	6.2
163.11151	6.7
169.10091	1.9
171.11694	2.3
173.13222	3.6
183.11848	1.4
187.14830	1.7
189.11185	3.4
227.12753	18.1
229.14246	1.6
232.69073	1.5
239.17902	1.9
257.18845	2.8
269.17426	10.1
275.20016	22.8
287.42163	1.6
293.21078	2.8
335.25824	14.9
337.27301	40.5
349.23712	24.8
351.24985	1.7
367.24866	2.2
398.95874	1.6
507.37219	2.4
529.38611	9.8
531.40234	3.2
611.46625	44.7
629.47223	9.0
639.03479	1.7
738.94897	1.8
827.48712	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	826.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	39.4
69.03413	6.3
69.07055	59.8
79.05490	31.7
79.12257	3.1
81.07039	45.7
83.08617	27.4
91.05466	8.4
92.09367	6.6
93.07021	25.4
95.08595	30.9
97.02886	3.9
97.10162	20.2
105.07013	18.0
107.04925	4.8
107.08597	21.1
109.10158	25.4
117.07061	7.2
119.08570	14.6
121.10155	7.7
130.71544	3.4
131.08536	7.7
145.10201	4.3
147.07887	3.9
149.09564	4.5
223.13293	22.0
273.18558	5.0
291.19501	99.9
291.22787	4.5
339.28882	59.4
365.23126	57.7
389.38504	4.1
526.78076	4.6
629.47662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	54.8
69.03407	3.1
69.07061	27.8
79.05473	34.2
80.49310	1.7
81.07037	100.0
83.04955	6.8
83.08597	16.2
85.06546	2.8
88.73534	1.9
91.05467	30.2
92.09412	3.2
93.07015	35.0
95.04952	8.5
95.08586	42.9
97.06497	7.9
97.10126	4.5
105.07003	25.4
107.04912	7.6
107.08569	19.2
109.06483	19.5
109.10149	14.5
117.06998	8.9
119.08575	24.7
121.06561	2.2
121.10112	16.0
123.08067	2.8
123.11694	8.0
131.08522	12.6
132.65256	3.0
133.10109	17.4
135.11668	4.7
145.10129	10.2
147.11647	13.5
149.09663	2.8
149.13226	3.1
159.11638	7.1
161.13208	4.3
163.11143	4.4
163.14810	3.3
173.09538	2.3
198.01308	2.2
239.17825	2.3
255.15909	2.4
264.22641	2.1
275.19922	24.8
291.19492	4.4
293.21133	10.0
335.25562	2.7
337.27267	47.1
338.09338	1.8
338.27612	3.0
349.23627	18.9
367.24786	21.3
391.40909	2.1
409.19806	2.4
509.57941	2.4
531.40527	4.7
611.46777	38.9
628.46588	7.8
629.47693	48.9
718.64429	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	5.3
61.02917	18.2
66.07898	0.7
67.05492	85.5
69.03426	1.9
69.07057	7.4
71.04975	1.4
71.08247	1.4
71.08615	25.6
73.02894	5.0
75.68745	0.7
79.05481	1.9
81.03404	0.7
81.07040	22.4
83.08597	16.3
85.02891	16.4
85.06544	1.6
85.10169	15.0
86.09683	1.2
91.03944	8.9
91.05461	5.1
91.88118	0.9
92.09312	3.5
93.07018	5.4
95.08594	23.0
97.02885	8.8
97.10155	5.0
99.11690	1.1
103.07492	1.0
109.10140	95.5
111.08085	4.5
119.08562	6.8
123.11694	4.3
125.00026	1.0
127.03902	3.3
130.28419	0.8
137.09613	3.3
137.13222	1.2
139.23579	1.0
145.04935	3.4
155.10678	4.7
163.06007	3.0
173.11707	23.8
184.07359	1.9
229.14316	69.4
239.23643	3.3
257.24817	1.4
313.27310	84.6
350.75723	1.0
396.88968	1.0
433.33929	0.9
467.37234	100.0
468.37640	1.0
710.40259	1.1
824.12378	1.1
826.48553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	4.6
61.02921	16.1
67.05496	81.0
69.03407	5.1
69.07065	7.3
71.04974	1.3
71.08623	23.3
73.02898	6.1
79.05474	2.0
81.07045	21.5
82.95909	0.9
83.08608	13.0
84.11753	0.9
85.02893	13.9
85.06525	2.1
85.10178	11.5
87.04461	1.0
91.03939	10.1
91.05469	5.9
93.07006	5.3
95.08586	19.4
97.02864	9.2
97.10136	4.3
102.20751	1.1
103.68643	1.0
107.08565	2.3
109.10145	100.0
111.08021	1.8
119.08553	6.2
123.11662	2.0
125.09631	1.0
127.03867	1.4
133.16167	0.9
137.09607	3.9
138.69865	0.9
145.04948	1.9
146.59196	1.1
155.10637	4.6
163.05984	2.0
170.56499	1.0
173.11723	23.9
229.14328	91.7
252.10857	1.1
257.24768	3.9
313.27325	77.5
447.12796	1.3
467.37231	74.3
574.22150	1.2
613.90662	1.2
627.37549	1.0
735.46619	1.0
826.47937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.4
65.03933	2.6
67.05147	2.8
67.05494	82.9
68.03575	1.6
69.03420	7.6
69.07053	39.7
69.69955	1.6
70.57285	1.7
71.04972	4.1
71.08618	3.4
79.05011	1.7
79.05478	55.7
81.03405	7.5
81.07038	100.0
83.04966	10.7
83.08588	15.0
84.69963	2.3
85.02892	3.0
85.06516	2.1
91.05453	41.6
93.07023	45.9
95.04949	12.2
95.08583	52.5
96.13188	1.9
97.06507	12.1
97.10161	8.7
98.09048	1.9
99.08102	2.9
105.07017	29.1
107.04945	8.1
107.08572	33.0
109.06501	4.3
109.10143	23.1
111.08067	2.7
111.11734	1.8
117.07005	12.4
119.08560	23.8
121.06501	2.3
121.10120	15.9
123.08015	1.8
123.11697	7.8
125.09662	3.2
127.03887	2.1
129.06955	3.1
130.07742	2.0
131.08536	13.7
133.10085	13.7
135.08031	3.6
135.11674	11.9
137.09645	2.3
143.08582	3.0
145.10098	8.0
147.08003	2.0
147.11678	12.7
149.09627	8.5
149.13252	10.5
157.10152	2.8
159.11688	11.6
169.10205	1.9
173.13316	2.6
187.92929	1.8
223.14771	1.9
227.12569	3.0
227.17921	2.3
255.15819	2.8
257.18704	2.4
263.23373	1.9
269.17383	15.4
275.20013	10.9
293.21179	4.6
294.21411	3.9
335.25928	2.2
337.27286	40.6
349.23694	13.5
367.24725	4.5
517.38715	9.3
531.40320	45.0
571.43762	2.9
611.46857	22.2
623.54901	2.5
629.47125	11.9
827.48932	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	826.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56713	1.1
67.01859	4.7
67.05511	1.2
68.06453	0.9
68.99769	2.2
69.03418	8.2
69.07061	15.6
70.06557	1.4
71.04975	1.6
73.02881	2.1
81.03415	13.9
81.07014	1.5
83.04980	1.8
83.92343	1.0
85.02898	23.3
91.05450	2.5
93.07037	1.3
93.68768	1.0
95.04919	1.7
97.02883	12.6
99.04440	22.4
103.03946	12.0
105.07021	1.4
107.04934	7.3
109.02868	29.9
109.61834	1.1
119.04921	7.1
121.02805	1.3
121.06486	11.5
123.04402	2.6
127.03891	37.9
131.04932	1.6
133.10187	2.2
135.04364	1.4
137.05957	6.8
141.01776	8.3
144.74828	1.3
145.04988	7.9
147.04391	30.1
153.01810	77.0
163.07571	1.4
165.01807	76.2
171.02856	34.5
177.01781	5.0
177.05440	1.5
177.09102	1.6
179.03326	1.5
183.02864	100.0
187.06017	4.3
189.05283	1.4
191.03419	9.2
195.02847	18.3
202.87297	1.2
207.02834	6.4
211.06085	1.1
215.03285	2.0
219.02814	5.7
221.08072	4.7
225.03932	4.9
231.02835	2.2
237.03857	1.1
239.08989	1.5
243.02765	2.1
253.06912	1.5
261.03860	7.2
271.08176	1.8
273.04416	3.3
273.07516	74.2
285.07532	98.4
289.09259	1.4
291.04965	1.3
297.07559	1.6
306.64285	1.2
315.08524	6.1
327.08661	2.4
339.08698	4.2
341.13788	45.9
351.08664	1.4
375.08484	1.4
381.09674	2.0
383.14584	1.6
411.10904	1.2
433.13318	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	825.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	5.6
65.03921	1.2
67.05494	34.0
69.03414	7.7
69.07056	14.9
71.04981	1.3
73.02912	4.6
79.05478	26.9
80.05798	1.2
81.03418	4.4
81.07039	30.0
83.04973	5.4
83.08601	12.7
85.02902	7.1
91.03946	1.2
91.05460	20.8
93.07034	28.4
95.04954	19.9
95.08588	19.5
96.08915	1.4
97.02866	5.4
97.06528	4.6
97.10162	8.2
99.04453	1.9
105.07019	19.2
107.04969	6.7
107.08576	17.5
109.06532	5.5
109.10122	8.8
111.04433	4.8
111.08074	2.0
117.07000	9.0
119.08570	17.1
120.08923	1.9
121.06482	1.8
121.10120	9.1
123.08074	2.1
125.09622	6.7
129.07030	1.9
131.08572	8.6
133.10138	8.0
135.08044	4.4
135.11707	7.2
137.09657	1.6
141.07083	1.1
143.07420	1.2
143.08549	1.7
145.10095	9.3
147.08054	1.5
147.11662	8.7
149.09598	10.4
149.13272	2.0
155.08582	1.6
159.11748	2.6
161.13272	2.3
163.11087	9.7
173.13330	1.4
187.11209	1.8
189.11192	1.5
223.13335	5.8
243.08508	2.3
275.20071	12.2
276.20654	3.9
289.17905	1.4
293.21091	5.6
294.21384	1.3
307.15298	1.1
329.17078	11.2
335.25958	2.6
337.27710	1.1
349.23666	11.4
350.23944	2.2
360.51163	1.2
367.24777	30.4
368.25183	12.6
385.19839	1.7
519.29425	2.4
547.25073	5.8
566.49902	1.7
609.45184	4.6
610.45874	2.2
627.45734	1.5
825.47394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21877	1.1
60.46152	0.9
61.02913	6.2
64.98444	1.2
67.05494	27.4
67.98264	1.0
69.03428	5.7
69.07055	12.8
71.04984	1.9
73.02914	2.7
79.05470	27.1
80.05814	2.4
81.03411	2.9
81.07040	29.8
82.07386	1.8
83.04978	5.5
83.08611	10.7
83.94379	1.1
85.02908	7.2
86.40031	1.2
91.03969	1.3
91.05456	17.5
93.07027	27.2
94.07347	1.8
95.04946	17.4
95.08588	20.3
96.05293	1.5
97.02850	9.8
97.06523	7.0
97.10155	6.1
99.04465	1.3
105.07005	16.4
106.07381	1.3
107.04950	2.8
107.08572	16.1
109.06486	2.6
109.10148	6.8
111.04433	2.6
111.08033	1.6
117.07041	5.6
119.08576	15.4
121.06514	2.2
121.10152	8.2
122.59595	1.2
123.08057	2.1
123.11674	2.0
123.15037	1.3
125.09623	6.8
127.03870	1.2
129.07018	1.5
131.08571	6.5
133.10126	8.8
134.10458	1.5
135.08029	2.3
135.11691	6.1
143.08618	2.1
145.10127	6.8
146.10561	1.3
147.11696	2.5
149.09642	9.7
157.10172	1.9
159.11691	4.9
161.13271	1.5
163.11211	10.8
171.11700	1.5
173.13237	1.6
177.12723	1.5
198.94077	1.3
223.13297	6.4
227.12804	2.0
243.08324	2.1
275.20074	10.1
276.20544	2.7
293.21234	4.9
299.15973	1.3
329.17053	9.0
335.25760	5.3
349.23807	6.0
350.24161	2.6
367.24713	26.5
368.25098	13.1
519.29474	1.9
520.86383	1.4
547.25281	5.0
609.44775	2.6
610.45660	4.9
627.45605	2.1
825.47449	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49944	1.8
67.05495	44.0
69.03423	8.8
69.07059	43.1
71.04995	2.1
79.05473	28.7
81.03403	2.7
81.07045	50.1
83.04962	3.7
83.08618	18.8
90.72748	1.9
91.05456	26.5
92.08615	3.6
93.07027	26.4
93.51945	2.0
95.04955	8.7
95.08593	40.2
97.02873	10.5
97.06527	2.7
97.10145	16.4
102.66785	2.7
105.07036	16.8
107.04935	4.9
107.08557	20.7
109.10160	14.9
109.79842	1.9
117.06994	10.0
119.08562	21.9
121.06490	3.3
121.10137	9.9
123.08054	2.4
125.09646	10.4
131.08569	4.6
133.06503	3.7
133.10124	4.2
135.11658	3.7
135.36842	2.2
137.09659	2.7
145.10124	8.8
147.08020	3.6
149.13344	2.3
223.13293	21.2
223.16658	2.1
227.12791	5.4
249.14870	2.7
273.18463	10.8
291.14508	2.5
291.19507	100.0
337.27341	49.3
365.23187	48.6
394.40292	2.8
413.10776	2.3
470.28531	2.6
547.39917	2.7
627.36273	3.1
627.46075	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.7
61.02908	4.9
65.03922	4.1
67.05491	100.0
69.03416	7.4
69.07053	49.6
71.04971	5.3
79.05473	89.2
81.03384	10.2
81.07037	94.5
83.04969	10.8
83.08605	21.4
85.02893	8.8
85.06512	3.4
91.05460	61.3
93.07021	81.5
95.04937	12.4
95.08584	56.1
97.02882	4.4
97.06500	13.2
97.10151	24.9
98.27982	0.7
99.04388	1.3
99.08087	1.4
103.05431	2.8
105.04526	0.8
105.07012	63.9
107.04944	10.8
107.08575	56.0
109.02856	0.8
109.06498	9.3
109.10144	27.4
110.58007	0.8
111.04439	1.0
111.08067	4.0
112.38203	0.7
113.09605	1.4
115.00671	0.7
115.05424	1.4
117.06998	20.6
119.08561	40.9
121.06508	5.2
121.10116	28.9
123.08031	4.1
123.11688	5.9
125.09602	20.8
127.03909	1.8
128.06232	3.5
129.07002	5.5
130.07784	1.7
131.08545	27.5
133.06409	0.7
133.10101	29.5
135.08038	6.0
135.11667	18.2
137.09622	3.1
141.07001	1.3
142.07802	1.4
143.08601	5.8
145.06480	1.2
145.10114	27.2
147.08023	1.0
147.11661	17.3
147.79129	0.8
149.09601	17.0
149.13228	8.7
151.11192	1.8
153.09114	1.5
153.12820	0.8
155.08522	3.5
157.10109	7.3
159.08060	0.8
159.11647	16.4
161.13252	9.2
163.11174	11.7
163.14780	3.2
169.10127	4.2
171.10347	0.9
171.11618	5.7
171.15634	0.8
173.13199	9.9
175.11162	1.1
175.14752	1.4
177.12715	3.3
177.16359	1.0
179.14334	3.6
181.10075	1.5
183.11661	4.7
185.13213	1.8
187.14746	1.5
189.11165	7.8
189.12650	0.9
191.14360	0.8
195.11600	1.0
197.13194	2.9
199.14833	1.8
203.17905	1.0
213.16393	1.5
227.12749	24.1
229.14311	3.7
229.19493	3.1
239.17896	2.9
243.21086	0.9
247.20503	1.5
257.19077	5.9
259.20560	3.1
261.22028	6.2
269.17401	1.0
275.20013	31.4
293.21054	1.2
317.24799	3.2
331.22705	1.1
333.23981	1.1
335.25708	45.8
337.27371	1.3
349.23679	40.8
367.24747	7.6
389.18094	1.4
412.76569	0.8
431.31293	1.4
439.91196	1.0
487.33270	1.0
489.35681	3.7
505.35089	1.3
513.39178	1.4
515.36932	4.0
518.67291	0.8
529.38776	3.9
577.14642	0.8
609.45050	45.2
627.45953	6.6
709.34167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77475	0.6
61.02906	1.5
61.70687	0.6
65.03896	2.5
66.68470	0.5
67.05495	60.1
69.03406	1.4
69.07056	24.0
71.04974	2.7
71.25224	0.7
77.44986	0.6
79.05477	44.3
81.03397	2.9
81.07040	100.0
82.07402	0.7
83.04987	4.8
83.08603	13.1
85.02879	3.0
85.06510	1.6
91.05460	34.2
93.07025	45.1
95.04943	10.7
95.08585	44.4
97.02851	0.8
97.06514	8.1
97.10157	3.1
99.08058	1.5
102.19964	0.7
102.49819	0.7
105.04565	0.8
105.07015	27.4
106.13898	0.6
107.04965	5.5
107.08580	27.7
109.06502	16.4
109.10143	17.7
111.08057	4.4
115.05437	1.0
117.07012	8.1
119.08563	24.0
121.06467	3.6
121.10123	19.4
123.08033	4.3
123.11684	7.8
125.09601	0.9
129.06975	3.1
131.08543	12.0
133.09198	0.8
133.10127	17.3
135.08028	1.5
135.11667	9.2
137.09604	1.1
137.13193	0.7
143.08539	2.7
145.10095	11.4
147.11670	15.2
149.09579	5.3
149.13271	6.2
151.11176	1.1
157.10085	3.1
159.11668	8.7
161.13210	5.3
163.11107	4.2
163.14789	1.2
165.12677	1.3
168.05719	0.7
171.11717	1.6
173.13272	3.6
175.14784	0.9
177.12759	1.6
177.16393	1.0
179.14230	0.8
187.14749	1.0
201.12869	0.7
229.19609	1.0
239.17789	0.9
247.20499	1.4
257.19180	0.8
261.22095	4.2
267.15829	0.7
275.20010	20.5
292.19958	0.8
293.21078	6.9
335.25748	70.3
336.25955	1.6
349.23709	13.4
367.24680	20.8
375.57266	0.7
493.08987	0.7
529.38953	0.8
535.41510	1.6
553.42285	1.0
609.45007	34.3
610.44983	1.2
614.38599	0.8
627.36163	1.4
627.46112	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04959	0.8
61.02901	0.9
65.03927	1.1
67.05496	82.7
67.61342	0.8
69.03406	2.4
69.07057	27.5
71.04964	4.9
75.90848	0.9
79.05479	70.6
81.03400	5.4
81.07043	69.5
83.04963	12.2
83.08607	25.6
85.02911	7.3
85.06525	2.3
91.05460	41.6
93.07027	66.5
95.04955	57.0
95.08588	52.1
95.09203	1.8
97.02870	1.5
97.06524	8.2
97.10152	13.9
99.04423	2.1
100.94901	1.2
105.07016	35.8
107.04945	9.4
107.08577	44.5
109.06476	5.0
109.10149	20.1
111.04414	9.5
111.08042	6.2
117.06998	13.8
119.08551	28.4
121.06466	6.7
121.10128	30.6
123.04385	1.0
123.08035	5.7
123.11665	5.0
125.09609	6.2
129.06937	2.4
131.08545	20.4
133.10104	22.2
135.08031	4.8
135.11697	16.3
137.09563	3.2
143.08531	2.0
144.36569	1.1
145.06557	1.3
145.10097	21.7
145.19208	1.0
147.08011	2.0
147.11667	12.6
149.09631	24.0
149.13171	3.7
151.11157	1.9
155.08539	2.0
157.10152	1.3
159.11673	10.5
161.13263	5.9
163.11168	22.5
165.12721	2.2
169.10136	2.0
171.11690	1.7
173.13200	4.2
175.14952	1.2
177.12709	2.1
181.12279	1.2
183.11678	1.9
185.13271	1.3
187.11107	2.0
187.14775	1.5
189.11244	4.1
191.10606	1.4
197.13187	1.8
199.14983	1.2
205.12239	2.5
223.13245	15.8
239.17920	1.8
247.20531	1.1
257.18948	6.7
261.22052	4.7
275.19995	35.0
293.21054	20.1
335.25745	100.0
336.26065	1.5
349.23724	12.9
367.24725	31.8
609.45026	23.4
627.46106	97.0
628.46008	2.2
824.58679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	1.2
60.32706	0.6
61.02913	3.1
64.32892	0.6
65.03922	3.6
67.05492	100.0
69.03422	6.7
69.07054	41.2
71.04974	4.9
71.08616	0.8
73.02917	0.7
77.03939	0.9
79.05474	86.5
81.03403	8.5
81.07037	89.2
83.04957	9.6
83.08608	18.7
85.02871	7.1
85.06529	4.0
87.07391	0.5
91.03936	1.0
91.05462	54.6
93.07024	84.5
95.04948	14.9
95.08585	65.6
97.02866	3.6
97.06505	12.1
97.10151	22.5
99.08056	1.2
103.05488	0.7
105.04492	1.0
105.07012	53.3
105.69862	0.7
107.04939	8.7
107.08575	53.5
109.02854	1.3
109.06509	5.9
109.09399	0.8
109.10143	28.3
111.08057	3.7
117.06996	20.6
119.08567	34.4
121.06468	3.1
121.10120	31.7
123.08058	4.1
123.11683	7.8
125.09604	14.9
127.03872	3.3
128.06200	1.0
129.05457	0.7
129.06996	6.1
131.08540	27.9
133.10097	23.9
135.08047	4.6
135.11671	14.5
137.09573	3.1
137.13272	0.8
139.11145	1.0
141.06967	1.4
143.08546	7.0
143.10730	1.0
144.09390	1.0
145.04962	0.8
145.06409	1.1
145.10112	23.4
147.07976	1.0
147.11656	14.5
149.09595	12.5
149.13246	5.9
151.11113	0.9
155.08517	1.6
157.10112	6.3
159.08064	0.8
159.11649	15.1
161.13240	7.1
163.11143	8.2
163.14798	1.4
165.12730	1.1
169.10094	3.4
171.11655	5.4
173.11708	2.5
173.13226	8.3
175.14757	0.9
176.30977	0.7
177.12698	3.2
179.14294	1.7
183.11681	3.6
185.13268	2.9
187.11082	1.0
187.13312	0.7
187.14842	3.7
189.11194	8.6
189.12680	1.5
197.13188	2.6
199.14691	1.0
201.12646	0.9
201.16412	1.1
209.13251	0.8
211.14828	0.9
215.17924	1.1
219.13486	0.7
223.13213	0.8
227.12730	17.4
227.18198	0.7
229.14331	3.1
229.19460	1.0
239.17996	1.3
243.21097	1.3
247.20538	1.1
257.18994	5.2
261.22113	7.2
269.17285	1.3
275.20010	28.6
293.20935	1.4
313.21548	0.7
317.24631	1.4
331.22662	1.3
333.23932	0.9
335.25717	62.0
336.26025	1.5
349.23636	31.4
367.24670	1.4
368.58167	0.7
370.50241	0.7
431.31531	0.9
489.35672	4.0
505.35092	4.2
515.36884	1.7
529.38794	5.5
546.41260	0.8
609.45044	54.5
627.46301	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.7
65.03896	2.3
66.83620	1.2
67.05498	100.0
68.05825	1.5
69.03412	2.9
69.07062	29.2
71.04980	3.1
73.02898	1.3
76.56367	1.4
79.05480	75.4
81.03395	7.8
81.07044	92.7
82.07384	2.1
83.04962	9.9
83.08616	30.9
84.24737	1.3
84.98086	1.7
85.06532	5.8
90.15765	1.6
90.61343	1.3
91.05466	62.8
92.05750	1.5
93.07028	79.9
95.04960	21.8
95.08591	69.5
97.02863	2.2
97.06496	8.6
97.10148	3.2
105.07019	59.3
107.04958	13.4
107.08591	52.3
109.06477	10.5
109.10146	29.7
111.08063	6.7
117.07004	18.3
119.08567	45.6
121.06490	7.7
121.10126	28.6
123.08084	5.6
123.11677	6.9
125.09640	2.1
129.06992	2.6
131.08543	32.7
133.10109	38.8
135.08018	7.5
135.11668	15.2
137.09596	7.5
139.11163	2.1
143.08575	3.4
145.10112	32.1
147.08008	2.0
147.11705	19.0
149.09613	28.6
149.13246	5.7
151.11124	6.9
155.08568	5.7
157.10075	6.9
159.11668	20.2
161.09554	1.7
161.13268	6.2
162.84348	1.4
163.11169	27.6
163.14839	1.8
165.12671	2.2
169.10126	1.9
171.11673	5.7
173.09738	1.9
173.13248	10.2
175.11189	1.7
175.14745	1.9
177.12726	1.6
183.11649	2.2
185.13235	1.3
187.14803	1.9
197.13231	2.1
229.19482	2.9
230.18774	1.5
239.17911	10.0
247.20415	1.6
257.18979	10.4
261.22006	5.6
275.20038	56.1
277.21542	1.6
284.86353	1.6
291.19330	1.8
293.21188	13.9
335.25748	67.2
336.25961	5.6
349.23697	36.0
367.24719	29.8
471.58649	1.7
553.42206	2.0
609.45209	31.2
626.44067	3.2
627.46100	61.8
824.50470	2.4
847.60376	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	18.2
57.07059	3.3
58.00727	1.8
62.65236	2.1
65.03933	2.8
67.05490	66.5
68.41092	1.9
69.07054	24.5
71.04995	3.1
71.83414	2.4
72.03528	2.3
79.05007	2.8
79.05474	68.4
81.03394	2.3
81.07039	68.8
83.04971	3.1
83.08592	20.4
91.05464	91.7
92.83621	2.0
93.07026	58.7
95.04934	10.8
95.08583	51.7
97.06501	4.3
97.10159	9.4
105.07018	65.5
107.04949	4.0
107.08556	24.3
109.06498	11.0
109.10152	15.1
112.31567	2.1
115.05448	9.3
116.06206	3.6
117.06995	47.0
117.19795	2.1
119.08556	36.7
121.06527	4.2
121.10109	17.2
123.08073	5.0
128.06198	22.5
129.06981	31.4
130.07784	10.7
131.08549	100.0
133.06445	3.5
133.10141	23.4
135.08046	4.0
135.11690	11.5
141.06961	12.0
142.07756	2.9
143.08542	88.9
144.09259	2.6
145.10100	94.8
147.08025	3.3
147.11674	9.9
149.09619	9.0
155.08554	4.7
156.09373	2.6
157.10118	22.4
159.08078	2.4
159.11627	19.5
161.09589	4.8
163.11107	2.5
167.08582	2.9
169.10097	19.0
171.11662	13.7
173.09656	4.5
173.13242	5.0
175.11189	2.9
179.08569	2.8
181.10146	9.4
183.11719	3.6
185.13226	8.7
195.11594	17.7
237.16316	12.3
255.17409	16.5
261.22137	4.2
273.18457	46.7
329.21222	4.1
335.25717	54.0
347.22116	35.8
357.62543	2.5
479.77310	2.6
496.43027	2.5
537.63843	2.5
607.43329	72.0
625.44293	26.5
660.65137	2.5
696.54761	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99300	0.6
58.99575	10.2
61.01131	0.6
68.05004	1.4
69.03450	0.3
69.07045	1.7
69.62288	0.2
70.02926	0.3
72.08127	0.3
73.01104	1.9
74.00645	1.8
74.02420	0.3
76.02209	26.5
76.03989	2.2
79.05464	4.1
80.05022	0.3
81.07037	22.7
82.06563	0.5
83.06103	2.3
84.04488	28.4
84.08137	0.6
84.67931	0.3
85.01116	3.7
85.06551	0.3
86.00639	5.1
86.98549	0.4
86.99034	7.1
87.02666	8.3
88.02215	2.5
88.04050	0.3
93.07017	0.7
94.06541	0.4
95.04950	0.5
95.08573	5.1
96.08095	0.7
97.01104	1.3
97.02849	0.5
97.06503	2.8
98.09670	16.5
99.05545	0.7
99.08076	5.2
101.00592	0.3
102.05511	6.9
105.00050	0.4
105.06399	0.4
105.06990	3.4
107.04923	0.4
108.08083	0.6
110.09666	2.4
111.08073	0.6
112.03952	5.6
113.04209	8.4
114.03719	1.4
114.05547	0.3
115.05763	2.4
116.01654	32.2
122.09646	2.3
123.08048	2.0
123.10435	0.5
127.05756	1.9
129.06529	4.8
129.07283	0.8
130.04070	0.6
130.04977	10.5
130.06824	5.2
130.08606	2.4
133.06468	1.4
137.05937	3.2
139.05757	2.2
142.03217	3.7
142.04962	0.6
143.02716	2.1
144.01125	12.8
145.06013	1.6
145.06947	1.1
153.06564	0.4
156.08405	25.6
156.10168	17.1
157.06801	13.1
160.74872	0.3
162.02170	27.6
165.09102	0.4
170.02690	1.3
174.02231	0.4
174.09447	10.4
179.04813	8.1
181.06107	0.4
187.05385	0.5
188.03743	0.4
189.03261	1.9
191.10757	0.4
199.07130	0.5
210.11162	2.1
213.10582	1.1
215.04843	1.1
216.06860	9.8
233.05856	3.2
242.08366	1.3
245.05965	0.5
257.13855	1.3
259.11053	100.0
260.09271	0.5
260.11621	0.4
277.12103	6.1
285.12607	1.8
291.06494	0.7
308.09076	0.5
313.12128	3.0
331.13156	5.2
388.15341	2.9
406.16333	56.7
407.16638	0.7
593.24109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	11.0
57.07066	1.8
61.02912	1.9
65.03912	4.7
67.05490	100.0
68.13421	1.1
69.03414	5.3
69.07053	25.7
71.04977	6.6
71.08618	1.2
79.05473	61.3
81.03398	7.3
81.07035	94.4
83.04967	16.4
83.08617	9.4
83.87734	1.0
85.02894	2.3
85.06528	4.7
85.38411	1.2
91.05458	72.2
92.08716	1.6
93.07021	66.2
95.04930	16.5
95.08578	45.7
97.02870	1.5
97.06510	7.2
97.10181	2.4
99.08060	1.5
103.05441	1.5
105.04472	1.5
105.07008	57.2
107.04902	9.7
107.08571	51.4
107.43403	1.3
109.06496	8.9
109.10139	63.5
111.08092	1.9
113.06002	2.0
116.10676	1.0
117.07002	12.9
119.08573	22.0
121.06507	4.6
121.10122	19.1
123.08068	2.4
123.11667	12.1
125.74622	1.1
127.07542	1.3
128.06241	1.9
129.06960	2.1
131.08539	19.8
133.06493	5.9
133.10106	63.5
135.08041	6.0
135.11665	14.6
143.08546	6.1
145.06413	1.2
145.10077	8.4
147.07974	2.4
147.11664	6.8
149.09596	6.1
149.13266	2.7
151.11128	22.8
157.10065	1.8
159.08090	2.5
159.11682	6.0
161.09593	5.7
161.13268	4.4
164.70148	1.0
169.12317	1.7
171.11682	2.6
173.13283	2.4
179.10683	1.5
243.20879	1.9
245.19063	1.7
253.14285	57.3
261.22116	5.9
263.19980	1.3
273.18436	12.8
291.19522	11.9
335.25723	56.8
347.22144	2.2
365.23184	21.1
500.52478	1.5
513.35699	4.4
527.62292	1.4
529.35687	2.0
531.36761	21.8
607.43030	7.1
625.44592	59.4
773.90112	1.4
782.51654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	10.8
57.07076	1.5
59.04990	1.3
61.02906	1.1
65.03926	4.2
66.76691	0.8
67.05494	63.9
69.03419	12.3
69.07058	43.8
71.04982	1.4
71.37933	0.8
72.65440	0.7
79.05005	0.9
79.05480	52.6
81.03403	5.8
81.07045	57.3
83.04964	5.2
83.08600	13.8
85.02878	1.6
85.06532	1.1
91.05465	31.9
93.07029	55.3
95.04958	14.6
95.08594	38.0
97.02882	10.5
97.06503	5.2
97.10153	19.6
105.04482	1.2
105.07014	24.6
105.07676	1.6
106.68863	0.9
107.04938	7.9
107.08586	25.0
109.02853	0.9
109.06509	2.3
109.10146	14.0
111.04375	1.0
111.08097	1.9
117.06992	11.4
119.04898	1.0
119.08562	19.3
121.06486	5.6
121.10129	16.3
123.08053	4.0
123.11678	3.9
125.09629	10.1
128.06305	0.9
129.06989	4.9
131.08542	17.9
133.06487	6.2
133.10103	10.0
135.08054	4.0
135.11688	8.7
137.09607	1.7
143.08559	3.7
145.06456	1.4
145.10127	12.8
147.08052	9.2
147.11682	5.9
149.09613	3.7
149.13182	3.3
151.11179	0.9
151.34044	1.0
157.10112	3.7
159.11690	5.7
161.09613	2.0
161.13246	1.3
162.10384	1.8
163.11108	1.0
171.11644	1.2
173.13191	1.6
175.11276	1.0
189.11185	3.8
200.28648	0.9
205.12350	1.6
223.13268	23.8
227.12761	1.8
243.21190	1.3
245.19019	1.0
249.14764	2.1
261.22098	6.3
273.18469	12.9
291.19501	100.0
292.19791	1.0
317.24625	2.0
335.25757	54.2
344.72916	0.9
347.21863	1.4
365.23190	53.2
537.44116	1.0
545.38049	1.9
625.44543	69.6
643.44666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	17.6
57.07056	3.0
59.78191	0.9
61.02907	3.0
65.03924	4.2
67.05492	93.9
69.03416	12.8
69.07055	52.0
71.04968	4.5
79.05475	72.7
81.03423	7.9
81.07039	81.6
83.04963	5.9
83.08605	17.9
85.02890	1.8
85.06525	1.5
91.03954	0.7
91.05460	42.4
92.08572	0.8
92.65331	0.8
93.07024	61.1
94.04138	0.8
95.04949	14.2
95.08582	52.2
97.02871	15.3
97.06537	5.8
97.10148	17.0
99.08101	1.0
105.04492	2.8
105.07018	30.5
107.04938	10.6
107.08577	35.8
109.02867	0.9
109.06504	5.3
109.10140	26.1
111.08065	3.3
117.06995	13.0
119.04885	1.2
119.08554	25.6
121.06465	5.4
121.10134	20.7
123.08045	4.4
123.11666	4.8
125.09601	10.5
129.07024	6.4
129.07803	0.9
131.08553	18.9
132.05800	0.9
133.06456	4.9
133.10101	12.0
134.07280	1.1
135.08032	6.4
135.11665	11.4
137.09619	3.9
141.06886	0.9
142.07774	1.7
143.08580	4.4
145.06476	1.3
145.10132	10.0
147.08008	9.4
147.11656	7.6
149.09576	1.7
149.13275	6.2
155.08519	1.1
157.10127	4.1
159.08005	1.1
159.11678	6.1
161.09605	3.7
161.13184	3.1
162.10352	1.0
163.11159	1.6
169.12260	0.9
171.11708	1.5
173.13264	1.7
175.11105	1.4
177.12741	1.2
184.07408	1.0
185.13264	1.0
189.11182	3.0
193.12192	1.0
205.12238	1.6
223.13269	29.6
227.12683	1.6
243.21083	1.7
249.14810	4.4
261.21973	5.5
273.18439	12.8
291.19489	100.0
309.20990	0.9
317.24680	1.2
335.25757	79.8
347.22366	1.3
365.18567	1.7
365.23175	41.8
460.66901	0.8
505.34576	0.8
545.38306	3.2
607.43359	1.7
625.44513	97.7
626.44775	1.5
643.45923	1.2
831.63397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	7.4
57.07051	2.9
58.76593	2.9
67.05190	4.6
67.05495	70.9
69.03415	13.0
69.07048	23.3
79.05476	77.2
81.07039	77.3
83.04972	7.7
83.08606	53.1
85.02860	3.4
91.05464	70.6
93.07012	55.5
95.04944	4.7
95.08575	36.7
97.10142	80.6
101.69573	3.3
105.07033	28.2
107.08573	59.1
109.10144	15.5
111.08067	4.1
117.06993	52.1
119.08566	91.5
121.10137	4.9
125.09604	81.6
129.06921	3.6
131.08542	15.4
133.10135	5.2
135.08008	17.4
136.96899	3.3
143.08540	3.5
145.06485	38.6
145.10144	14.3
147.08022	3.7
155.08453	6.5
157.10089	4.6
159.08028	18.0
163.07433	3.3
189.11191	44.1
205.20305	3.4
227.12737	100.0
243.17372	5.1
261.22055	13.4
271.16833	54.1
289.17975	19.0
335.25668	40.2
345.20566	8.2
363.21558	16.9
487.33765	4.7
505.34979	13.3
605.41675	34.7
623.42908	74.6
681.82672	3.9
820.46887	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	820.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	6.6
58.42297	2.7
64.32566	3.3
66.35952	2.6
67.05498	69.6
69.03419	13.9
69.07050	19.2
79.05475	67.4
81.07043	62.9
83.08614	45.9
91.05457	57.3
92.09303	7.9
92.93871	3.2
93.07009	56.0
95.04941	5.6
95.08582	29.9
97.10146	91.8
104.91776	2.9
105.07021	20.6
107.04924	4.3
107.08594	51.8
109.06472	4.8
109.10165	17.1
111.08089	3.4
117.06990	43.9
119.08574	74.7
121.06435	3.3
121.10143	13.1
125.09612	64.1
131.08525	16.8
133.10088	7.7
135.08066	18.1
135.11720	12.9
143.08531	6.8
143.10658	3.8
144.32588	3.9
145.06459	38.0
145.10033	3.9
147.07980	5.8
157.10065	4.7
159.08009	19.5
159.11755	4.7
173.13298	3.9
177.31895	3.6
184.07285	4.5
185.63931	4.0
189.11211	32.3
220.98169	3.2
227.12762	100.0
261.22159	6.6
262.71689	3.6
271.16843	51.8
289.17984	13.3
327.70471	3.6
335.25763	31.6
345.20746	5.2
363.21609	21.5
454.01837	3.7
505.35004	15.0
604.21008	4.4
605.41949	24.6
623.42914	65.5
683.04840	3.8
821.49493	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	820.5919
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84887	17.7
67.05495	32.7
69.80698	22.6
92.08610	49.8
98.99081	20.6
159.55669	27.1
202.90881	20.5
215.51628	24.9
307.67484	23.4
335.25735	100.0
441.81897	21.8
619.80975	23.7
637.80029	24.0
750.85846	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
61.02916	7.1
67.05490	9.0
69.03427	5.4
69.07060	1.3
73.02911	6.0
79.05472	8.5
79.50562	1.0
81.03397	1.5
81.07039	9.0
85.02891	8.6
91.03943	2.1
91.05492	3.9
93.07012	7.7
95.08605	4.4
97.02901	5.0
97.10165	1.5
101.02376	1.1
105.07033	1.9
107.08613	3.7
109.10137	1.8
119.08573	1.7
121.10175	4.4
127.03970	1.4
131.08611	1.4
135.11674	1.0
185.04320	1.1
243.08513	4.0
259.83740	0.9
281.07919	1.1
306.84683	1.0
344.86935	0.9
348.27554	1.0
349.19904	5.1
491.26117	8.6
567.27881	3.9
746.13965	1.2
817.46936	100.0
818.47168	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	18.1
57.07074	48.1
64.04187	3.4
67.04565	2.8
67.05494	58.5
69.07056	29.2
71.05009	3.5
71.08613	38.1
79.05480	50.6
81.03397	15.3
81.07040	100.0
83.04981	5.7
83.08605	33.9
85.02876	4.2
85.10160	19.4
91.05460	39.3
92.08731	5.2
93.07033	31.6
95.04941	22.6
95.08594	40.2
97.06506	16.0
97.10143	34.0
99.08029	3.3
105.07018	19.8
107.04945	18.5
107.08578	31.0
109.06497	15.7
109.10152	23.5
111.04445	20.2
111.08077	15.7
111.93466	3.6
117.06992	15.7
119.08549	29.7
121.06550	4.3
121.10129	22.0
123.08050	18.4
125.05963	4.0
125.09589	27.8
129.06998	4.7
131.08537	17.2
133.06364	3.8
133.10123	8.5
135.08023	7.7
135.11728	7.1
141.90869	3.6
145.10115	19.1
147.08034	14.4
147.11632	5.5
149.09543	5.1
153.09068	5.3
153.12683	4.6
161.09618	4.1
163.11166	22.5
165.09135	3.8
173.09450	5.8
173.13199	4.5
175.49042	3.8
189.11171	7.6
191.10658	4.6
198.78720	3.7
223.63559	4.1
227.12762	23.9
247.16704	4.6
265.17850	3.9
265.53720	3.7
273.18369	30.9
291.19464	55.7
309.20572	6.4
313.27319	83.0
339.28763	8.2
365.23151	26.4
383.24139	22.2
573.49475	3.8
603.46088	57.6
621.47101	61.4
623.28253	4.2
818.50311	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	816.546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	14.1
57.88036	5.5
59.84394	5.2
64.71922	5.4
67.05488	62.4
68.76155	5.1
69.07059	76.9
71.08605	34.3
77.01511	5.9
79.05483	62.9
81.03392	13.9
81.07047	100.0
83.08582	28.0
85.02878	6.6
91.05435	43.9
93.07021	63.7
95.08608	49.2
97.06535	10.7
97.10161	7.2
99.08054	11.7
105.07015	41.9
107.04949	13.8
107.08564	62.1
109.10123	12.0
111.04387	8.1
111.08067	22.4
119.08570	14.4
121.06425	6.5
121.10109	30.6
121.66826	6.2
123.11670	7.1
125.05956	8.7
125.09587	15.0
131.08575	12.6
133.10100	11.5
135.08064	8.6
135.11716	8.5
137.09612	8.5
143.06984	30.2
145.10049	9.5
149.09595	23.3
153.09085	30.9
163.11119	8.3
167.10570	8.6
170.90935	6.0
181.73941	9.5
199.09541	6.6
199.62473	5.5
219.17404	31.1
247.16891	33.6
265.17871	59.4
292.87607	5.8
319.86996	6.2
337.27307	74.4
339.21564	41.4
347.05270	5.7
357.22595	9.9
536.59186	6.4
537.60486	6.0
601.44519	54.5
619.45483	63.2
741.78735	6.7
744.16663	7.4
766.58746	6.8
816.48669	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	817.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
72.24629	2.3
73.92618	2.5
81.60704	2.4
97.32035	2.4
120.18015	2.5
136.96538	3.1
181.44951	2.7
217.46037	2.7
228.29700	2.6
532.25262	2.9
604.37231	3.0
634.31299	2.9
817.44757	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	817.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
61.02921	4.6
67.05492	3.9
69.03428	2.8
69.07044	3.9
73.02900	3.8
79.05475	3.5
81.03397	1.3
81.07043	4.9
83.04959	0.5
83.08630	0.6
85.02872	5.7
91.03974	1.1
91.05462	3.2
93.07040	4.2
95.08605	3.3
97.02879	3.6
99.04491	0.9
101.02374	2.1
105.07027	2.3
107.04942	0.7
107.08600	2.8
109.02857	0.8
109.10172	0.8
114.23833	0.5
117.07005	1.1
119.08595	1.0
121.10133	1.1
122.26714	0.5
123.08031	0.9
127.03927	0.8
131.08516	0.6
133.10109	1.0
134.61938	0.6
143.07028	0.9
144.34645	0.5
157.32539	0.5
176.45325	0.6
243.08282	4.1
247.16867	0.5
265.22717	0.7
315.10556	0.8
321.16742	3.2
377.19254	1.2
519.28882	6.4
539.24768	6.9
591.31647	0.6
817.46918	100.0
818.47260	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	816.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
58.55654	1.2
61.02918	1.6
61.87799	1.3
62.86499	1.2
67.05500	5.2
69.03426	20.7
69.07062	12.6
70.06578	1.3
71.04986	7.1
73.02906	7.3
79.05477	6.0
81.03399	34.3
81.07042	10.1
83.04984	3.6
83.08638	1.6
85.02897	51.5
87.04436	2.4
91.05467	7.9
93.07055	12.7
94.97794	1.4
95.04963	2.3
95.08604	11.5
97.02885	27.0
99.04433	55.1
103.03940	21.1
103.05476	2.2
105.07012	16.3
105.67630	1.7
107.08598	13.2
109.02861	56.2
109.10160	2.6
115.03919	1.7
117.07010	2.7
119.04893	2.0
119.08566	57.8
121.06487	23.9
121.10122	7.6
127.03896	100.0
128.24390	1.4
131.08563	1.7
133.06352	1.5
133.10107	65.8
135.08044	1.8
135.11665	6.0
137.05952	3.6
137.09621	5.6
145.04955	21.8
145.06026	2.1
145.10139	6.1
147.11691	13.2
147.30597	1.6
151.03845	1.9
160.12451	2.2
161.06056	1.4
163.06076	3.3
163.07454	1.6
169.04944	2.8
173.13225	2.7
175.14792	65.1
177.05536	1.7
177.16428	1.9
187.05971	10.7
187.07515	1.9
191.14285	14.8
193.15773	1.7
205.07042	1.8
211.05833	2.2
229.08644	2.4
253.06992	3.2
264.31937	1.3
271.08105	14.3
289.09149	11.3
304.45135	1.4
307.10312	1.4
397.11322	5.9
415.12439	10.8
433.13235	13.8
451.14526	2.7
517.16455	1.9
535.53052	1.9
550.54260	1.4
575.20782	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19017	2.1
66.72815	2.1
69.03431	4.4
70.06562	2.6
79.05515	2.9
79.75214	2.2
81.03432	3.1
85.02908	10.3
85.50641	2.0
86.09693	2.7
91.05474	4.5
97.02879	3.5
109.02848	3.4
119.04907	5.6
127.03885	10.3
133.81683	2.1
137.05952	12.8
147.04420	10.2
148.04886	2.3
175.98903	2.1
190.07214	2.6
221.90773	2.4
237.67740	2.3
241.13367	10.4
243.14784	2.7
258.13541	4.3
259.14377	100.0
261.08679	5.6
379.25214	2.2
380.19608	15.0
382.21265	59.6
426.20239	32.7
456.21552	21.4
713.22382	3.2
813.31610	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
57.07062	2.0
60.29644	1.6
61.02923	3.7
65.05991	1.7
67.05483	7.7
69.07028	2.0
73.02916	7.1
79.05481	3.0
81.03384	2.4
81.07037	4.0
85.02921	3.3
91.03919	2.5
91.05468	3.5
93.07013	10.9
95.08585	7.4
97.02891	2.3
98.94389	1.9
101.02383	2.2
105.07027	2.6
107.08598	3.3
133.10147	3.0
184.07367	8.8
217.22635	2.1
453.63885	2.0
519.29407	4.0
535.29297	2.9
813.51141	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	814.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	15.5
57.07055	2.2
57.77358	2.3
67.05495	65.2
68.85809	2.5
69.07060	49.5
71.04981	2.6
73.23709	2.5
79.05475	60.1
81.03413	6.1
81.06595	4.9
81.07046	100.0
83.04978	4.3
83.08590	10.3
86.09686	10.0
91.05472	42.8
91.59024	2.9
92.34460	2.7
93.07024	42.0
95.04946	15.8
95.08588	44.9
97.06504	12.9
97.10155	3.3
102.73695	3.1
105.07034	18.1
107.04913	3.3
107.08589	30.9
109.06532	21.3
109.10145	11.4
111.04481	3.3
117.06998	10.7
119.08573	35.4
121.06500	4.0
121.10113	12.0
123.08042	18.3
125.05968	6.8
125.09595	23.0
129.06944	3.8
131.08537	10.5
133.10147	15.6
135.08047	12.1
135.11700	4.2
137.09604	17.7
139.11223	4.0
143.07069	19.9
145.10109	2.8
147.08026	13.8
149.09618	12.1
153.09090	22.0
157.10120	4.5
161.09589	5.6
165.09090	12.9
184.07393	10.4
189.16417	3.7
195.32785	2.8
199.09555	5.1
199.14838	10.9
217.15880	6.2
245.15343	24.4
263.16370	26.4
281.17346	4.4
319.18924	3.3
337.20157	17.0
337.27240	56.7
355.21201	19.4
418.34128	3.1
581.41650	5.5
599.43127	35.7
617.44122	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	15.4
57.07066	2.9
59.04995	1.7
61.02903	1.4
65.03919	2.7
67.05494	83.3
67.05853	3.5
69.03424	6.3
69.07049	26.8
70.14334	1.4
71.04974	2.9
71.08588	2.2
72.47849	1.4
73.02895	1.4
73.06567	1.4
79.05003	1.8
79.05474	89.3
81.03397	12.5
81.07038	100.0
83.04966	17.6
83.08607	23.1
85.02905	3.4
85.06537	2.6
86.75852	1.5
87.22762	1.5
89.06026	3.6
91.05456	51.4
93.07022	89.1
93.76332	1.5
95.04941	26.6
95.08588	43.3
97.02894	2.9
97.06522	11.3
97.10149	19.6
99.08073	2.9
103.05412	1.8
105.07011	41.0
107.04922	12.7
107.08581	39.7
109.06523	11.2
109.10137	19.9
111.04432	15.4
111.08058	8.9
117.06990	22.6
119.08562	33.9
121.06487	12.8
121.10126	36.3
123.08036	24.9
123.11626	2.4
125.09607	21.6
129.06950	12.3
131.08527	22.5
133.06514	3.2
133.10123	20.7
135.08011	8.5
135.11661	17.8
137.05943	2.5
137.09605	6.0
139.11185	1.6
142.14203	1.4
143.08556	11.2
145.06447	2.4
145.10115	20.4
147.08032	10.5
147.11688	9.3
149.09633	10.8
149.13240	7.0
153.09126	2.0
153.12755	6.4
157.10083	7.5
159.08063	1.6
159.11694	10.0
161.09630	10.9
161.13167	1.8
163.11139	17.8
165.09085	3.0
169.42744	1.4
171.11636	6.0
173.09569	3.2
173.13159	3.1
175.11168	2.8
177.08978	1.8
181.12225	3.3
185.13229	1.9
187.11076	1.7
189.11214	11.2
191.10663	2.6
193.12186	2.0
215.17871	11.0
223.13457	2.5
227.12772	9.5
233.18964	8.0
245.18864	2.7
262.45459	1.4
273.18445	20.6
291.19501	43.6
307.19052	3.3
307.22607	94.0
309.20612	3.5
347.21902	5.6
365.23093	32.4
383.24066	18.9
579.40466	3.1
597.41321	47.0
598.41785	1.9
615.33295	1.9
615.42474	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41719	1.6
61.02919	5.0
62.33898	1.9
67.05493	8.5
69.03426	2.7
69.07053	2.9
73.02917	4.1
79.05490	8.8
81.07064	9.4
84.59306	1.9
85.02918	3.5
91.05480	4.1
92.08607	5.3
93.07040	8.8
95.08614	4.7
97.02879	5.1
99.04449	2.3
105.07016	2.9
117.29189	1.9
119.08618	2.6
121.10151	2.7
131.08606	2.7
135.11685	2.1
136.52359	1.9
167.74554	2.4
243.08427	2.5
315.19360	3.4
360.10254	2.0
459.02032	2.3
519.29163	3.9
533.27313	4.6
802.53204	2.5
811.49524	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	812.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	13.6
57.07059	2.2
61.02913	1.3
65.03915	1.5
67.05492	62.4
69.03407	2.1
69.07054	50.3
71.04980	3.5
73.06527	3.4
79.05473	75.6
81.03413	12.4
81.07037	100.0
83.04965	4.4
83.08603	7.2
85.02882	10.0
91.05461	51.5
93.07021	63.5
94.59562	1.0
95.01306	1.5
95.04940	13.3
95.08585	46.2
97.06501	16.0
97.10116	1.5
99.04427	1.8
99.08071	1.2
100.54728	0.8
105.04459	1.1
105.07007	28.4
107.04934	9.8
107.08578	44.4
109.05809	1.4
109.06500	21.0
109.10145	15.8
111.04414	4.4
111.08049	1.3
115.05423	1.7
115.07581	1.3
117.06994	16.9
119.08554	37.2
121.06478	6.6
121.10122	23.0
123.04387	1.2
123.08040	26.1
123.11681	3.6
125.05994	8.8
125.09605	30.1
128.06140	1.2
129.06984	10.1
131.08531	18.6
133.06450	5.3
133.10094	13.7
135.08044	14.9
135.11662	9.7
137.05945	4.4
137.09598	17.0
142.07733	0.8
143.07016	18.3
143.08578	7.6
145.06490	1.7
145.10106	9.0
147.08031	15.2
147.11687	8.0
149.09616	10.3
149.13237	1.6
151.07509	1.5
151.11150	1.0
153.09091	28.1
155.08533	1.9
157.10123	9.6
159.08002	1.2
159.11678	5.9
161.08087	4.3
161.09599	7.9
161.13231	2.0
163.11143	5.3
164.84291	1.0
165.09111	12.7
171.11667	4.9
173.09671	0.9
173.13237	6.8
175.07515	1.1
175.11183	1.5
175.14783	1.6
177.09106	1.4
181.08539	4.6
181.10016	1.4
183.11630	1.3
185.13229	0.9
187.14771	1.6
189.16260	3.2
199.09630	6.9
199.14777	9.8
201.16437	1.1
203.10710	1.3
203.14197	0.9
209.13121	1.3
217.15829	16.6
219.17444	1.7
227.14320	1.9
243.20987	1.3
245.15303	31.0
251.32954	0.8
255.12181	1.5
261.22046	5.6
263.16367	26.6
281.17441	5.2
317.24432	1.7
319.18979	4.6
335.25732	53.1
337.20020	20.8
355.21051	21.4
356.21481	1.0
419.24979	0.9
523.37903	1.1
533.34741	1.0
579.40118	4.5
597.41364	24.1
615.33167	1.6
615.42419	33.3
804.70428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	10.9
62.03539	7.7
64.33956	6.9
64.99770	6.2
67.05487	58.7
69.07064	11.0
72.76151	6.1
77.20308	6.7
79.05471	29.3
79.90460	7.2
81.07040	57.8
91.05438	13.6
92.08707	17.7
93.07010	47.0
95.08601	27.0
107.08577	9.6
109.10124	10.7
118.86658	6.6
124.11521	6.6
124.21564	7.8
135.25964	8.3
257.18246	8.9
261.21994	12.5
333.24570	8.3
335.25784	100.0
473.41727	9.5
595.47217	13.6
613.48065	12.2
725.78571	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	808.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	16.2
57.07055	3.4
60.04203	1.8
61.02895	2.7
67.05145	3.9
67.05492	100.0
69.07055	26.4
71.04980	3.8
78.13672	1.8
79.05478	97.6
81.07035	83.2
83.08598	11.3
85.02903	3.2
91.04884	4.3
91.05456	84.7
93.07019	91.4
95.04929	13.8
95.08585	64.9
97.10148	3.3
105.04536	2.6
105.07010	74.0
107.08575	47.9
109.06458	2.6
109.10154	24.8
117.06986	23.2
119.08558	52.1
121.10120	35.1
123.11651	3.8
129.06943	8.8
131.08542	31.5
133.10114	41.5
135.11674	16.4
143.08546	12.1
145.10104	17.2
147.11662	32.8
149.13229	10.0
157.10138	8.9
159.11620	17.5
161.13222	17.1
163.14763	4.1
171.11688	13.2
173.13206	11.5
175.14813	7.9
183.11685	3.0
185.13234	11.4
199.14810	3.1
241.19447	11.6
259.20551	38.1
261.22202	4.3
295.16800	2.8
333.24139	34.5
335.25769	53.4
433.96780	2.5
489.56546	2.2
593.45697	7.6
611.46582	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	35.2
61.02896	6.8
67.01592	3.1
67.05498	100.0
69.07051	18.8
71.04991	5.3
74.39684	3.6
79.05472	78.2
81.06596	6.1
81.07038	93.5
83.04960	6.7
83.08623	6.8
91.05472	53.2
92.63979	3.6
93.07026	98.4
94.90517	3.6
95.04937	6.2
95.08594	59.2
99.08074	4.1
105.07027	50.3
107.08595	47.0
109.10149	24.6
111.05708	3.8
115.00111	3.5
117.06969	18.6
119.08571	36.7
121.10154	30.7
123.11693	4.2
131.08562	20.7
133.10115	23.5
135.11687	20.4
143.08511	6.1
145.10101	20.3
147.11707	7.9
149.13222	6.9
157.78850	3.7
159.11609	5.6
161.13184	5.8
173.13263	7.8
175.14862	4.0
235.24637	4.1
241.19492	5.0
259.20444	6.3
277.21631	14.7
294.24985	4.1
333.03943	3.8
333.24158	7.9
335.25754	79.2
351.25192	33.7
611.46667	52.8
808.52466	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	806.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	12.0
63.87691	1.5
67.05492	48.8
69.07056	21.7
79.05479	39.4
81.03410	3.2
81.06602	3.0
81.07042	62.5
83.04980	3.5
83.08620	1.9
91.05470	45.9
91.97865	1.6
93.07027	43.7
95.01296	2.9
95.04928	3.8
95.08589	38.8
95.35675	1.7
97.06496	7.0
105.06367	2.9
105.07014	40.4
107.04950	7.0
107.08574	23.2
109.06524	8.1
109.10146	13.8
117.06995	7.7
119.08569	27.3
121.10114	14.5
123.11693	2.4
131.08559	17.8
133.10127	23.5
135.11671	9.0
135.62794	1.9
145.10115	7.5
147.11656	6.9
149.13197	2.1
159.11650	7.4
161.13164	2.0
180.81345	1.6
191.55937	1.9
219.17473	26.1
257.19131	1.9
267.18762	2.2
275.19977	27.2
335.25732	49.0
349.23700	13.9
609.35461	3.4
609.45032	100.0
610.45636	2.2
806.50824	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	806.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	7.4
58.74805	1.8
61.02911	2.1
63.56424	1.5
65.03928	2.0
67.05492	46.1
69.03407	2.1
69.06728	2.7
69.07048	19.2
71.05005	2.2
79.05479	44.0
81.03414	1.8
81.07036	51.1
83.04964	8.9
83.08593	9.0
85.02872	2.3
91.05460	30.7
92.09306	2.0
93.07026	50.1
95.04959	10.4
95.08591	33.5
97.06530	3.7
97.10186	2.9
101.07886	1.8
104.08087	1.7
105.07020	31.5
107.04933	9.6
107.08576	33.6
109.06525	11.5
109.10152	13.8
110.44142	1.9
111.08129	2.1
117.07011	11.7
119.08553	19.7
121.06487	9.4
121.10130	22.9
123.08096	3.4
123.11705	3.3
126.17538	1.8
129.06972	2.3
131.08554	24.2
133.06496	2.4
133.10112	21.7
135.08087	8.8
135.11679	8.5
143.08617	3.4
145.10109	21.5
147.08150	3.2
147.11658	15.8
149.09694	6.9
149.13269	3.0
150.09326	1.8
151.11154	2.3
155.08511	2.4
159.08064	2.1
159.11647	13.4
161.09639	3.3
161.13301	3.8
163.11169	4.7
163.14738	2.0
169.10159	2.0
171.11729	3.0
173.13222	2.9
177.12779	2.0
183.11638	2.1
184.07245	3.4
187.14940	2.6
191.14273	2.1
201.12764	2.2
207.13852	3.6
219.17383	2.3
229.19403	3.0
257.18954	4.5
261.22049	3.4
275.20004	71.9
293.21042	8.2
296.76584	1.9
335.25836	28.4
349.23639	57.6
369.29660	1.9
525.99664	2.4
545.50269	2.3
609.45081	100.0
627.46240	17.0
691.58112	2.6
805.50543	9.3
806.50531	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	3.5
67.05504	19.8
69.03381	2.3
69.07040	12.3
69.14097	2.1
71.04966	2.7
79.05471	17.1
81.07034	25.9
83.04945	2.9
86.09709	2.9
91.05455	15.6
93.07018	17.7
95.04943	3.7
95.08573	15.9
105.07012	22.3
107.04942	3.7
107.08578	14.6
109.06499	11.4
109.10137	2.8
112.55405	1.9
117.06982	3.6
119.08540	12.6
121.06486	4.9
121.10135	9.3
123.08057	4.8
129.06931	3.2
131.08527	13.9
133.10114	10.8
135.11630	4.5
143.08473	2.2
145.10065	14.4
147.11606	9.3
149.09552	7.8
151.11137	2.6
159.11635	4.0
161.09576	2.2
163.11200	3.0
173.13329	4.3
184.07306	7.8
190.22786	2.0
200.53169	1.9
218.13422	2.1
229.19383	2.5
247.20372	2.3
257.18924	4.3
261.21860	2.3
275.19980	35.9
293.21075	2.6
349.23676	100.0
367.24710	2.3
501.00363	2.3
501.08426	2.5
558.36743	2.2
641.55841	2.5
758.47180	2.4
805.48480	3.1
806.51013	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	805.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	4.1
61.02937	4.0
68.23367	2.1
69.07040	3.0
81.07027	4.4
85.02902	5.2
86.70826	2.1
86.71371	2.4
91.03919	2.8
93.75322	2.5
97.02859	3.5
135.98218	2.8
232.94682	2.6
299.18463	2.5
370.73477	2.4
497.30817	3.3
524.93079	3.7
531.26050	4.6
787.48676	5.4
805.50439	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	805.509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.9
67.05495	31.0
69.03432	1.7
69.07051	3.9
71.04987	2.4
77.42813	1.4
79.05476	49.9
81.03413	2.6
81.07043	100.0
83.04959	3.6
83.08625	3.4
85.02912	2.0
86.09695	1.9
91.05467	24.4
93.07030	28.7
95.04938	11.7
95.08585	18.7
97.06523	3.1
97.10145	2.1
105.07029	15.9
107.08565	12.8
109.06495	37.6
109.10139	6.7
111.04418	3.4
111.08046	2.6
117.06997	11.2
119.08562	18.1
121.10087	11.4
123.08096	2.7
125.09597	2.2
129.07011	5.8
131.08560	11.1
133.06470	2.0
133.10176	5.9
135.11621	6.0
145.10117	10.1
147.08055	8.4
147.11696	2.7
149.09613	6.2
159.11702	2.7
161.09560	5.6
163.11153	3.4
184.07368	2.4
249.14832	1.8
273.18475	9.3
291.19501	41.2
335.25775	33.1
335.66602	1.6
347.22034	3.2
365.23077	10.7
372.44150	2.0
415.40430	1.7
607.43134	9.2
625.35315	2.4
625.44519	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	805.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	9.8
57.07059	0.9
64.56456	1.0
65.03911	1.2
67.05492	35.8
69.03431	1.3
69.07050	6.8
71.04980	2.3
73.10176	0.8
75.06016	0.9
79.05471	48.3
79.45460	0.8
80.05756	1.0
81.03414	2.4
81.07035	100.0
83.04952	10.5
83.08616	5.9
83.68684	0.8
85.02888	4.5
85.06538	3.6
91.05453	21.8
93.07021	27.0
95.04940	16.0
95.08582	18.8
97.06535	2.0
97.10138	4.7
103.05480	1.0
105.03374	1.0
105.07008	19.4
107.04939	5.9
107.08570	18.3
109.06499	41.5
109.09492	0.9
109.10117	7.5
111.04439	6.7
111.08080	4.0
113.05993	4.5
117.06992	15.5
119.08552	22.5
121.06433	7.0
121.10124	13.3
123.08022	5.1
125.09621	4.4
128.06247	1.3
129.06989	6.4
131.08559	10.3
133.06441	1.9
133.10075	6.6
135.08040	10.0
135.11662	4.2
143.08539	4.5
145.10091	14.2
147.08011	10.2
147.11699	1.4
149.09628	1.9
153.12721	1.6
155.08511	1.4
157.10132	2.3
159.08041	1.0
159.11682	4.1
161.09523	9.9
163.11162	6.8
171.11667	1.9
181.12231	1.4
184.07294	3.9
185.13223	0.9
199.11115	1.2
223.13269	1.7
227.13005	1.2
249.14749	4.1
268.02188	1.0
273.18451	17.0
291.19485	56.5
335.25717	20.6
347.22092	6.2
365.23163	9.8
474.87430	1.0
607.43481	7.6
625.34058	1.3
625.44452	40.0
804.49261	1.5
805.49829	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	804.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	17.3
57.06856	3.8
57.07071	56.2
67.05495	66.1
69.03405	8.7
69.07055	38.0
71.04952	4.7
71.08251	4.3
71.08620	76.1
75.44656	3.0
79.05473	32.7
79.26835	3.3
81.03411	8.7
81.07040	61.6
83.04986	4.3
83.08620	35.6
83.09022	4.1
85.10191	25.7
86.09705	7.0
88.62450	3.3
89.61794	3.2
91.05457	24.1
92.09369	6.9
93.07025	39.5
95.04942	6.8
95.08591	52.4
97.06534	4.8
97.10152	37.6
99.08080	20.0
105.07008	23.5
107.08588	31.6
109.10129	26.1
119.08556	17.0
121.10104	14.0
122.76772	3.5
125.09606	25.7
128.76735	3.6
131.08636	3.6
133.10098	5.1
135.08052	3.8
135.11638	6.8
142.56915	3.5
149.13182	4.0
151.11192	16.7
161.13214	8.3
163.11140	5.5
174.96176	4.1
179.14380	5.2
184.07353	17.9
189.11217	8.5
227.12703	38.9
239.23613	5.0
259.10034	3.8
277.21622	24.7
294.25443	4.1
295.22916	3.9
312.72723	4.0
313.27347	100.0
351.25250	52.0
411.34348	7.3
483.36673	14.6
491.40979	5.0
507.40543	8.4
571.68628	4.8
589.48187	85.8
607.48566	5.1
805.50421	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	805.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00823	1.8
61.02916	2.8
65.99442	1.5
67.05502	4.1
69.03430	2.3
69.07053	2.1
69.58542	1.6
72.23638	1.6
73.02883	2.2
77.48756	1.8
80.52031	1.6
80.89426	1.7
81.03436	2.4
81.07043	2.8
85.02884	2.7
86.86244	1.5
91.05439	2.4
92.09379	2.3
97.02856	2.5
105.46116	1.7
114.37791	1.6
184.07344	2.0
249.08725	2.2
264.85120	2.2
298.61230	1.8
385.56830	2.5
417.60239	1.8
493.27600	2.1
525.27118	2.1
805.50500	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	805.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.5
61.02906	7.0
67.05492	7.8
69.03412	2.7
73.02906	3.3
79.05450	2.8
79.66724	1.6
81.03394	1.7
81.07045	8.3
83.08619	3.5
85.02903	3.7
89.99984	1.6
91.05466	1.7
93.07020	3.6
95.08592	4.2
97.02869	3.8
97.13778	1.7
101.02401	2.1
103.18240	1.6
109.10139	2.0
173.19359	1.8
307.18933	3.2
507.03595	2.3
521.30896	10.7
525.26428	13.5
805.50482	100.0
825.72351	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	803.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
57.82626	0.6
61.02923	3.8
67.05507	4.7
69.03439	2.9
69.07073	1.5
73.02916	4.1
79.05474	1.3
81.03416	1.0
81.07053	8.2
81.07471	0.9
83.08646	1.1
85.02914	4.4
91.03950	1.9
91.05472	1.3
92.09332	2.7
92.63594	0.8
93.07027	3.8
95.08611	4.9
97.02888	4.3
100.29802	0.7
101.02428	0.9
105.07030	1.4
109.02920	0.9
109.10175	0.9
133.67438	0.8
164.94427	0.7
168.83496	0.8
180.21542	0.7
243.08487	3.8
249.43538	0.8
271.33649	0.9
333.20255	2.6
493.27716	4.8
525.26422	1.6
551.28546	1.1
803.49036	100.0
804.49438	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	803.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.2
61.02916	4.6
67.05485	6.7
69.03429	3.5
69.07065	3.7
73.02905	2.1
78.47386	0.8
79.05466	6.4
81.03394	1.9
81.07035	9.1
83.58265	0.8
85.02906	5.4
91.03956	1.5
91.05482	4.2
93.07034	6.8
95.08593	5.4
97.02886	5.0
101.02395	1.0
105.07050	1.8
107.08627	1.3
109.06493	1.4
109.10149	1.7
114.37496	1.1
115.05428	1.3
117.07030	4.2
119.08531	1.4
121.10101	1.5
127.03957	1.1
145.06438	1.8
243.08443	1.5
305.17352	4.4
337.27219	1.0
389.44101	1.0
415.31921	1.2
492.88980	1.0
521.30627	6.4
523.25189	8.1
548.06024	1.2
605.41693	1.1
606.42242	1.0
755.54089	1.0
802.48340	1.2
803.48938	100.0
804.49054	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	803.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.5
61.02911	5.6
61.64227	1.3
67.05499	11.7
69.03409	1.4
69.07050	5.6
73.02902	3.5
79.05476	6.6
80.66639	1.4
81.07039	7.3
82.07388	2.1
83.08611	2.1
85.02897	2.9
86.09684	2.0
91.03939	2.2
91.05470	3.1
93.07013	7.9
95.08595	6.7
97.02879	2.4
107.08568	1.9
109.10154	1.6
121.10131	1.5
122.33254	1.7
125.80520	1.5
128.24075	1.3
133.10138	1.6
136.99687	1.3
146.49513	1.3
184.07361	7.1
189.24162	1.6
196.43050	1.5
199.09738	1.5
220.66455	1.4
243.08420	3.1
274.80585	1.4
305.17227	6.0
521.30701	3.0
523.25256	2.5
563.74310	1.8
734.25720	1.6
789.43378	1.6
802.48010	5.2
803.48792	100.0
804.48517	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	802.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	32.1
57.07066	74.2
61.02909	2.7
67.05491	93.6
69.03408	11.5
69.07056	52.4
71.04979	5.0
71.08614	45.6
79.05473	54.9
81.03399	14.8
81.07039	100.0
83.04959	19.8
83.08599	34.9
85.02895	11.7
85.06513	3.0
85.10168	26.2
91.04005	3.2
91.05456	52.7
93.07025	73.1
95.04949	21.7
95.08583	69.6
97.02858	12.6
97.06522	12.7
97.10143	11.8
99.08089	3.9
105.07021	38.8
107.04970	5.8
107.08584	42.9
109.06496	4.8
109.10128	23.4
111.11753	3.3
117.06970	20.4
119.08550	26.9
121.06475	3.3
121.10115	20.7
123.08099	5.4
123.11671	5.3
129.06985	3.6
131.08560	17.9
133.10078	22.6
135.08002	6.4
135.11655	20.7
139.11182	4.2
145.10106	11.8
147.11720	4.2
149.09641	7.1
149.13286	11.8
151.73213	2.9
159.11700	13.6
163.11121	6.5
166.27721	3.4
171.11786	3.7
255.15862	14.6
257.19080	4.2
269.17352	26.2
275.20035	15.8
313.27332	97.9
339.28891	4.9
349.23666	20.6
493.38794	23.7
505.38806	14.8
507.32800	3.8
507.40338	98.3
587.46680	36.7
605.47345	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	802.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	20.2
57.07066	40.4
57.29170	2.0
58.07420	2.2
58.17951	2.2
58.62420	1.9
60.81974	2.1
67.05492	40.3
69.03420	4.6
69.07063	31.2
71.05004	2.6
71.08622	35.7
79.05470	31.4
81.03397	3.2
81.07041	100.0
83.04996	3.3
83.08595	19.8
85.10181	17.6
91.05458	26.9
93.07035	27.8
95.04960	15.3
95.08574	36.9
97.06528	4.8
97.10161	5.7
105.07001	22.9
107.04951	9.6
107.08592	18.2
109.05854	3.2
109.06503	19.2
109.07204	2.2
109.10153	16.8
117.06994	5.4
118.05434	2.1
119.08559	22.8
121.06477	3.2
121.10130	13.8
123.08062	4.7
123.11683	9.9
131.08554	13.6
133.10098	23.3
135.08105	4.8
135.11644	3.5
139.52063	2.6
145.10107	9.7
147.11668	22.8
149.09549	2.8
149.13199	4.1
159.11604	4.4
165.12679	3.2
174.74049	2.3
239.23624	3.1
257.18881	3.2
275.19952	36.6
291.19400	4.7
292.19794	5.5
293.20938	14.3
299.02243	2.6
313.27335	74.7
349.23602	22.8
365.23190	2.6
366.23447	2.7
367.24762	34.0
376.80844	2.9
439.81778	2.8
587.46661	57.6
605.47546	71.9
736.55273	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	802.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	20.6
57.07065	43.8
67.05492	53.3
69.07054	38.2
70.63879	2.8
71.04965	4.3
71.08616	36.6
79.05469	48.2
80.00097	2.8
81.03399	4.3
81.06599	4.2
81.07037	70.7
83.05005	10.8
83.08597	47.7
84.69321	2.8
85.02893	4.7
85.06523	3.4
85.10156	16.5
86.09666	3.2
91.05451	35.3
92.08712	6.1
93.07021	45.2
95.04944	68.2
95.08578	49.7
97.06483	16.5
97.10148	21.0
99.08051	3.2
105.07001	35.2
107.04936	19.0
107.08573	26.8
109.06493	7.8
109.10144	25.8
111.04442	5.5
111.08060	15.1
117.06990	7.4
119.08551	25.2
121.06454	3.9
121.10142	25.2
123.08047	4.5
123.11631	6.0
125.09611	12.6
131.08531	15.9
133.10095	20.9
135.08031	7.4
135.11659	12.8
143.08420	4.1
145.10101	20.6
147.08063	5.2
147.11615	10.5
149.09612	23.2
149.13248	4.6
157.10121	3.3
159.11659	15.8
163.11131	29.4
165.12685	3.6
175.11214	3.5
177.12689	3.4
184.07304	7.6
198.48973	3.1
223.13258	18.8
239.17865	3.4
257.19125	4.4
269.17416	5.5
275.19949	30.6
292.21204	3.3
293.21011	17.2
304.12759	3.2
311.25739	23.5
313.27316	67.9
349.23700	25.8
367.24820	41.6
369.26135	3.5
401.44080	3.5
405.88739	3.4
416.18369	3.3
435.61337	3.8
463.02148	3.4
587.46576	32.1
590.89209	3.2
605.47638	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	801.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
57.25625	0.5
57.83617	0.6
61.02912	6.9
62.32437	0.5
67.05483	6.6
69.03422	3.6
69.07059	3.1
71.87911	0.5
73.02919	5.3
79.05479	5.3
81.03419	2.4
81.07034	6.6
85.02892	7.1
91.03947	3.5
91.05462	3.5
92.09326	1.5
93.07017	5.0
95.04947	0.9
95.08606	4.2
97.02867	5.0
101.02316	2.2
105.07044	1.3
106.04251	0.7
107.08607	2.5
109.02883	0.7
117.07043	0.8
119.08531	1.1
121.10151	1.5
127.03889	1.2
129.48816	0.6
134.99924	0.6
135.11700	0.8
139.75349	0.6
142.19020	0.6
161.13231	0.7
165.82185	0.8
173.13176	0.8
214.69025	0.7
243.08444	4.4
333.20053	0.9
375.73035	0.7
491.26129	8.3
551.28168	1.4
801.47455	100.0
802.47742	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	802.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	34.5
57.07067	88.1
61.02921	4.9
63.38928	4.4
67.05493	82.3
69.03413	10.5
69.07057	65.0
71.04968	6.9
71.08619	45.4
79.05477	65.3
79.80637	3.7
81.03390	8.7
81.07040	86.6
83.04977	8.3
83.08611	38.2
85.02883	7.6
85.10166	22.0
91.05460	67.5
93.07026	63.2
95.04963	8.0
95.08587	79.7
97.02931	5.0
97.06520	10.2
97.10153	49.8
105.07014	66.0
107.04942	18.4
107.08599	58.0
109.02813	4.5
109.06518	9.6
109.10122	34.8
112.85708	4.2
113.47382	4.6
117.06977	18.7
119.08573	27.3
121.06509	4.8
121.10168	18.1
123.11688	7.0
125.09589	41.0
131.08492	15.3
133.10130	31.4
135.11639	6.8
145.10112	20.8
147.11676	17.4
149.09622	31.0
159.11665	17.0
161.13179	4.4
163.11153	8.5
165.09134	4.4
171.11638	6.9
172.86774	4.4
173.13217	6.9
179.14346	5.5
189.11131	29.8
216.21346	4.7
227.12639	62.0
257.19016	8.9
275.20041	64.6
313.27286	100.0
349.23605	79.3
507.39713	5.4
587.46765	96.7
587.55670	8.3
605.46906	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.5
61.02910	5.3
67.05495	4.8
69.03410	4.1
69.07057	2.4
71.04980	0.4
73.02900	4.4
79.05476	4.5
81.03417	0.8
81.07037	6.8
83.04945	0.6
83.08612	0.6
85.02888	4.0
91.03940	3.1
91.05464	3.2
93.07032	4.8
95.04973	0.7
95.08586	3.9
96.76135	0.4
97.02869	4.2
99.04437	0.9
101.02376	2.1
105.07024	2.4
107.04890	0.4
107.08590	1.5
109.02865	0.5
109.06502	0.6
109.10141	2.0
117.07001	0.5
119.08584	2.1
121.10129	2.1
123.11719	0.5
127.03903	0.7
131.08533	0.7
133.10133	0.5
135.08017	0.7
137.09595	0.6
139.11191	0.5
185.04213	0.7
227.59122	0.4
243.08275	3.7
305.17087	3.1
361.19916	0.7
395.16965	0.8
491.09152	0.4
519.29034	6.3
523.24908	7.1
533.60748	0.4
591.31641	0.5
601.16803	0.4
800.45996	0.7
801.47375	100.0
802.47913	3.2
809.60754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.4
61.02918	5.7
65.03904	0.3
67.05489	4.9
69.03420	3.5
69.07056	1.7
71.04967	0.5
73.02909	4.3
75.28002	0.3
76.38097	0.3
79.05473	6.2
81.03414	1.7
81.07034	7.1
83.04994	0.4
83.08635	0.6
83.80462	0.3
85.02887	5.6
85.51088	0.3
87.04485	0.3
91.03936	4.4
91.05454	3.3
93.07011	5.6
95.04978	0.5
95.08609	3.5
97.02868	5.7
99.04450	0.7
101.02381	2.0
105.07031	1.9
107.08615	2.1
109.02877	0.5
109.06505	0.6
109.10143	1.4
115.03904	0.4
117.07029	0.4
119.08564	0.8
121.10139	2.2
123.11644	0.5
127.03917	1.7
127.64658	0.4
131.08548	0.8
133.10158	0.8
135.11678	0.8
135.90480	0.4
139.24043	0.4
145.10121	0.7
159.11703	0.5
214.90515	0.4
243.08401	3.3
307.22635	0.8
333.20258	5.6
389.23138	0.5
390.28625	0.4
491.26093	7.5
551.28253	4.9
563.27960	0.4
608.05780	0.4
691.58856	0.4
801.47394	100.0
802.47876	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	801.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
61.02921	5.7
67.05501	5.9
67.18112	0.6
69.03417	1.8
69.07070	1.1
73.02898	3.7
79.05485	6.5
81.03411	3.2
81.07041	5.7
83.08598	1.4
85.02888	6.1
91.03948	3.2
91.05472	3.1
93.07037	5.9
95.04957	1.4
95.08605	3.8
97.02892	4.7
97.31776	0.7
99.04458	0.9
101.02362	1.3
105.07021	3.1
109.10196	0.8
111.04387	0.7
117.06956	0.7
118.34399	0.6
121.10159	3.8
124.68867	0.7
127.03912	1.1
131.08621	0.8
133.10056	1.1
149.09608	0.8
154.22235	0.7
203.05267	0.8
243.08379	1.7
247.95493	0.7
307.22565	1.2
317.19986	0.8
333.20209	2.4
431.46240	0.7
461.46762	0.7
491.26141	6.6
551.28516	4.1
801.47412	100.0
802.47900	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	800.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	26.2
57.07070	35.8
67.05148	5.7
67.05493	85.4
67.81798	2.5
68.25771	2.2
69.03414	3.1
69.07059	56.3
71.08617	6.2
71.84546	2.7
79.05484	43.2
81.03394	22.5
81.06599	5.1
81.07043	100.0
83.04955	5.1
83.08609	31.8
85.02880	3.4
85.10171	69.9
91.05462	57.1
93.07027	79.8
95.04959	18.1
95.08587	65.5
97.06492	11.0
97.10148	18.4
99.08077	4.3
104.08732	3.1
105.07033	34.6
105.07625	4.6
107.04922	4.2
107.08576	31.6
107.49766	3.1
109.06517	4.9
109.10143	36.6
111.08089	4.5
111.11714	3.2
113.09626	69.2
117.07074	4.8
119.08570	32.0
121.10133	15.6
123.11685	13.6
125.09596	4.6
131.08548	5.0
133.10112	32.8
135.07997	4.1
135.11703	6.1
137.09633	6.0
145.10136	5.7
147.11679	12.7
151.11188	14.6
155.10764	4.1
159.11708	5.1
165.12770	22.2
169.12212	3.4
171.11659	3.3
187.13205	3.6
200.29710	3.0
203.17937	12.6
221.18945	37.2
221.37820	2.9
249.18391	33.5
257.30115	3.1
267.19516	16.5
275.20151	5.5
309.24161	26.9
311.25772	12.6
323.22232	20.8
337.27347	64.6
341.23102	34.9
349.23730	11.0
369.26135	7.0
454.60452	3.2
463.91547	3.8
491.87445	3.1
585.45343	46.0
603.46051	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99371	1.3
59.12736	1.4
62.14057	1.4
69.03400	8.6
79.05455	1.8
81.03402	23.9
85.02885	10.6
85.90999	1.6
88.55257	1.7
91.05441	2.2
97.02876	12.0
109.02853	26.4
121.02835	1.9
127.03900	13.9
137.05949	6.5
147.04410	3.7
150.99341	1.5
181.34657	1.8
185.07101	2.1
197.06981	11.3
199.08611	12.3
211.08693	13.2
213.10188	6.8
222.04015	2.5
225.06572	42.9
225.10049	15.1
226.07231	2.4
226.11154	1.5
227.08092	7.7
227.11713	2.7
229.09634	2.3
235.08571	2.2
237.10207	3.2
238.07242	2.1
239.04480	2.1
239.08072	27.7
240.08775	2.7
241.09666	10.8
243.07571	19.1
245.12769	3.8
252.08820	1.9
253.05934	3.9
253.09627	34.6
254.10548	2.1
255.07594	11.8
255.11171	9.7
257.05563	7.0
257.09161	9.1
259.07092	10.3
265.09680	6.7
267.07596	36.6
269.09149	10.5
269.12195	1.6
271.07089	6.5
271.10693	15.6
273.08667	6.6
281.05896	5.4
281.09116	44.0
283.07449	2.5
283.10712	13.8
285.08707	14.5
286.09442	2.2
287.09943	1.9
293.09277	3.5
295.07077	10.3
295.10269	1.9
297.08521	3.7
299.06570	10.3
299.10202	40.4
301.11835	3.4
309.08636	71.3
310.09167	2.3
311.10132	6.5
313.08090	7.1
317.07639	7.7
317.11121	2.5
321.12161	2.0
327.09677	86.6
327.13519	3.5
328.10034	2.4
329.11212	10.4
331.09128	3.2
332.09750	1.9
337.08093	23.7
341.11237	2.0
345.10828	37.0
355.09171	31.9
359.12201	2.0
363.13412	1.8
369.10886	17.5
373.10211	35.6
376.33337	1.8
387.11783	29.4
391.12540	2.3
405.13007	12.5
409.13803	7.8
411.19843	2.0
412.20334	2.4
417.12726	1.8
425.13290	2.4
427.15015	2.4
435.11612	2.2
437.13364	7.1
447.13834	9.8
451.14822	2.0
453.12775	16.5
455.14288	11.6
463.10709	1.8
469.15796	11.7
471.14069	13.5
473.15283	1.9
481.12454	22.4
485.15555	3.6
487.17310	20.9
489.14310	2.2
499.13354	35.9
505.18323	3.2
513.14996	36.6
517.14404	13.6
531.15997	100.0
549.17017	21.3
623.23224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	13.4
57.07072	39.2
64.42213	2.6
67.05489	61.3
69.03418	3.4
69.07055	22.5
71.08602	22.0
79.05475	33.5
81.03456	9.0
81.07040	67.8
83.04964	11.9
83.08625	10.6
85.06522	4.7
85.10174	7.1
86.09708	11.8
91.05456	49.8
93.07021	35.4
95.04945	6.7
95.08578	30.5
97.10163	3.7
105.06996	38.7
107.04895	4.3
107.08562	37.5
109.06519	3.5
109.10138	62.6
109.10847	3.4
117.07039	3.5
119.08574	15.1
121.06479	11.5
121.10135	4.7
123.11656	11.8
125.00018	7.1
131.08543	11.4
133.10124	66.0
135.07994	3.6
135.32845	2.9
147.11618	4.2
149.09592	5.4
151.11140	31.9
161.09613	3.6
184.07286	23.3
245.19156	4.0
253.14281	100.0
263.20004	3.8
273.18390	15.4
291.19440	15.6
307.46982	3.2
313.27267	46.9
347.22086	4.7
365.23273	25.5
432.29868	3.6
509.38013	16.4
585.44635	4.6
603.46094	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80278	1.2
57.03436	11.9
57.06812	2.4
57.07069	40.6
64.06606	1.3
67.05171	4.4
67.05501	28.0
69.03410	9.1
69.07056	38.9
70.73528	1.3
71.04958	1.9
71.08620	25.7
73.02944	1.4
74.48834	1.6
79.05476	26.9
81.03400	8.8
81.07043	32.7
83.04964	2.7
83.08597	16.3
85.02895	1.6
85.10163	12.1
91.05459	14.3
93.07038	19.2
95.04951	9.4
95.08577	23.8
97.02895	13.1
97.06450	1.6
97.10158	20.3
105.07010	12.1
107.04950	8.9
107.08578	14.0
109.10175	16.0
115.24356	1.4
117.06983	8.3
119.04903	1.6
119.08568	13.7
121.06464	3.4
121.10122	6.8
123.08012	2.7
123.11693	2.9
125.09594	9.9
129.06949	2.4
131.08522	8.7
132.18326	1.3
133.06488	2.3
133.10141	3.1
135.08047	2.7
137.09578	1.6
143.08539	3.6
145.10088	2.6
147.08049	6.3
147.11604	2.0
149.13249	2.2
157.10265	1.6
159.11687	2.1
161.09523	2.1
166.17268	1.3
175.11246	1.8
185.21623	1.5
189.11122	2.2
205.12183	2.0
223.13277	22.0
227.12708	5.7
249.14911	6.2
250.30734	1.5
267.40298	1.5
273.18439	9.7
291.19495	100.0
313.27289	57.2
365.23187	41.3
494.65762	1.9
523.40118	1.9
603.46063	84.8
818.33289	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	19.6
57.07060	13.3
60.77584	2.0
61.02912	3.5
61.34484	2.2
62.73857	1.8
67.05495	93.4
69.03413	9.0
69.07058	50.8
71.04967	3.5
71.08622	21.1
79.05481	43.9
81.03392	15.0
81.07042	100.0
83.04952	9.4
83.08606	38.1
85.02892	5.3
85.10173	14.7
89.80093	2.2
91.05465	38.3
93.07025	59.3
95.04954	16.2
95.08593	81.4
97.02894	2.6
97.06497	13.5
97.10139	8.1
99.08081	15.1
105.07046	23.3
105.17797	2.1
107.04952	3.6
107.08574	23.7
109.06505	5.4
109.10154	30.8
111.08079	16.6
111.11671	2.7
111.53040	2.5
113.05998	2.2
113.09635	14.3
117.07031	2.7
119.08571	27.7
121.06453	3.0
121.10132	27.7
123.08045	4.9
123.11691	10.0
131.08510	9.5
133.10095	25.5
135.08009	13.2
135.11673	5.1
137.09605	23.6
139.11160	10.5
142.27173	2.9
145.10023	4.3
147.11662	13.7
149.13254	4.0
151.02879	2.0
151.11162	16.5
151.27534	2.4
153.09126	2.9
155.10646	15.7
161.09563	2.8
161.13264	4.6
165.12737	21.3
170.17850	2.2
173.13167	2.5
173.41391	2.0
175.14772	2.9
203.17882	3.6
221.18976	11.0
231.17418	3.4
241.14284	4.3
249.18474	27.4
267.19537	11.7
309.24066	8.5
323.22171	29.4
337.27310	79.6
341.23193	42.7
503.36865	5.2
572.87860	2.7
585.45062	56.4
603.36432	4.1
603.46082	92.9
648.50354	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	6.7
67.05499	7.5
69.03412	2.3
79.05487	6.8
81.07037	6.7
87.21669	1.5
91.05474	8.9
93.07016	3.9
97.02900	2.5
101.02368	1.9
105.07026	3.4
131.08572	2.1
202.66570	1.7
243.08478	2.0
283.60593	1.6
303.15744	3.5
318.58353	1.9
335.70169	1.7
476.63544	2.1
519.29419	2.0
521.23877	3.9
799.45892	100.0
829.08148	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	23.9
57.07065	11.2
57.88555	1.5
61.02918	3.3
64.76110	1.5
67.05491	82.8
67.74926	1.6
69.03404	8.4
69.07054	62.1
71.04984	2.6
71.08620	19.9
73.02881	2.3
73.06536	1.9
79.05473	63.7
81.03397	13.2
81.07036	100.0
82.07372	2.1
83.04969	7.9
83.08596	29.1
85.02883	9.5
85.06493	2.6
85.10154	3.3
85.53487	1.6
91.05460	46.6
93.07023	60.5
95.04952	11.3
95.08585	55.9
96.08871	2.6
97.02891	8.4
97.06515	17.4
97.10152	11.7
99.08063	17.1
103.92268	1.8
105.07020	34.2
106.93050	1.7
107.04927	8.2
107.08560	29.0
109.06478	6.8
109.10155	21.8
111.08087	4.2
113.09624	2.0
117.07011	10.5
119.08557	26.9
121.06493	2.3
121.10107	24.2
123.08105	2.4
123.11708	7.2
125.05975	2.3
125.09629	1.7
127.03908	2.3
129.06938	3.0
131.08492	16.2
133.10109	19.8
135.08025	11.7
135.11642	11.5
137.09613	7.1
137.13208	1.9
143.07007	12.1
145.10133	9.3
147.11661	12.2
149.09578	9.0
149.13240	8.1
151.11157	17.1
159.11691	9.4
161.09656	2.4
161.13205	3.0
163.14748	3.9
165.12718	1.9
173.11752	3.3
175.11206	1.9
184.07292	3.5
199.09654	17.8
203.18063	6.3
231.17436	3.2
241.14134	1.9
249.18419	3.8
269.17480	3.2
275.20004	3.9
293.20999	2.4
311.25684	27.4
323.22110	16.9
337.27274	34.0
338.27692	3.5
365.23352	3.1
491.37131	3.5
503.37381	2.7
505.38892	19.8
585.45129	35.5
602.44592	2.3
603.45447	10.7
628.45782	2.4
745.15491	1.9
801.47955	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	799.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	11.9
57.08815	1.5
61.02895	7.7
63.93386	1.5
67.05204	2.4
67.05498	42.1
69.03396	8.8
69.07071	14.2
69.89902	2.0
71.08623	4.0
73.02899	4.3
79.05471	27.0
81.03394	4.1
81.07047	37.0
82.07377	2.5
82.39513	1.6
83.08601	3.8
85.02904	4.2
91.03954	2.0
91.05469	23.5
93.07017	23.8
93.10896	2.1
94.07327	2.9
95.04958	2.7
95.08585	22.0
97.02878	2.9
97.06473	2.7
101.02329	2.2
105.07002	8.8
106.07393	2.1
107.04897	2.1
107.08567	12.5
109.10152	4.2
117.06982	4.5
119.08534	9.8
121.10096	7.6
127.03877	2.1
131.08505	11.8
133.10083	4.2
135.11604	3.4
143.07082	2.8
145.10069	2.8
309.24399	4.5
310.24588	2.1
323.22101	2.1
335.25613	4.7
336.26059	3.5
450.68063	2.5
489.35385	2.6
502.35593	2.4
503.37350	8.1
504.37592	4.0
519.29089	2.8
521.23468	2.8
583.43622	2.9
584.43848	3.0
799.45239	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	799.46
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	8.9
57.07062	1.9
61.02915	9.7
67.05202	1.1
67.05495	21.7
69.03402	4.7
69.07040	7.0
70.77919	0.9
71.04987	1.2
71.13875	1.0
72.01679	0.9
73.02878	5.2
77.34621	1.0
79.05479	15.6
81.03386	2.5
81.07040	19.2
83.04964	1.6
83.08591	5.1
83.83640	1.0
85.02900	8.1
91.03928	4.3
91.05463	11.4
93.06502	1.0
93.07034	17.7
95.04943	4.3
95.08581	16.7
97.02874	8.7
99.04417	1.6
101.02339	2.2
105.07010	8.9
107.04893	2.0
107.08610	7.7
107.09225	0.9
109.10140	5.1
114.46556	1.1
117.06982	1.6
119.08536	5.6
121.10156	8.6
123.08029	1.0
129.05437	1.2
131.08505	5.2
133.10097	5.1
135.07980	1.9
135.11652	2.4
144.61487	1.2
145.10063	1.7
147.11580	1.7
149.09560	1.2
177.88002	1.0
185.04424	1.5
202.72633	1.2
219.17374	1.5
241.14163	1.7
243.08339	1.8
265.17749	1.1
309.24323	1.1
313.17627	1.3
331.18686	2.1
335.25681	1.8
336.26007	1.8
337.27225	2.2
419.51862	1.1
481.77039	1.1
491.25876	8.5
501.35718	1.5
549.24939	1.2
583.43115	1.9
584.43182	1.5
601.44196	4.6
602.44116	4.8
603.46161	1.4
624.85547	1.3
776.38788	1.2
781.44940	7.3
799.45227	100.0
800.45258	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	799.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	0.5
70.85226	0.2
79.11178	0.2
85.02876	0.6
93.07096	0.3
95.04928	0.3
97.02873	0.4
112.64838	0.3
119.08542	0.3
122.05992	0.6
136.07573	0.5
137.05933	0.4
138.09138	1.3
145.04936	0.3
158.49046	0.3
164.06912	0.3
164.10649	1.2
171.09193	0.4
183.09178	0.4
187.08611	1.0
189.10194	1.3
192.10219	1.1
197.07057	0.5
198.07799	0.5
200.09390	1.3
201.06590	2.2
202.05473	0.4
202.07338	10.8
204.10278	1.0
210.11333	0.4
211.08655	1.5
212.09328	0.5
213.10152	1.0
215.08192	0.5
217.09692	11.0
219.11284	0.6
222.11110	0.3
226.07355	0.5
229.09639	1.1
233.09183	7.8
235.10728	1.5
239.08113	0.5
241.09714	1.2
245.12720	0.5
257.09149	21.7
258.39212	0.3
259.10519	0.3
261.08643	100.0
262.08929	1.4
269.09134	0.4
285.08640	30.7
285.11911	1.6
286.09122	0.5
287.10303	0.6
289.11789	1.1
297.73138	0.3
313.08105	20.6
331.09171	27.4
332.09357	0.5
334.09937	0.3
359.23117	1.0
359.73489	0.6
398.17001	21.9
399.17346	0.4
406.17480	1.8
408.19141	1.0
428.21786	2.6
436.18805	0.6
452.18130	1.4
468.17532	21.3
469.18005	0.5
470.45285	0.3
482.19458	2.1
589.26215	0.4
607.27484	2.4
619.27545	8.0
637.28400	4.2
734.31805	0.3
781.32184	1.5
799.33197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	23.6
57.07064	3.2
58.24428	2.3
60.49065	3.0
61.02907	4.9
65.34426	2.8
67.05485	43.6
69.03409	6.1
69.07053	18.9
69.69959	2.5
79.05482	34.1
81.03426	3.6
81.07039	50.4
83.04964	3.1
83.08607	11.9
85.02896	4.7
87.52332	2.7
91.05447	22.9
93.07027	32.4
94.07356	3.7
95.04949	5.3
95.08591	38.1
97.02866	4.5
105.06994	18.6
106.81319	2.9
107.08569	19.0
109.06486	4.1
109.10158	14.3
117.07013	4.1
119.08574	12.5
121.10127	13.5
122.10471	3.5
123.07997	5.0
129.07018	3.1
131.08559	11.8
133.10143	5.8
137.09624	4.6
145.10049	3.6
149.09612	4.7
156.68719	2.8
159.11655	3.5
227.12701	5.9
241.14317	6.2
304.12457	3.2
321.20480	3.5
322.20786	4.0
331.77048	3.6
337.27191	19.5
338.27658	5.9
361.54773	3.3
412.77008	3.4
489.35385	4.4
504.37622	12.1
510.09659	3.3
519.29443	4.4
530.31598	3.1
602.44257	3.9
640.06927	3.4
672.10242	3.1
781.43152	5.7
799.45892	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	798.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03214	0.9
57.03430	14.3
57.07059	5.9
61.02898	4.5
65.03918	1.2
67.05491	78.2
69.03406	5.4
69.07051	39.8
71.04970	5.2
71.08604	6.6
71.82060	1.1
79.05476	47.2
81.03400	7.0
81.07038	100.0
83.04954	6.3
83.08601	29.7
85.02882	1.3
85.06510	1.6
85.10159	2.4
91.05457	39.9
92.05735	1.0
93.07024	49.9
95.04953	11.4
95.08585	62.6
97.02856	1.8
97.06499	9.2
97.10161	5.6
99.04419	1.4
99.08067	6.3
105.07016	29.7
107.04941	4.6
107.08576	31.2
109.06509	11.5
109.10126	24.2
111.08070	9.1
113.09628	5.3
117.06984	12.1
119.08549	26.3
121.06474	4.6
121.10114	21.7
123.08032	5.2
123.11659	7.1
125.09609	5.2
129.06961	2.5
131.08553	16.4
133.06511	1.6
133.10107	20.0
135.08026	8.6
135.11667	9.5
137.09590	9.6
137.13174	1.5
139.11150	5.8
143.08539	1.8
145.10109	10.5
146.39079	1.0
147.11635	15.1
149.09616	9.7
149.13243	5.8
151.11159	6.1
155.08517	1.0
155.10648	1.7
157.10136	2.2
159.07996	1.4
159.11668	7.6
161.13268	5.0
162.43269	1.1
163.11182	4.8
163.14767	1.5
165.12743	6.0
169.10216	1.3
173.09535	1.2
173.13225	1.5
175.14835	1.4
177.16406	1.2
179.08075	1.0
189.12625	1.4
201.16335	4.3
203.17741	1.5
219.17360	4.4
221.18930	1.6
229.15866	1.4
247.16872	4.6
249.18462	5.8
261.22058	1.8
265.17847	5.1
267.19519	2.6
275.20053	14.7
293.21005	2.5
309.24167	50.3
321.20627	2.4
323.21994	7.4
335.25671	20.2
337.27255	14.9
339.21570	8.1
341.23245	10.3
349.23605	10.0
367.24695	14.8
372.81622	1.2
382.99448	1.2
409.35123	1.2
583.43457	41.8
601.44519	66.7
602.44403	1.8
719.04669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03209	1.3
57.03428	18.7
57.07059	2.1
61.02892	1.4
61.18848	1.0
65.03908	1.5
67.05492	87.8
67.05853	2.9
69.03408	2.1
69.07052	25.6
71.04977	5.5
79.05475	92.4
81.03407	7.4
81.07041	75.4
83.04971	13.0
83.08601	30.3
85.02904	5.2
85.06540	1.9
87.20407	1.2
91.05465	47.8
91.61323	1.2
93.07024	90.0
95.04949	66.7
95.08588	44.7
97.06520	8.3
97.10155	12.6
99.04439	7.8
99.08083	2.5
103.05515	1.2
105.04478	2.0
105.07014	45.2
107.04923	12.2
107.08577	45.4
109.06498	8.4
109.10149	19.3
111.04472	8.4
111.08042	6.2
117.07006	15.6
119.08562	34.8
121.06476	8.5
121.10116	40.8
123.08027	6.3
123.11684	7.0
125.09605	8.9
129.04224	1.2
129.06966	6.2
131.08527	22.3
133.10115	22.8
135.08064	7.5
135.11664	16.9
137.09628	6.0
139.11185	1.7
141.06978	1.7
143.08539	2.2
145.10107	25.6
147.08032	4.9
147.11647	13.7
149.09602	22.3
149.13229	2.6
151.11189	2.2
155.08577	1.2
157.10109	2.1
159.11652	12.5
161.13164	2.9
163.11160	26.2
165.12733	1.5
169.10147	4.6
171.11691	2.1
173.13264	6.0
177.09077	1.3
177.12682	1.9
181.87523	1.5
183.11635	2.1
185.13216	1.4
187.11086	1.5
189.11197	5.1
197.13094	1.7
205.12312	2.4
215.17992	5.7
223.13280	16.7
233.18990	5.5
239.17923	2.1
256.10034	1.3
257.18951	4.9
275.20013	33.8
293.21115	20.8
307.22626	100.0
345.87909	1.2
349.23581	13.1
367.24744	32.9
402.80869	1.4
450.37125	1.4
581.41925	28.0
599.42920	96.4
600.43066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.5
61.02913	9.4
67.05489	7.7
69.03413	4.6
69.07050	1.0
71.04985	0.8
73.02895	6.0
79.05469	5.1
80.60029	0.5
81.03408	1.9
81.07038	7.3
83.08611	0.6
85.02895	8.7
91.03935	4.7
91.05469	3.0
93.07015	6.3
95.04977	1.0
95.08583	6.7
97.02873	7.9
99.04453	0.8
101.02362	3.5
105.07027	1.9
107.08592	3.5
109.10146	2.3
115.03929	0.6
117.25215	0.4
117.70999	0.4
119.08597	1.9
121.10153	2.8
123.11694	0.4
127.03931	2.5
133.10144	0.5
135.11655	1.0
145.10081	0.7
180.90553	0.4
185.04291	0.6
243.08502	2.3
248.99944	0.5
263.29901	0.4
346.44693	0.4
519.29163	10.8
772.12598	0.6
797.51587	100.0
798.52179	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	796.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	14.3
57.07056	1.6
61.02924	1.8
65.03929	3.7
67.05492	69.5
69.03428	1.6
69.07056	42.3
71.04984	5.2
79.05474	79.2
81.03413	6.4
81.07040	74.4
83.04964	10.3
83.08604	83.0
85.02885	5.7
85.06517	1.1
91.05460	63.7
93.07024	100.0
95.04950	23.6
95.08585	49.6
97.02846	1.0
97.06510	6.9
97.10139	3.4
99.04456	11.1
99.08051	1.4
105.04476	1.1
105.07014	35.2
107.04952	11.4
107.08576	79.2
109.06504	7.7
109.10151	20.2
111.04424	4.5
111.08075	12.5
115.05482	0.9
117.06994	34.0
119.08570	28.9
121.06488	5.9
121.10123	31.1
123.08052	3.7
123.11664	4.5
125.05985	1.4
125.09602	8.7
129.06973	3.7
131.08540	38.8
133.06514	6.3
133.10112	21.4
135.08028	20.8
135.11684	11.5
135.74452	0.9
137.09616	12.6
139.11180	8.8
141.07014	1.7
143.07051	1.3
143.08556	2.0
145.06488	1.2
145.10123	20.4
147.07985	1.6
147.11664	8.1
149.09595	37.9
149.13228	3.9
151.07507	1.4
151.11118	2.2
153.09105	4.5
153.21924	0.8
155.08562	1.9
157.10130	1.6
159.07985	1.0
159.11679	11.7
161.09599	1.8
161.13266	5.1
163.11148	11.0
163.14809	1.2
165.09154	1.3
165.12703	1.0
167.10721	1.3
169.10139	4.9
173.09625	1.0
173.13234	7.2
175.14801	3.5
177.09099	10.1
179.10654	1.7
181.08589	1.1
183.11717	1.7
185.13249	3.4
187.11223	1.4
187.14859	3.8
194.81276	0.9
195.10143	2.1
201.16339	25.6
203.17851	0.9
211.14819	2.1
219.17416	40.9
229.15860	8.9
243.21097	1.2
246.58600	1.1
247.16884	32.3
261.22058	4.7
265.17960	20.6
266.03064	0.9
317.25186	1.1
321.20505	17.2
335.25735	85.4
336.26282	1.8
339.21609	37.6
529.35468	1.1
581.41876	11.4
599.42993	76.8
600.43207	1.5
707.90405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	9.4
57.07073	3.0
67.05487	49.7
69.03406	1.6
69.05785	1.2
69.07054	11.2
71.04977	1.5
79.05474	56.0
79.40359	1.2
81.03409	3.2
81.07034	100.0
83.08614	7.2
85.02874	1.4
85.06523	1.8
87.04466	1.6
91.05457	23.6
92.09444	2.8
92.63706	1.4
93.07017	43.2
93.76788	1.4
95.04960	10.8
95.08582	92.6
97.10146	2.3
99.08078	3.3
101.08697	1.3
105.07001	26.8
107.04916	5.1
107.08549	14.7
109.06503	5.7
109.10139	8.5
111.08057	5.8
111.28530	1.4
117.06995	6.4
119.08539	12.0
120.94616	1.5
121.06474	8.7
121.10093	11.2
123.08038	50.0
123.11668	1.7
129.05484	1.4
129.06967	2.7
131.08505	10.3
131.21136	1.4
133.06445	6.4
133.10089	9.1
135.08012	7.7
135.11659	2.5
139.07587	1.5
140.49611	1.6
141.09108	1.8
143.08556	1.7
145.10077	5.9
147.08064	2.1
147.11623	1.3
149.09641	2.2
149.13239	2.0
151.07549	16.3
157.10062	2.6
159.11708	2.9
161.09587	3.2
170.44676	1.4
173.13210	1.7
177.09062	1.9
185.13202	1.7
189.64508	1.4
199.14906	2.0
217.15843	1.8
223.09680	1.4
225.11177	48.1
245.15410	6.7
261.22049	7.3
263.16348	6.3
319.18927	3.3
335.25690	24.7
337.20007	12.2
485.32358	2.5
501.32004	1.8
503.33490	2.8
597.41406	26.2
643.63300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64466	1.1
57.03216	1.2
57.03432	19.1
57.07059	2.2
61.02915	2.5
62.52690	1.3
65.03919	1.4
65.32743	1.1
67.05492	97.1
69.03408	2.4
69.07050	31.1
71.04972	2.4
71.08630	1.7
73.02920	1.8
79.05476	78.0
81.03401	6.5
81.07037	100.0
82.59568	1.4
83.04971	6.0
83.08602	14.0
85.02913	2.0
85.06523	5.5
91.05463	52.7
92.09318	5.3
93.07025	73.4
95.04955	13.9
95.08587	70.1
97.02889	2.7
97.06510	6.7
97.10163	3.3
99.04514	1.8
99.08048	2.0
100.52617	1.3
103.05424	1.3
105.07018	43.0
107.04907	2.2
107.08582	34.3
109.06493	6.8
109.10148	38.1
111.08054	2.7
117.07019	12.3
117.23564	1.5
119.08558	19.7
121.06483	7.9
121.10124	21.5
123.08048	12.0
123.11670	7.9
125.00004	1.5
125.09563	1.6
127.07552	1.6
128.06120	2.1
129.06990	3.1
131.08539	15.6
133.06479	2.1
133.10118	35.3
135.08015	4.9
135.11649	11.2
137.09625	2.0
143.08536	2.7
145.10144	7.5
147.08011	2.0
147.11700	9.3
149.09619	2.1
149.13254	6.1
151.11179	8.7
155.08453	1.9
157.10062	3.0
159.11708	6.4
161.13254	2.1
163.14828	2.6
163.20683	1.4
169.12305	1.6
171.11667	2.8
173.13313	5.6
184.07321	2.5
199.14908	1.4
225.11031	1.7
233.19038	1.7
245.15399	1.4
253.14281	22.8
257.67276	1.4
261.22098	6.2
273.18451	3.2
291.19467	1.5
307.22696	19.2
335.25824	31.2
337.20059	3.0
337.27264	22.9
351.51962	1.5
365.23068	9.3
491.06918	1.4
503.33423	9.2
579.40399	1.7
597.40765	25.3
597.48907	8.7
615.49939	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	794.504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	18.4
57.07065	2.6
61.02905	1.6
62.22469	1.2
65.03918	2.0
67.05495	91.0
69.03416	8.5
69.07054	75.0
71.04984	2.7
79.05477	100.0
81.03392	7.3
81.07039	85.7
83.04958	6.3
83.08601	7.7
85.02872	1.7
87.04453	1.4
91.05464	74.0
93.07021	93.1
95.04928	10.9
95.08585	66.6
96.72240	1.3
97.02892	9.6
97.06501	11.3
97.10122	2.1
105.07018	35.5
107.04948	19.3
107.08582	37.9
109.06532	3.3
109.10149	20.7
109.31210	1.4
109.69875	1.5
111.04407	1.6
111.08083	1.6
117.07008	18.4
117.72789	1.3
119.08558	55.7
121.06516	1.7
121.10114	60.9
121.10975	2.3
123.08054	6.8
123.11665	3.1
125.05968	1.8
128.06189	4.9
129.06990	16.0
131.08540	39.1
133.06502	6.5
133.10095	23.6
135.08067	5.7
135.11674	6.4
137.09604	2.9
142.07721	2.8
143.06999	3.3
143.08556	17.0
145.06432	1.5
145.10126	17.6
147.08040	13.6
147.11687	9.7
149.09566	17.2
149.13254	2.8
151.07593	5.8
157.10107	14.0
159.11620	9.6
161.09550	4.8
161.13248	6.4
163.14799	1.8
165.09158	1.7
171.11717	3.1
173.13254	5.3
175.14757	2.1
177.09154	2.3
183.11635	2.0
187.14815	2.8
187.42157	1.8
189.16385	5.8
199.09758	2.2
199.14795	16.8
201.12811	1.6
201.16396	2.7
217.15770	11.6
227.14288	2.8
245.15294	14.6
261.21997	3.1
263.16327	1.8
319.18756	1.5
335.25726	63.2
337.20087	39.9
337.27194	7.1
515.88446	1.3
597.41339	65.2
597.50012	2.8
598.41339	2.2
615.49969	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	794.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	21.7
57.07080	5.0
58.76889	2.1
61.02920	4.9
62.33181	2.1
67.05143	4.9
67.05489	98.2
69.07059	39.7
69.11674	2.1
70.68089	2.4
79.05476	56.6
81.03381	3.1
81.07041	100.0
83.04971	3.7
83.08602	18.1
85.02891	3.9
85.05595	2.2
85.06541	4.7
87.04459	4.4
91.05458	33.6
93.07024	64.8
95.04946	12.9
95.08589	74.0
97.06522	5.1
97.10135	4.7
105.07025	26.1
105.25051	2.4
107.08570	37.4
109.10133	29.1
115.28230	2.2
117.06960	5.4
119.08558	23.6
121.10127	27.4
123.11684	10.8
131.08534	11.5
133.10106	18.1
135.08037	3.2
135.11676	17.2
145.10129	11.8
147.11674	6.1
149.13211	4.3
151.90962	2.8
157.10266	2.6
159.11716	3.0
161.13266	5.1
163.14949	3.4
173.13200	3.9
249.20967	3.2
253.14363	3.2
261.22119	12.3
289.70349	2.4
307.22748	2.9
335.25735	54.3
337.27249	48.1
597.40393	8.0
597.42932	5.2
597.49408	22.7
599.08240	2.7
615.49756	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	796.52
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	32.6
57.07063	4.9
61.02938	7.7
66.17738	4.8
67.05491	96.0
69.03387	6.2
69.07058	58.0
71.08614	5.9
78.52184	5.2
79.05471	60.7
81.07044	100.0
83.04939	7.2
83.08590	22.4
83.68034	5.1
91.05470	46.5
93.07027	59.1
93.71943	4.9
95.04934	12.8
95.08585	69.6
97.02882	9.3
97.10120	10.9
105.07018	34.6
107.08565	32.7
109.10133	24.3
117.06962	7.9
119.08558	23.9
121.10117	20.8
125.09607	10.7
131.08511	10.6
133.10098	12.9
135.11678	8.8
139.73132	5.5
145.10139	6.1
147.07974	6.7
147.11670	8.0
159.11649	5.2
163.10991	5.5
223.13243	10.0
247.16791	6.3
287.56766	6.7
291.19440	67.0
309.24072	52.4
335.25717	6.9
336.25854	7.7
338.27567	7.0
365.23175	34.8
599.42700	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	0.7
57.03429	11.7
57.07064	1.1
60.52388	0.4
61.02912	2.1
62.36606	0.5
62.37000	0.5
65.03918	2.0
67.05491	49.0
69.03400	3.8
69.07053	24.8
71.04973	3.4
73.06551	0.5
76.55967	0.7
79.05473	52.3
79.68588	0.5
81.03397	4.3
81.07037	100.0
83.04958	4.8
83.08599	13.9
85.02885	3.3
85.06535	0.6
91.04882	1.1
91.05457	33.7
92.09365	0.8
93.07024	50.0
95.04953	11.5
95.08583	47.5
97.02888	2.9
97.06503	6.1
97.10159	1.2
99.08086	1.2
105.04507	1.0
105.07008	17.7
107.04935	9.3
107.08571	24.8
109.06501	27.4
109.10146	17.4
111.04424	0.6
111.08056	3.3
113.05989	1.1
115.05420	0.9
117.06995	10.8
119.08555	21.2
121.06480	4.5
121.10113	18.8
123.04369	0.8
123.08054	5.8
123.11682	3.3
125.09602	0.7
129.06958	2.8
130.07738	0.7
131.08545	18.3
133.06462	2.1
133.10092	10.6
135.08035	9.9
135.11671	9.1
137.09587	11.4
139.11151	2.1
143.08565	2.7
145.06499	1.1
145.10121	10.8
147.08046	2.5
147.11674	4.4
149.09607	13.8
149.13199	4.1
151.07539	2.2
151.11183	2.4
153.09108	1.0
155.08600	0.8
155.10643	0.7
157.10156	0.8
159.08049	0.9
159.11682	5.5
161.09587	2.1
161.13237	1.2
163.11150	4.5
165.09059	2.1
167.10664	0.6
169.08635	0.7
169.10080	1.1
171.11725	1.1
173.09570	0.9
173.13263	3.4
175.11084	0.7
175.14862	0.8
177.09105	2.4
177.12701	0.8
177.16321	0.7
178.09895	0.6
183.11578	0.5
185.11684	0.9
185.13237	1.3
187.11234	0.8
187.14780	2.3
201.16432	3.7
211.14716	0.9
219.17432	2.6
229.15880	2.9
239.12759	0.8
243.21089	0.9
245.46751	0.6
247.16876	10.6
261.21942	4.7
265.17902	7.1
312.92657	0.5
321.20535	13.6
333.24219	0.5
335.25739	45.7
339.21548	27.4
445.33154	0.8
581.41907	29.3
599.42944	41.0
600.43646	1.0
728.14398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
55.05506	25.5
57.03427	9.8
57.07073	3.8
65.03927	2.6
67.05494	96.4
69.03426	10.6
69.07061	20.4
71.04949	1.5
73.02904	1.9
79.04787	1.7
79.05476	66.6
81.03394	9.9
81.07042	100.0
83.04236	1.5
83.04980	2.6
83.08617	8.7
85.02900	10.1
85.84113	1.3
91.05470	42.9
91.06010	2.7
93.07025	85.1
95.04921	11.2
95.08591	75.3
97.02891	8.3
97.06534	2.5
97.10168	7.1
104.87246	1.6
105.04534	2.1
105.07016	39.1
107.08583	46.8
109.02939	1.9
109.06519	2.7
109.10143	33.4
111.04478	1.5
117.07001	22.2
119.08565	27.7
121.06473	2.5
121.10126	42.9
123.11709	10.4
127.03853	1.9
128.06184	1.9
129.06987	7.3
131.08556	33.3
131.09453	2.4
133.10101	21.4
134.91179	1.6
135.08139	2.1
135.11665	28.2
137.09605	2.2
137.13243	1.8
143.08546	7.8
145.10132	22.6
147.11655	15.0
149.13240	17.5
159.11688	18.5
161.13249	11.0
163.14845	10.1
169.10091	2.4
171.11691	2.5
173.13197	16.3
175.14857	2.7
177.16290	2.4
185.13249	2.2
187.14783	10.8
201.16409	3.1
243.21059	14.4
261.22055	44.0
305.17273	1.4
335.25833	14.6
353.26758	16.7
369.24350	7.2
387.25284	7.6
405.26172	8.9
423.27301	2.9
429.49359	1.8
663.83752	1.7
787.01776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72772	35.5
67.05477	80.0
76.33180	40.0
81.07030	58.0
90.53586	45.9
93.07005	54.4
95.08580	48.2
95.80443	52.8
107.08553	49.2
119.91177	44.3
135.11697	59.2
297.94003	53.7
301.40714	50.3
335.25854	100.0
716.30731	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05507	27.9
55.05759	1.4
57.03433	18.5
57.07069	4.2
57.10357	0.7
61.02909	5.7
65.03920	3.8
67.05494	100.0
69.03412	1.5
69.07059	24.5
71.04974	1.8
71.08633	1.3
71.42289	0.7
73.02924	1.2
74.37469	0.7
77.89990	0.7
79.05474	67.0
81.07040	90.0
83.04924	0.9
83.08600	9.7
85.02879	5.2
85.06548	1.6
91.03945	1.0
91.05469	39.9
93.07026	71.7
95.04939	7.8
95.08588	67.5
97.02876	1.3
97.06492	3.9
97.10121	1.2
105.04544	1.4
105.07012	28.9
107.08578	35.8
109.06493	1.5
109.10143	27.8
111.08086	1.3
115.05462	0.9
117.06995	11.0
119.08558	23.2
121.10120	23.3
123.11686	7.8
125.09587	1.1
129.07018	1.2
129.90416	0.8
131.08537	17.3
133.10109	18.4
133.11032	1.2
135.11681	17.9
137.09497	1.1
137.13278	1.5
143.08542	1.7
145.10115	11.6
145.97224	0.8
147.11671	10.1
149.13225	9.9
157.10091	1.5
159.11681	9.3
159.17059	0.9
161.13202	7.2
163.14789	4.2
171.11638	1.7
173.13199	6.8
175.14850	3.9
177.16492	1.3
183.11662	1.3
185.13176	1.7
187.14816	3.0
193.41530	0.8
201.16389	1.1
202.32089	0.8
241.19534	1.8
243.21024	5.0
259.20496	5.7
261.22079	15.4
280.42484	0.9
317.24719	1.8
333.24167	6.9
335.25735	95.0
337.27209	7.1
539.44055	1.1
595.47217	18.1
613.48163	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	30.0
57.03431	8.0
61.02910	6.2
61.12687	6.1
62.69985	5.8
67.05495	99.4
69.07056	10.4
79.05479	71.2
81.07042	73.4
91.05473	73.6
93.07032	76.4
95.08568	61.3
105.07018	36.4
107.08591	46.7
109.10139	26.2
112.39011	6.1
117.07001	10.1
118.08603	6.3
119.08569	10.3
121.10101	26.9
131.08504	14.6
131.18436	6.5
133.10144	11.0
135.11720	15.4
143.08524	10.0
147.11742	13.1
149.13298	11.2
159.11659	11.2
171.11646	9.9
175.14812	10.0
178.07857	6.8
184.07359	11.5
185.13338	8.7
189.61472	7.3
241.19490	15.5
243.21083	8.1
259.20499	27.8
333.24265	28.2
335.25790	100.0
359.24365	7.1
437.48550	7.7
784.34473	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	790.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	9.3
67.05504	1.0
69.07042	1.2
71.07357	5.3
76.32660	0.7
76.56010	0.6
76.56398	0.7
79.57502	0.6
80.36180	0.6
81.35945	0.6
86.09689	51.7
98.98466	4.0
104.10701	2.9
107.08595	0.7
124.99973	34.9
184.07306	100.0
198.13435	0.8
234.44684	0.7
518.69623	0.7
577.96619	0.9
690.46869	1.2
738.44312	0.8
772.54083	1.4
790.55719	6.4
819.99957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	23.4
55.05509	44.5
57.03439	22.8
57.07049	2.4
61.02916	9.5
64.32813	2.1
67.05142	3.8
67.05495	98.2
69.03422	15.4
69.07066	46.4
70.79947	2.2
71.04987	4.7
73.02878	2.7
78.90588	2.0
79.05479	73.5
81.03403	52.1
81.07041	100.0
83.04993	26.5
83.08620	23.6
84.01142	2.3
85.02902	25.4
85.06538	2.7
89.18121	1.9
91.05465	84.4
93.07024	70.5
95.04930	34.6
95.08579	42.5
97.02887	10.7
97.06487	18.9
97.10158	15.4
99.08073	3.2
105.04475	2.6
105.07022	62.5
105.07727	2.7
107.04932	23.3
107.08585	46.5
109.06514	13.8
109.10139	30.9
111.04449	8.8
111.08070	12.7
117.07008	21.3
119.08559	46.8
121.06489	5.6
121.10150	19.5
123.08059	11.3
125.09618	11.7
127.03903	3.2
129.05502	4.8
129.06998	14.4
131.08560	29.0
133.10109	36.2
135.07976	7.4
135.11679	21.7
137.09596	9.1
143.08571	12.1
145.10104	26.1
147.08104	4.6
147.11699	20.0
149.09608	22.8
149.13284	5.3
151.11162	3.4
153.09100	3.2
157.08694	3.1
157.10120	15.8
159.11708	11.2
161.13208	4.4
163.11179	15.2
171.11546	2.2
173.09613	8.6
173.13313	3.4
175.11197	12.1
177.12808	2.8
177.27420	2.3
193.12256	17.0
197.13361	3.1
209.11714	2.4
211.13272	18.0
215.75536	2.4
227.12756	5.3
229.19394	2.7
253.14308	5.0
267.15842	13.0
269.17474	3.6
273.18268	3.2
275.20020	28.3
283.15393	17.2
285.16962	13.8
291.19656	3.9
293.21222	2.9
301.16556	10.7
349.23596	27.6
354.20523	2.5
365.23093	3.3
439.26816	5.0
495.29459	3.6
507.30127	2.5
539.33862	3.8
541.35107	4.2
557.34534	15.3
559.35931	13.2
575.35449	27.3
593.36548	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	780.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	22.3
57.03424	13.8
57.07071	3.3
60.08149	11.1
64.19474	2.2
67.05489	55.0
67.11606	2.2
69.07041	18.1
71.45862	2.3
72.58048	2.3
79.05463	24.1
81.07033	61.7
83.08613	9.1
86.09677	49.6
86.94917	2.4
91.05390	18.1
93.07015	34.7
95.08583	35.0
97.10147	2.4
99.27711	2.4
104.10719	2.7
105.07022	10.4
107.08581	14.2
108.15301	2.4
109.10126	21.0
113.64600	2.8
117.06995	3.1
119.08554	11.8
121.10114	17.1
123.11716	3.9
124.99980	42.1
131.08505	6.1
133.10110	3.8
135.11658	5.5
145.10094	3.3
147.11713	3.6
154.24622	2.4
159.11647	4.1
184.07286	100.0
196.62558	2.5
237.13649	2.6
261.22186	4.2
323.25687	23.3
335.25714	24.7
337.27371	3.6
502.14456	2.9
583.46619	13.2
601.48181	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	783.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21144	1.7
67.05484	2.5
69.07062	2.2
79.05457	2.3
81.03407	2.2
81.07044	4.0
86.09695	13.5
91.05492	3.0
93.07088	1.8
101.64031	1.6
102.32882	1.9
120.36520	1.7
125.00008	9.0
127.76569	1.7
128.29118	1.9
128.84395	1.8
170.97533	2.2
184.05724	2.8
184.07266	24.1
211.94841	2.0
270.71884	2.2
312.62677	2.1
410.70587	1.8
449.21494	2.7
465.21161	2.1
756.70660	2.2
783.46332	100.0
784.46777	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	783.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81413	2.0
55.05505	2.7
57.03452	1.6
61.02914	10.9
67.05493	4.2
73.02908	3.0
79.05475	3.3
81.07050	7.6
81.53820	1.9
85.02890	3.7
86.09714	2.6
90.67065	1.7
91.03934	3.4
93.07031	3.1
95.08588	3.4
97.02868	3.7
107.08572	2.6
119.08580	1.6
129.48454	1.8
184.07437	2.9
203.37856	1.9
217.39034	1.9
243.08461	1.8
244.61923	1.6
295.04788	1.8
302.14297	2.2
345.31882	1.7
505.27499	2.5
519.29303	4.0
783.50110	100.0
784.50372	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	788.543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.7
60.08155	8.6
63.84995	0.6
67.05501	1.5
67.69846	0.5
71.07357	5.9
81.07052	1.1
83.80605	0.6
86.09689	44.5
98.98444	3.0
104.10746	3.3
124.99990	31.3
138.90825	0.7
149.56270	0.7
184.07309	100.0
214.75842	0.6
321.12839	0.8
502.57648	0.9
693.26630	0.8
788.53033	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	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.3
55.05505	56.6
57.03433	22.3
61.02917	3.8
65.03896	2.2
65.76178	2.0
67.05146	3.6
67.05491	64.2
69.03408	12.4
69.07057	27.2
71.04990	7.0
71.07320	1.8
79.05060	4.0
79.05479	77.1
81.03400	82.0
81.07040	100.0
83.04967	29.9
83.08599	42.3
85.02896	32.0
91.04888	2.7
91.05458	65.6
93.06487	3.5
93.07024	51.7
95.04952	48.0
95.08575	27.0
97.02838	5.0
97.06506	15.3
97.10148	28.0
99.04419	3.1
103.05444	2.8
105.07018	46.5
107.04952	18.9
107.08588	35.0
109.06504	18.5
109.10149	16.1
111.04414	14.4
111.08048	17.8
113.06016	2.4
115.05499	2.9
117.06976	19.7
119.08572	49.2
121.06466	13.2
121.10143	21.9
123.08034	21.9
123.11633	2.6
125.09613	29.2
129.05478	2.8
129.07002	22.1
131.08556	24.3
133.06477	11.3
133.10107	25.2
135.08054	8.5
135.11668	10.5
137.09595	10.0
142.07768	2.7
143.08525	9.9
144.25957	2.1
145.06406	2.5
145.10095	17.7
146.69104	2.4
147.08089	14.9
147.11678	21.9
149.09593	10.9
153.12729	9.0
155.08473	2.3
157.10107	24.0
159.11674	3.6
161.09581	4.6
163.11127	22.4
165.09158	3.1
165.12738	3.5
169.10245	2.6
173.09567	3.5
175.11171	18.7
181.10027	2.1
181.12170	5.1
185.13155	3.1
189.11218	9.4
191.10625	3.7
193.12207	35.0
211.13243	38.6
222.79834	2.4
227.12665	14.8
245.18941	2.8
249.14799	2.8
267.15881	18.1
273.18381	21.2
285.16943	47.9
291.19504	48.0
309.20670	8.0
347.22153	4.4
365.23169	24.3
383.24292	12.4
407.18326	2.2
431.53650	2.3
471.42816	2.2
539.33789	2.9
557.34613	32.3
575.35632	55.1
580.68555	2.5
593.36847	24.9
737.39746	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	779.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.3
55.05509	69.7
57.03421	11.2
57.07067	5.5
61.14636	4.2
62.20213	4.9
65.10754	4.5
67.05486	57.0
69.07041	37.7
79.05476	75.2
81.07033	62.2
83.08598	65.1
83.14891	5.6
83.98550	5.4
91.05453	53.2
93.07014	100.0
93.08366	5.2
95.04927	12.4
95.08559	47.0
99.04485	6.2
105.06984	32.1
107.08578	59.7
109.10136	12.6
111.08102	8.9
117.06992	38.7
119.08539	25.9
121.10116	40.7
131.08522	26.9
132.23927	5.5
133.10121	10.2
135.08073	5.3
135.11708	5.4
137.09579	10.0
137.29082	6.1
145.10088	9.4
149.09589	28.5
163.11119	5.4
177.09116	6.4
219.17389	29.9
225.00519	5.1
247.16815	9.2
265.17831	8.4
274.60434	6.0
335.25790	60.9
337.67447	6.2
339.21579	13.1
567.45831	5.9
599.43536	49.4
779.43640	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	780.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	33.8
57.03421	15.2
57.07059	5.9
59.44157	2.4
59.58952	2.5
60.04440	2.2
65.03893	2.9
67.05492	81.7
69.07051	19.8
69.19104	2.9
70.17942	2.4
71.04962	4.4
79.05478	79.5
81.07040	70.2
83.04971	3.0
83.08587	11.0
86.09702	4.4
91.05466	100.0
93.06481	4.4
93.07028	78.3
94.86060	2.6
95.04944	10.0
95.08579	58.3
97.06464	3.4
105.07016	93.1
107.04929	3.6
107.08578	34.1
109.10152	25.7
117.07021	23.1
119.08564	69.3
121.10130	36.1
123.11690	3.6
129.07002	34.6
131.08542	33.9
133.10115	66.2
135.08043	4.1
135.11649	19.2
141.06944	4.3
142.07811	4.4
143.08569	20.2
145.10094	27.9
147.11696	47.0
149.09563	4.0
149.13235	6.2
149.24472	2.9
153.70631	2.8
155.08525	3.5
156.09315	3.2
157.10086	26.1
159.11671	13.1
161.13223	4.1
161.33186	2.8
163.11142	2.6
169.10205	5.0
171.11647	36.8
173.13232	11.3
183.11697	3.5
184.07321	11.9
185.13216	5.0
187.14848	10.1
203.17892	11.5
211.78601	3.8
213.16406	28.7
215.17920	2.6
230.86636	2.4
231.17403	36.3
233.18990	3.2
257.56323	2.8
259.20526	5.1
305.21063	17.7
335.25720	31.9
583.43433	38.9
658.88135	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	780.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	37.9
57.03417	16.7
57.07067	4.9
62.74982	3.6
63.34239	3.5
67.05497	85.5
69.07059	28.2
71.08626	3.6
77.46832	3.6
79.05485	92.2
81.03397	7.4
81.07034	69.9
83.08598	9.8
91.05468	81.0
92.63454	3.9
93.07028	100.0
95.04939	16.7
95.08597	60.9
101.46419	4.6
105.07011	67.0
106.27443	4.5
107.08578	31.5
109.06533	6.5
109.10126	14.5
117.06994	19.2
119.08550	59.9
121.10114	38.0
129.06976	10.0
131.08546	36.7
133.10120	28.3
135.08002	4.6
135.11703	7.7
143.08549	19.7
145.10075	20.0
147.11627	28.2
149.13358	4.5
157.10123	9.2
159.11682	17.8
161.13229	5.8
163.11185	6.4
169.10152	4.6
171.11639	9.2
173.13199	5.4
185.13211	4.5
204.44173	4.0
215.17857	6.4
231.17247	4.1
241.19516	6.3
259.20517	22.2
307.22562	45.8
321.20810	5.1
333.24188	17.3
335.25720	5.0
484.22986	4.7
583.43683	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	29.1
57.03428	24.7
57.07058	4.1
61.02896	4.7
63.71556	3.1
64.16582	2.3
67.05149	3.7
67.05492	86.1
69.07043	17.6
71.04972	3.4
76.90927	2.4
79.05475	81.7
81.03388	12.6
81.07037	67.4
81.27061	2.8
83.08602	16.7
86.09691	5.1
91.05460	80.9
93.07019	100.0
95.04943	15.3
95.08582	47.4
105.07016	78.1
107.08574	34.3
109.10108	17.4
111.08104	3.7
117.07000	21.9
119.08559	50.3
121.10133	34.5
123.11691	3.2
125.67484	3.2
129.06985	6.6
131.08534	31.1
133.10104	38.2
135.11658	13.7
143.08539	6.8
145.10075	24.7
147.11681	33.4
149.13263	6.7
155.08490	3.7
157.10075	15.3
159.11656	16.8
161.13245	12.3
163.11165	2.8
163.14740	3.6
171.11641	13.2
173.13235	5.9
175.14911	4.4
184.07326	11.4
185.13235	2.8
187.14760	3.9
213.16350	5.6
231.17409	6.7
241.19547	3.5
259.20532	15.6
268.16156	3.0
279.50623	2.9
305.20877	3.8
307.22656	36.8
333.24173	17.6
335.25888	5.1
425.48322	3.2
533.41376	4.0
565.42084	11.7
583.43671	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05502	1.9
57.03426	2.9
59.04988	0.8
59.67822	0.3
61.02919	6.7
65.03925	0.4
67.05503	5.8
69.03426	5.1
69.07064	0.9
71.04974	0.9
73.02890	4.3
79.05470	4.5
81.03394	5.3
81.07041	6.8
83.08607	0.9
85.02895	6.0
87.04449	0.6
91.03937	3.4
91.05477	4.4
93.07026	5.2
95.04985	1.9
95.08592	4.0
97.02876	5.4
97.06535	0.7
99.04491	0.7
101.02364	0.9
105.07022	3.0
107.08597	2.5
109.06543	0.5
109.10151	1.9
109.58074	0.4
119.08588	2.6
120.35330	0.4
121.06420	0.6
121.10133	3.1
127.03944	2.2
129.07027	0.8
131.08574	2.4
133.10150	1.0
147.11711	2.2
149.09637	1.9
175.11148	0.5
193.12225	0.7
211.13333	0.4
225.14885	0.5
243.08476	3.0
267.15930	0.7
283.15036	6.6
311.27933	0.4
335.25800	0.4
339.17880	1.0
391.29630	0.6
479.60248	0.4
501.22961	13.2
508.25815	0.4
519.29236	6.6
520.87317	0.5
543.71161	0.4
755.47687	0.5
779.45422	100.0
780.45599	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	778.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81480	2.5
55.05499	28.6
56.07592	2.2
57.03434	21.9
57.07082	2.9
59.00682	2.2
61.02907	11.0
67.05141	4.2
67.05490	100.0
69.07056	27.7
72.47982	2.5
79.05010	2.6
79.05474	71.2
81.07039	95.3
83.08591	5.4
85.02884	9.4
86.09684	14.3
91.05442	44.4
93.07019	78.3
95.04935	4.5
95.08582	72.7
98.14962	2.4
105.07004	35.9
107.08571	45.1
109.10136	32.9
117.07031	9.2
119.08543	30.3
121.10124	22.7
123.11680	12.2
124.99971	3.5
129.07001	2.8
131.08571	18.8
133.10104	19.9
135.11684	22.3
145.10104	25.2
147.11652	14.9
149.13239	6.2
157.09851	2.9
159.11668	12.7
161.13205	10.8
173.13243	3.5
184.07317	24.3
187.14777	3.5
199.14969	3.8
222.36606	2.4
229.19608	2.7
247.20601	5.5
261.22083	5.4
321.24158	38.3
323.25818	5.4
335.25751	51.5
502.22433	2.9
581.45331	15.4
599.46387	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	779.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.2
56.81630	0.1
62.93544	0.2
69.03426	0.3
75.17481	0.2
76.56181	0.2
85.02878	0.4
85.58162	0.2
91.05424	0.3
97.02867	0.3
100.11250	0.8
127.03922	0.2
131.04880	0.3
132.03941	0.2
137.05991	0.8
147.04370	0.3
151.03922	0.2
159.04300	0.3
189.05206	1.1
204.01573	0.2
204.07553	6.8
205.08463	0.2
209.16272	0.2
217.08377	0.3
241.98080	0.2
313.14856	0.2
320.11823	0.2
349.97198	0.2
401.15646	100.0
402.16083	1.7
535.84601	0.2
536.28638	0.2
639.43976	0.2
736.19934	0.2
778.60474	0.4
779.61963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92125	0.1
55.05484	0.2
70.06553	0.3
73.17516	0.2
79.76379	0.2
83.08588	0.2
85.02872	0.3
86.96690	0.2
91.05484	0.2
97.02867	0.2
99.70726	0.2
100.11231	0.4
109.02863	0.2
111.02430	0.2
124.82217	0.1
137.05965	0.9
145.10098	0.1
147.04439	0.2
151.03871	0.2
159.04158	0.2
161.05951	0.2
163.07524	0.2
182.19034	0.3
189.05223	1.1
204.07539	6.8
270.10599	0.2
361.08099	0.2
401.15622	100.0
402.15973	1.7
729.63348	0.2
778.61798	0.3
779.62408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
57.03454	2.0
60.82069	1.5
61.02922	3.2
67.05504	3.4
68.21661	1.4
69.03420	1.8
69.07039	2.1
73.02914	1.6
79.05483	3.4
81.03420	5.9
81.07053	8.8
83.05003	1.8
85.02913	6.9
91.05478	9.0
93.07055	2.4
95.04972	2.9
95.08640	1.7
97.02879	3.8
97.36684	1.3
99.46319	1.5
105.07031	3.5
107.08604	3.0
119.08566	2.9
121.10141	2.3
127.03915	2.0
133.10095	2.0
154.62437	1.4
163.50677	1.5
169.54616	1.6
243.08394	2.4
262.06439	1.4
280.96844	1.6
469.20584	10.2
551.28552	2.7
635.60645	1.7
779.41791	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	779.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
57.03420	3.5
57.12081	0.5
58.04667	0.5
61.02921	6.3
67.05499	3.6
69.03423	5.1
69.07042	2.7
69.43543	0.5
71.01310	0.5
73.02908	4.6
74.82334	0.6
79.05463	4.0
81.03410	4.8
81.07047	7.1
81.90753	0.7
83.04971	0.7
83.08172	0.6
83.08626	2.3
85.02882	7.2
87.04446	1.1
91.03941	2.6
91.05436	5.3
93.07005	4.1
95.04942	2.3
95.08591	1.2
97.02870	3.9
99.04474	0.8
101.02358	1.0
103.05441	0.5
105.07013	5.2
107.04951	0.9
107.08605	1.5
109.06514	0.7
109.10126	0.9
111.08092	0.6
119.08566	2.7
121.10120	1.1
127.03912	1.2
131.08530	1.3
133.10165	2.0
147.11691	2.7
149.09650	1.1
150.27774	0.6
157.10178	0.9
158.93192	0.6
163.11060	0.7
175.11169	0.7
193.12166	1.1
243.08397	4.5
249.59555	0.6
251.12439	1.0
333.20300	5.4
469.20392	13.3
551.28143	7.6
640.91565	0.7
685.48181	0.8
779.41693	100.0
780.42157	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	779.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.2
56.32672	0.3
57.03429	3.1
59.04990	0.9
60.61415	0.3
61.02912	6.3
64.48798	0.4
67.05493	7.6
67.24532	0.4
69.03416	3.3
69.07056	1.7
70.79852	0.4
71.04964	0.9
73.02905	5.2
79.05472	5.4
81.03399	4.7
81.07030	7.9
83.08617	1.1
85.02888	6.0
87.04445	0.5
91.03927	3.3
91.05470	4.3
92.08672	0.6
93.07030	5.3
95.04974	1.8
95.08594	4.4
97.02872	5.9
97.06479	0.6
97.10171	0.5
99.04475	0.4
101.02367	2.4
103.03938	0.5
105.07029	2.9
107.08603	2.9
109.06538	0.6
109.10155	2.5
114.74786	0.4
119.08569	2.2
121.10130	3.1
125.09676	0.6
127.03903	0.9
129.06975	0.6
131.08568	2.2
133.10136	2.0
135.11771	0.7
147.11722	2.2
149.09630	1.0
157.10097	0.5
185.04205	0.7
193.12265	0.8
225.15067	0.5
229.14375	0.8
243.08313	3.4
267.16040	0.7
270.48013	0.5
283.15115	6.0
305.12576	0.5
318.58273	0.5
335.25784	0.7
339.17819	0.7
437.28296	0.4
501.22934	10.1
519.29163	6.5
779.45398	100.0
780.45557	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	777.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81472	0.8
55.01853	4.6
55.05508	11.1
55.59068	0.8
57.03429	8.5
57.07063	1.1
62.78884	0.8
65.03913	1.1
67.05497	29.8
69.07063	11.0
71.04976	2.1
79.05482	42.8
81.03407	19.6
81.07044	100.0
82.03714	1.6
82.07378	1.4
83.04960	4.9
83.08601	5.4
85.02880	4.9
85.06497	0.9
89.31886	0.8
91.05469	25.7
93.07031	29.4
95.04941	12.2
95.08591	20.4
97.06496	1.9
97.10155	1.7
99.04415	1.2
105.07024	17.1
107.04944	5.0
107.08588	15.2
109.06508	50.3
109.10132	7.1
111.08070	1.7
115.05498	1.1
117.07013	8.3
119.08563	16.2
121.06454	6.2
121.10123	6.6
123.08051	4.6
125.09613	4.7
128.06198	1.3
129.06973	8.4
131.08551	9.4
133.10089	7.4
135.08037	5.7
135.11662	1.9
137.09608	2.2
143.08580	6.4
145.10094	5.9
147.08014	6.4
147.11691	3.4
149.09605	4.6
153.09088	4.6
157.10146	6.4
159.11665	1.5
161.09575	1.8
161.13248	1.2
163.07564	1.6
165.09047	3.8
165.54028	0.9
171.11646	1.1
173.13190	4.1
175.11153	1.5
175.14862	0.8
181.08521	1.4
183.10094	1.5
193.12198	1.4
199.14821	11.6
201.16348	5.8
211.71043	0.8
217.15829	14.2
245.15320	9.6
248.34111	0.9
254.82091	1.0
263.16418	8.3
267.15887	10.1
268.16180	1.8
316.82040	0.9
319.18924	4.2
335.25714	17.2
337.20026	6.1
337.27261	8.6
338.27652	4.6
402.30719	1.1
424.11237	0.9
433.65729	1.0
443.31454	1.1
457.31439	1.0
506.38525	1.0
529.38666	6.0
530.39246	6.6
546.97015	1.0
547.39703	4.6
548.39868	5.6
579.40527	6.3
597.41608	20.5
777.42181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81876	5.8
55.01878	8.8
55.05503	33.9
57.03418	7.5
67.05495	62.8
69.03415	9.6
69.07051	25.7
78.63476	4.4
79.05473	68.2
81.03400	21.1
81.07043	100.0
83.04961	5.8
83.08610	9.9
91.05437	38.0
93.07044	47.3
95.04951	10.0
95.08601	55.4
105.07010	28.8
107.04964	7.7
107.08585	9.2
109.02852	8.0
109.06526	32.5
109.10150	24.0
117.06967	10.7
119.08540	28.0
121.10126	18.5
123.04356	6.0
131.08528	22.3
133.10130	9.8
135.08040	6.2
137.09691	5.8
145.69136	5.4
149.09607	7.5
159.08018	7.6
159.11716	5.7
173.09607	5.8
183.11630	5.7
335.25726	32.0
391.20853	5.9
581.41663	28.6
743.47021	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.3
56.24634	7.1
67.05493	57.0
68.12901	7.7
74.47530	7.3
79.05468	46.3
81.07044	64.2
84.41396	8.4
91.05457	14.8
93.07021	58.3
95.08607	31.6
107.08558	18.6
108.15724	9.8
109.10167	10.9
116.06291	9.3
117.07048	9.5
121.10117	12.0
131.08528	12.0
140.70470	8.5
145.10165	10.4
171.44283	8.6
200.99026	9.3
307.22583	91.5
335.25763	100.0
344.72870	9.4
390.49921	9.5
567.43811	39.0
743.28583	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	776.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	29.2
55.42694	3.1
57.03430	28.0
57.07077	6.0
67.05490	71.0
69.03405	3.4
69.07050	21.0
71.04990	3.5
79.05476	33.8
81.03400	100.0
81.07039	72.6
83.08595	32.4
91.05442	25.5
93.07017	32.1
95.04955	32.2
95.08586	53.6
97.06560	4.0
97.10162	6.5
98.21068	3.8
105.07026	26.1
107.08587	19.5
109.10147	17.0
111.08079	4.7
119.08575	26.4
121.10139	15.8
123.11695	4.3
129.07008	5.5
131.08636	6.5
133.06465	4.0
133.10103	6.2
138.98715	3.3
147.11687	13.8
149.09521	3.6
150.38617	3.7
157.10123	13.3
175.11223	13.7
193.12256	24.3
195.07915	3.4
243.05249	3.6
248.71265	3.6
250.19562	3.2
267.15854	85.9
337.27374	66.0
455.35721	4.5
529.38788	60.8
547.39899	48.6
570.84857	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	776.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.0
55.05510	29.4
57.03433	27.3
57.07061	5.8
59.64011	2.8
65.44956	2.3
67.05494	86.6
69.07055	30.4
69.21534	2.4
74.84965	2.8
76.95927	2.2
79.05489	28.6
81.03402	100.0
81.07040	78.8
83.04968	5.8
83.08599	33.5
91.05463	37.7
93.07008	32.2
95.04946	36.2
95.08580	55.1
97.06517	3.8
97.10155	10.9
98.73970	2.6
103.89458	2.7
105.07032	31.8
107.04974	6.2
107.08577	21.8
109.10148	22.9
111.08058	11.7
119.08579	22.7
121.10136	15.0
123.04395	3.5
123.11671	4.8
125.09660	3.0
129.06998	15.5
131.08562	15.5
133.10101	16.9
135.11642	2.9
137.09607	3.4
142.07753	3.4
145.10071	3.3
147.11691	17.0
149.09625	6.7
157.10097	10.4
175.11189	11.6
193.12195	27.0
245.22552	3.8
255.13959	3.4
263.23721	4.6
267.15860	90.3
280.81055	3.0
325.98459	2.6
337.27380	59.5
381.93494	2.7
384.09555	2.7
529.38739	65.0
547.39758	45.9
571.40363	2.8
776.44177	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	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.3
57.03439	2.0
61.02905	6.5
67.05494	11.0
69.03423	3.4
69.07064	3.2
70.88960	1.6
71.63970	1.5
73.02909	4.1
79.05483	9.9
81.03419	8.1
81.07042	8.9
83.08625	3.4
85.02908	9.4
91.05460	6.9
93.07023	9.8
95.04935	3.4
95.08589	3.9
97.02904	6.4
105.07011	7.6
107.04924	1.7
107.08567	3.8
109.10144	1.9
119.08583	3.4
119.78750	1.6
131.08601	2.3
133.10135	3.5
137.09506	1.8
147.11711	2.6
147.55522	1.6
157.10263	1.8
165.12741	1.8
168.92278	1.7
193.12195	2.8
243.08279	2.2
353.10272	1.8
467.18765	8.0
469.20499	7.6
551.28046	2.0
568.14612	2.1
672.28833	1.8
715.86359	2.2
777.40167	100.0
778.41620	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	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.1
55.05234	1.8
55.05502	54.1
57.03426	21.4
57.07061	1.9
59.04986	2.1
61.02909	6.6
65.03917	3.3
67.05490	100.0
69.03401	3.9
69.07051	20.3
71.04967	5.2
73.02877	1.2
76.55769	0.9
79.05473	46.3
81.03390	4.6
81.07036	62.6
83.04951	6.9
83.08598	17.2
85.02877	12.7
85.06525	3.4
87.04448	4.1
91.03920	1.3
91.05456	27.8
93.07024	43.3
94.24586	0.8
95.04948	5.6
95.08581	38.3
97.02857	3.9
97.06498	3.6
97.10142	18.8
99.08035	0.9
105.07001	16.3
107.04943	1.7
107.08575	27.3
109.06515	1.9
109.10143	50.6
111.08041	3.5
117.06979	7.1
119.08556	14.2
121.10106	16.4
123.11654	4.1
125.09601	13.3
128.06036	0.9
129.07019	2.0
131.08546	10.4
133.10129	8.4
135.11668	12.2
137.09593	3.2
139.11220	0.9
143.10577	1.5
145.10106	9.0
147.07948	1.2
147.11661	4.6
149.09563	1.1
149.13196	4.6
155.10628	1.4
157.10118	1.7
159.11655	4.2
161.13216	1.5
163.11131	4.8
163.14867	1.3
173.11691	9.6
173.13235	3.6
191.10518	1.2
197.13171	1.1
199.13298	4.7
227.12787	1.8
229.14281	25.3
243.21100	3.3
245.13922	1.0
261.22086	8.9
267.15808	1.7
301.16357	9.0
317.24683	1.8
335.25735	44.2
336.26126	0.9
343.26376	1.0
451.31973	1.1
477.35574	6.2
489.35657	10.7
543.36609	3.4
561.37817	7.1
579.95886	1.0
633.01294	0.9
652.85815	1.1
809.36743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
55.05508	48.6
57.03430	20.9
57.07071	1.6
59.04990	1.6
61.02919	2.6
61.78619	1.0
67.05495	100.0
69.03419	2.3
69.07056	19.6
71.01316	1.0
71.04976	5.0
72.14729	1.1
73.02884	1.7
74.54307	1.1
76.55927	1.0
76.56491	1.3
79.05480	49.4
79.48577	1.0
81.03397	4.8
81.07041	61.8
83.04964	7.7
83.08613	11.7
84.39611	1.1
85.02885	14.3
85.06522	2.8
87.04459	4.4
90.29960	1.0
91.05459	26.2
93.07027	47.4
95.04964	8.4
95.08585	35.7
96.79099	1.1
97.02892	5.0
97.06499	2.4
97.10154	14.9
99.04470	1.3
105.07006	16.0
107.04947	1.5
107.08584	23.6
109.06509	2.7
109.10147	50.8
111.08091	2.2
117.06998	7.4
119.08551	13.8
121.06481	1.3
121.10110	16.4
123.08049	1.2
123.11691	4.3
125.09624	9.6
129.06987	2.1
131.08554	10.1
133.10106	6.8
135.08118	1.3
135.11684	9.4
137.09673	1.7
137.10715	1.2
143.08575	1.5
145.10106	10.0
147.11656	4.9
149.09625	1.6
149.13268	2.2
159.11670	5.8
161.13240	2.2
163.11153	2.0
163.14732	1.7
173.11728	9.5
173.13129	3.1
175.15030	1.2
199.13284	5.9
209.11636	1.3
227.12711	2.0
229.14308	29.4
243.21022	2.2
258.64804	1.4
261.22180	6.6
278.16959	1.4
283.15225	1.5
301.16199	10.0
333.24301	1.3
335.25745	43.1
341.24780	1.3
394.07275	1.2
451.32346	1.5
455.40439	1.5
477.35593	6.2
489.35623	7.9
525.35248	1.6
543.36591	5.6
561.37708	8.5
579.38489	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
62.06232	0.6
64.27680	0.6
65.25249	0.6
69.03409	1.3
69.06198	0.6
70.06579	1.0
77.99939	0.5
79.25357	0.5
85.02886	4.8
91.05456	7.4
95.04935	2.7
97.02860	0.9
99.04433	0.8
103.05418	1.1
105.07016	0.9
107.04932	3.8
108.25579	0.6
109.06475	2.8
111.04443	0.7
115.05441	1.0
117.03438	0.5
117.07044	1.0
119.04919	8.1
121.06464	3.8
122.03631	1.1
125.05987	1.0
127.03899	0.5
129.06985	7.6
130.20634	0.6
131.04903	3.1
131.08507	0.6
133.06453	1.2
135.08051	2.5
136.05167	0.9
137.05956	47.4
145.06432	2.5
147.04390	1.4
149.05948	7.2
150.06760	0.7
151.02031	0.6
151.03973	1.2
151.07524	50.2
157.06462	6.8
159.08046	0.7
161.05948	9.8
161.09557	1.2
162.06688	1.2
163.07506	12.0
165.06941	1.1
165.09053	3.1
167.08527	3.8
174.06731	3.0
175.07527	5.8
177.09068	6.6
179.08553	0.6
189.09070	20.0
192.09242	0.6
193.06418	2.6
193.10080	2.7
195.08006	8.9
195.09692	0.7
196.08626	0.6
197.05812	0.7
201.09125	0.8
207.10147	3.2
209.09686	1.0
210.06767	0.7
211.07373	1.1
212.08324	1.3
220.08815	0.7
221.05997	5.0
221.09554	6.0
223.07469	5.5
223.84981	0.6
225.09123	5.7
225.10989	0.7
227.10625	15.3
235.07379	0.9
237.09027	1.2
238.06142	0.8
238.09790	0.8
239.06998	2.2
239.10567	1.1
240.07764	2.3
241.08444	0.7
241.12178	0.8
249.08986	3.2
251.10483	0.8
252.07596	0.7
253.08534	8.3
253.12233	6.6
254.09309	0.9
255.10063	12.8
265.08612	0.8
267.10175	3.7
269.07819	2.1
269.11746	1.3
270.08963	0.8
271.09631	1.1
272.10342	3.9
281.11710	4.4
284.10294	0.8
285.11169	11.8
286.11905	4.3
287.09842	1.1
287.12747	18.1
297.11111	2.6
298.11963	0.9
299.12698	1.1
301.14197	0.7
311.12836	0.8
313.14240	11.6
316.12921	3.9
330.14572	23.7
331.15366	13.6
342.14313	1.0
348.28802	0.6
372.15186	0.7
387.17993	0.7
405.19000	100.0
406.19250	2.3
417.18915	2.3
513.49103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.5
56.11946	1.7
56.96554	32.9
57.03413	1.8
60.41267	1.8
67.05486	8.0
79.05463	3.8
81.03405	3.6
81.07035	9.4
84.96003	3.7
91.05473	8.3
93.07008	7.9
95.04966	3.2
95.08591	9.6
98.97556	100.0
105.06980	3.9
107.08546	3.0
107.76268	1.7
110.97571	18.4
112.99101	22.1
116.98602	69.5
119.08566	3.2
124.99075	2.4
128.98576	33.6
131.00148	50.6
131.08443	2.3
132.12592	1.8
134.99634	21.6
140.98563	2.7
142.49382	2.2
143.00171	16.1
145.10114	2.1
146.99626	35.6
149.01199	76.3
152.98595	2.2
158.99620	34.5
161.01196	25.7
162.99084	2.1
167.02252	24.8
170.99611	41.7
173.01231	12.7
177.00679	62.9
178.38220	2.0
179.02242	4.6
185.01184	8.9
189.00679	71.9
191.02219	15.7
195.01759	9.0
199.02744	9.3
201.00676	15.3
203.02214	17.5
207.01767	7.1
213.00699	3.3
215.02257	3.3
217.03807	11.8
219.01773	29.0
222.36858	2.1
227.02243	4.4
231.01717	6.8
233.03366	2.7
237.02762	19.1
261.02747	35.0
275.04294	11.2
279.03802	42.8
291.03723	2.7
293.05392	51.9
297.04819	8.1
303.03534	2.2
309.04965	7.0
311.06381	14.9
317.17841	36.8
321.04883	73.5
335.18982	18.5
339.05865	11.4
381.07056	8.2
437.09827	22.0
455.10648	38.8
539.24884	3.4
553.26184	4.3
560.36218	2.2
715.20605	3.3
715.31921	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	775.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.9
56.96553	29.5
63.68025	4.2
67.05484	22.6
69.07055	8.2
74.77669	3.8
79.05466	20.7
81.03394	4.9
81.07056	33.3
83.08600	5.4
84.99953	4.3
91.05460	23.7
93.07029	24.0
95.04950	10.3
95.08587	10.5
98.97562	100.0
105.07016	23.8
107.04931	7.3
107.08582	5.3
109.06491	5.6
109.10163	5.7
110.97554	27.0
112.99129	19.4
116.98595	80.3
119.08546	10.1
128.98605	48.5
131.00133	63.4
133.10107	7.2
134.99680	33.5
143.00150	19.7
145.10167	5.6
146.99640	35.5
149.01205	86.8
158.99628	52.8
161.01155	39.7
167.02234	34.6
170.99596	53.1
173.01195	18.3
177.00665	76.7
185.01166	7.6
189.00684	83.7
191.02275	20.4
195.01685	5.9
199.02777	21.8
201.00645	19.8
201.52969	6.0
203.02310	20.5
207.01735	7.4
213.00620	9.8
217.03873	8.2
219.01730	32.5
229.39629	4.6
231.01768	6.7
237.02802	20.7
261.02686	35.3
275.04309	7.2
279.03821	50.2
280.93430	4.7
293.05417	66.8
297.04910	9.7
311.06427	22.7
317.17722	42.0
321.04941	86.6
335.18768	19.7
381.07288	5.0
437.09500	24.3
455.10721	48.4
513.63739	4.5
539.25018	7.0
577.36810	5.5
715.32153	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.2
55.05506	21.0
57.03428	22.8
57.07060	2.4
61.02914	1.5
65.03930	2.1
67.05494	67.8
69.03414	1.9
69.07050	16.9
71.04964	5.2
71.08614	1.1
73.02876	0.9
79.05477	48.9
80.86908	0.9
81.03400	100.0
81.07040	66.8
81.07539	1.2
83.04955	8.1
83.08605	26.6
84.73944	1.0
85.06516	1.3
91.05460	36.3
93.07023	53.9
95.04940	33.6
95.05521	1.8
95.08588	43.2
97.02866	4.3
97.06514	5.3
97.10163	8.7
98.04748	1.1
99.08047	1.2
105.07014	33.4
107.04947	8.6
107.08585	30.1
109.06516	5.2
109.10152	19.9
111.08071	7.1
117.07005	8.4
119.08566	24.4
121.06499	3.8
121.10112	24.5
123.08062	3.8
123.11691	5.6
123.68721	0.9
125.09605	4.8
127.09187	0.9
129.06984	12.7
131.08546	21.0
133.06464	2.3
133.10101	18.7
135.11646	13.2
137.09639	1.3
142.07761	4.7
143.08569	4.5
145.10127	8.5
147.04237	1.3
147.08049	5.3
147.11697	13.7
149.09615	5.1
149.13234	5.5
157.10146	12.7
159.11626	7.7
161.09712	1.1
161.13269	5.9
163.11127	4.0
163.14830	1.5
165.12787	2.1
173.13214	7.4
175.11134	10.2
175.14835	2.0
185.13191	1.5
187.14836	2.2
193.12204	20.1
199.14818	1.3
211.13177	1.3
227.12823	4.7
241.19354	1.0
243.21016	4.2
249.14735	3.4
261.22058	13.1
267.15869	65.4
301.25302	4.2
317.24869	1.9
335.25735	61.9
357.37820	1.0
417.26291	1.2
435.27216	1.6
435.32559	2.4
453.33444	4.7
471.34326	1.6
474.68845	1.0
527.37183	50.5
545.38269	44.5
569.38605	2.2
623.38574	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.1
55.05505	22.2
57.01982	0.6
57.03430	26.0
57.07071	1.8
65.03913	0.9
67.05493	58.4
69.03408	3.4
69.07056	17.7
71.04973	3.8
78.05396	0.8
79.05474	45.4
81.03398	100.0
81.07038	60.2
81.13719	0.7
82.70506	0.8
83.04977	6.4
83.08599	20.5
85.02904	1.0
85.06538	1.8
91.04890	1.3
91.05457	35.4
91.06004	1.6
91.35754	0.7
93.07023	46.7
95.04946	30.0
95.08585	43.7
97.02888	3.4
97.06515	3.6
97.10148	6.9
99.08080	1.4
105.07012	28.3
107.04934	7.4
107.08582	27.4
109.06509	4.3
109.10143	17.2
111.08066	9.6
117.06987	9.2
119.08561	28.3
121.06489	4.4
121.10127	21.0
123.04395	0.8
123.08049	4.9
123.11714	4.9
125.09595	5.7
128.06184	1.0
129.06955	13.0
131.08546	20.0
133.06465	4.6
133.10097	13.7
135.08031	1.5
135.11668	10.8
137.09592	1.6
141.07022	1.0
142.07774	4.0
143.08543	2.0
145.06464	1.0
145.10092	9.9
147.08047	1.8
147.11668	12.3
149.09589	5.8
149.13239	5.8
157.10133	11.0
159.11626	6.4
161.09601	1.0
161.13235	4.3
163.11186	1.9
163.14799	3.5
165.12769	1.4
171.11665	1.5
173.13228	5.2
175.11145	10.6
175.14784	1.4
185.13374	0.8
187.14899	1.1
189.11285	0.9
193.12222	20.8
199.14946	0.8
200.61252	0.8
207.28015	0.8
227.12823	6.0
243.21097	3.5
249.14693	1.0
261.22113	9.2
267.15854	69.0
299.82285	0.9
301.25235	3.5
309.16852	1.2
312.27505	0.9
317.24658	1.6
325.21350	0.9
335.25735	50.3
435.27176	1.1
435.32397	4.6
453.33521	5.1
467.42874	0.8
471.34564	4.5
491.34656	0.9
509.36435	3.4
527.37244	49.8
545.38287	44.2
545.46643	1.7
569.38135	1.8
577.40332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.4
55.05509	19.2
57.03428	17.8
57.07052	2.1
61.02914	6.7
63.70542	1.3
67.05145	3.0
67.05492	74.7
67.05852	2.6
69.07057	18.6
70.71770	1.6
71.04969	6.9
79.05482	33.7
81.03409	5.9
81.07035	59.6
83.04958	7.3
83.08595	8.7
84.29077	1.7
85.02878	6.7
85.06532	6.1
88.53114	1.5
91.05460	60.9
92.98989	1.6
93.07025	48.8
95.04967	13.1
95.08577	40.6
97.02864	2.0
97.06488	6.9
97.10118	2.5
99.72506	1.4
105.03365	1.5
105.07011	47.7
105.07673	3.1
107.08567	39.6
109.06499	7.9
109.10136	54.4
109.30041	1.4
113.05971	2.6
117.06998	7.4
119.08558	21.0
121.10111	13.1
123.11673	9.4
127.07561	2.3
131.08572	10.5
133.10104	100.0
133.43005	1.4
135.08052	1.6
135.11646	8.1
137.09554	2.8
143.08542	8.1
145.10110	5.9
147.11743	5.1
149.13284	7.1
151.11168	47.1
159.11679	2.9
161.09570	26.6
163.11115	1.8
169.12260	5.5
173.13229	3.4
178.25406	1.4
179.10603	18.9
182.15594	1.7
183.15848	1.5
193.12239	2.1
197.11839	2.3
215.12714	14.3
253.14281	19.8
261.22070	13.4
271.15353	3.7
279.22980	1.7
299.14868	2.9
317.12180	2.8
317.15894	84.8
318.16599	1.8
335.25732	79.7
513.35443	2.9
531.36572	3.7
577.37292	40.4
578.37347	1.8
595.38129	2.6
773.52362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55205	1.1
54.81151	1.4
55.01873	2.1
55.05503	14.7
57.03194	1.7
57.03431	17.1
61.02913	2.4
67.05495	63.8
69.07063	17.2
71.04993	5.1
74.22403	1.2
79.05054	1.9
79.05479	37.4
79.67383	1.3
81.03403	6.1
81.06596	2.7
81.07043	56.6
83.04966	7.4
83.08613	7.4
83.72471	1.1
85.02906	2.1
85.06522	5.9
91.05464	57.9
91.06008	2.7
92.63535	1.3
93.07019	35.3
95.04939	10.8
95.08595	33.7
97.02879	1.6
97.10125	1.4
99.04432	2.2
105.06356	2.7
105.07014	42.5
107.08590	36.8
109.06489	7.0
109.10146	50.4
109.10856	2.4
112.63543	1.4
113.05986	1.8
117.06999	7.9
119.08552	16.9
121.10129	9.5
123.10862	1.3
123.11686	8.4
124.12947	1.2
128.06223	2.4
131.08568	8.5
133.10115	100.0
135.08069	2.0
135.11693	10.4
137.09602	3.0
143.08543	9.3
145.10089	5.0
147.11652	2.8
149.13251	5.2
151.11156	41.8
159.11597	1.9
161.09599	25.2
161.30742	1.4
169.12149	5.5
173.13226	1.9
179.10645	13.8
187.14879	1.5
197.11629	2.7
215.12779	14.4
243.21048	4.7
253.14267	14.9
261.21942	11.4
271.15298	2.8
299.14740	1.8
317.15884	67.2
335.25748	74.6
336.25940	1.9
353.41174	1.3
402.55591	1.8
424.17722	1.5
531.36572	6.1
577.37244	32.9
595.37567	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81626	1.9
55.01861	18.8
55.05508	52.5
57.03430	32.7
61.02915	4.9
67.05493	87.8
69.03416	12.0
69.07055	46.9
71.04980	13.6
73.02875	3.1
79.05475	95.3
80.03822	2.1
81.03401	88.0
81.07038	100.0
83.04965	35.0
83.08604	41.2
85.02886	38.4
91.05464	92.5
93.07025	68.6
94.65314	1.9
95.04943	39.9
95.08585	48.2
97.02884	8.7
97.06515	22.7
97.10159	28.1
105.07014	77.4
107.04955	22.7
107.08582	52.1
109.02872	3.1
109.06510	12.8
109.10138	17.9
111.04447	4.0
111.08071	15.7
113.06020	3.5
115.05443	3.8
117.06997	20.8
119.08564	48.8
121.06458	7.9
121.10139	28.7
123.08051	9.3
125.09628	18.9
127.03905	2.4
129.06975	25.3
131.08559	34.0
133.10121	43.0
135.08051	3.9
135.11671	13.7
136.68187	2.1
137.09596	2.8
141.06995	3.0
142.07797	4.0
143.08542	3.8
145.10089	24.5
147.11661	33.7
149.09590	30.5
149.13235	8.5
151.11195	3.0
157.10120	24.9
159.11667	10.8
161.13184	4.1
163.11156	13.0
165.12756	2.2
169.10118	2.4
171.11636	8.1
173.13222	3.8
175.11153	17.9
179.14331	2.6
183.11600	1.9
189.11183	8.3
193.12219	41.0
211.13269	46.4
227.12738	25.2
257.19000	9.7
267.15833	20.8
269.17422	13.3
275.19995	36.1
285.16925	51.5
293.21042	4.0
349.23700	34.2
355.97128	2.3
404.59198	2.1
439.97052	2.5
447.27090	3.9
461.28888	12.5
465.28110	7.7
471.60138	2.4
479.29974	34.7
541.35028	21.4
559.36072	49.7
560.36566	2.6
577.36487	3.7
612.19769	2.3
749.35864	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.1
55.05512	27.7
57.03433	22.4
61.02921	2.8
61.12580	1.9
65.03954	2.1
67.05500	51.2
69.03426	3.3
69.07066	20.1
71.04977	4.9
79.05474	60.5
81.03407	52.2
81.07042	100.0
83.04961	19.8
83.08612	37.4
85.02896	32.0
91.05466	53.3
93.07027	45.6
95.04955	38.4
95.08581	33.9
97.02886	4.5
97.06525	9.1
97.10183	8.6
102.18438	2.1
105.07016	50.0
107.04932	19.4
107.08581	26.4
109.06501	21.9
109.10149	10.0
111.04420	2.0
111.08082	11.7
112.93333	2.1
117.07043	9.6
119.08566	43.9
121.06523	3.7
121.10099	20.3
123.08043	4.5
123.11707	3.8
125.09619	4.4
129.06999	14.5
131.08540	20.0
133.10132	24.0
135.07993	3.6
135.11676	12.5
137.09630	4.7
142.07733	3.3
143.08549	3.6
145.10097	12.3
147.08078	3.1
147.11679	26.8
149.09616	12.1
150.09970	2.3
151.11148	2.2
157.10085	15.1
159.11757	3.9
162.69545	2.3
163.11171	12.4
165.12755	3.8
175.11150	15.7
193.12204	30.1
211.13243	29.9
227.12866	3.1
233.86205	2.3
238.00862	2.5
267.15915	22.9
275.20016	33.6
283.15808	2.6
285.16925	46.8
291.19724	2.3
293.21164	4.5
349.23718	21.0
367.24747	21.0
503.72443	2.3
541.35419	34.4
559.36230	57.3
577.36987	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	774.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03423	1.6
61.02922	0.8
63.19380	0.4
67.55464	0.4
67.91180	0.3
69.03413	3.8
71.04977	5.6
71.87384	0.3
73.02854	0.4
76.02163	0.5
78.12157	0.4
78.90341	0.4
79.05433	0.4
81.03410	1.8
81.07045	1.0
81.56388	0.4
83.04946	0.4
85.02894	13.9
85.17030	0.4
91.05447	1.9
92.09376	0.9
93.06992	1.5
94.04161	0.5
95.04911	0.3
97.02868	2.1
99.04431	0.6
103.05441	2.0
105.06956	0.6
106.06526	8.3
109.02845	0.8
112.39251	0.4
117.05750	0.6
118.06520	3.5
119.04911	0.8
120.08094	5.0
122.03594	3.8
127.03876	2.4
129.05525	0.5
129.51648	0.4
130.06522	2.6
131.04890	11.4
132.08043	1.8
137.05957	100.0
138.06310	1.0
144.08057	0.7
147.04398	2.5
150.09120	7.5
151.07523	5.6
155.22055	0.4
161.05943	1.6
162.06708	0.4
163.07506	30.7
165.09113	0.7
175.07526	2.1
177.05409	0.7
178.05875	0.5
179.07014	0.8
193.08675	0.6
208.11153	0.7
236.10677	1.8
238.08450	0.5
253.10976	3.2
268.13275	16.6
286.14322	38.9
329.06570	0.5
360.81055	0.4
430.18549	0.9
432.19980	0.5
447.20621	0.5
448.19583	20.2
594.25427	2.5
628.25171	0.6
756.31213	0.6
774.32104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45782	1.2
54.51620	1.2
54.81277	1.4
55.01865	9.9
55.05504	59.1
56.05809	1.7
57.03424	20.3
57.21726	1.3
61.02906	3.1
64.29962	1.3
65.03932	2.8
67.05495	56.5
69.03392	5.5
69.07052	25.5
71.04977	8.1
73.02900	2.1
79.05473	66.4
81.03394	66.9
81.07035	58.1
83.04966	28.8
83.08604	50.2
85.02887	35.4
85.06528	2.7
91.05461	69.3
93.07025	57.0
95.04945	100.0
95.08580	34.7
97.02874	2.8
97.06500	10.6
97.10162	13.6
99.04419	6.2
99.08109	2.4
104.36249	1.5
105.07014	61.3
107.04940	20.3
107.08573	46.2
109.06491	14.2
109.10114	11.3
111.04401	10.1
111.08055	14.1
113.05994	2.4
117.06979	12.9
119.08556	41.7
121.06486	8.9
121.10126	29.8
123.08064	9.8
123.11730	2.8
125.09615	9.0
129.06979	18.2
131.08551	32.5
133.06448	6.1
133.10110	29.3
135.08029	8.4
135.11700	11.5
137.09636	7.7
139.11212	1.8
141.06909	1.5
142.07790	3.2
143.08563	6.4
145.10103	29.1
147.08064	7.8
147.11671	27.5
149.09590	36.2
151.11165	3.4
155.08517	3.2
157.10094	20.9
159.11688	10.3
161.09492	1.9
161.13219	3.4
163.11160	32.1
165.12706	5.8
169.10054	2.6
173.13235	3.5
175.11174	18.7
177.12735	6.0
187.11179	1.8
189.11232	3.1
191.14186	2.1
193.12213	39.5
197.13263	2.1
205.12204	3.3
211.13248	44.3
223.13260	32.3
239.17926	3.0
247.20387	2.0
257.18933	8.8
267.15820	32.6
275.20020	46.1
285.16891	59.7
285.20035	2.2
293.21161	22.7
349.23660	23.0
367.24704	42.8
387.16882	1.5
541.35120	15.0
559.36163	54.9
577.37207	81.6
786.26587	1.6
793.57690	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00835	2.7
55.01869	18.0
55.05514	58.4
57.03432	22.5
63.80756	2.6
65.03925	3.1
67.05489	70.3
69.03427	20.7
69.07053	43.8
71.04971	5.0
79.05477	75.2
81.03392	47.5
81.07037	63.0
81.62468	2.9
83.04949	26.5
83.08608	39.9
85.02885	27.4
91.05464	68.1
93.07028	52.5
95.04942	36.6
95.08580	26.3
97.02856	21.0
97.06503	13.4
97.10144	21.5
104.08567	3.0
105.07010	43.6
107.04932	20.2
107.08570	41.7
109.06510	4.2
109.10142	13.7
111.08058	5.5
114.64855	2.7
117.07012	19.1
119.08543	39.7
119.09115	2.4
121.06525	5.5
121.10122	23.9
123.08063	5.6
125.09653	15.7
129.06985	16.4
130.07849	3.1
131.08548	30.8
133.06493	7.0
133.10127	18.7
135.08049	13.8
135.11638	11.4
143.08582	3.8
145.10123	21.5
147.08006	6.1
147.11674	12.4
149.09610	12.2
149.96362	3.3
157.10139	7.3
159.07965	3.2
159.11739	3.6
163.11180	14.5
171.13229	2.8
175.11194	11.7
189.11176	3.8
193.12236	23.5
211.13295	22.8
223.13269	19.6
227.12698	13.2
245.19040	3.2
267.15927	18.5
273.18417	6.6
275.19925	5.1
283.15250	22.8
285.16910	26.5
291.19485	100.0
343.06723	3.5
349.23627	6.8
365.23160	47.9
477.28317	17.1
539.33820	3.9
557.34802	47.6
575.35681	76.6
695.61798	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	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.1
55.05499	31.8
57.03425	9.6
61.14951	4.1
67.05499	77.3
69.03404	6.6
69.07047	28.6
71.04968	7.0
78.92129	4.9
79.05474	57.1
81.03396	56.3
81.07041	100.0
83.04958	19.5
83.08582	10.8
85.02885	12.2
91.05471	94.3
93.07022	52.4
95.04934	30.4
95.08572	27.9
97.02876	5.5
97.06513	8.8
105.07016	72.2
107.04945	10.0
107.08578	36.4
109.06509	8.8
109.10164	47.1
111.08060	6.3
117.06982	9.1
119.08547	37.5
121.06514	9.1
121.10139	12.1
129.06978	11.0
131.08549	24.0
133.10115	62.9
134.11684	6.0
135.08067	6.0
145.10120	8.6
147.08028	7.2
149.09558	9.5
151.11137	12.1
157.10098	6.5
161.09563	7.6
175.11134	6.5
185.34807	5.3
193.12244	12.8
194.73589	5.5
211.13269	28.1
253.14330	46.8
267.15799	10.1
273.18497	10.3
285.16904	36.0
291.19458	20.2
330.46109	5.6
365.23044	12.8
463.26944	11.5
481.27972	7.3
485.54593	5.8
492.71616	5.5
527.95203	5.6
557.34259	25.7
575.35443	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83823	0.5
55.05508	0.8
65.23100	0.6
69.03410	0.9
79.05492	1.2
81.03427	1.1
85.02901	1.4
91.05464	8.6
93.07016	1.1
93.23291	0.7
94.04170	1.0
95.04974	1.3
99.04446	1.3
103.05455	6.8
105.07005	3.3
107.04950	1.3
107.74696	0.9
115.05423	1.2
117.07026	1.4
119.04914	6.1
121.06475	3.4
122.03636	7.0
127.03926	0.8
128.06180	0.8
129.07031	1.3
131.04922	9.9
133.02859	3.1
133.06483	3.3
135.04359	0.8
135.08044	1.8
137.05963	100.0
138.06439	0.7
145.02867	1.0
145.06485	1.6
146.03677	0.8
147.04391	7.3
149.05980	5.1
151.03900	2.8
151.07526	15.4
153.01871	0.8
153.05568	1.4
157.06500	0.9
159.08084	3.1
160.05186	1.3
161.05962	10.5
161.09584	0.6
163.07530	11.2
167.07019	1.1
167.08527	0.9
169.06456	1.1
171.08163	0.9
174.06847	0.9
175.07501	13.0
177.05484	2.9
177.09067	15.0
179.06985	1.1
179.08447	1.0
181.06439	0.9
181.08635	0.9
187.07481	4.9
189.09138	4.1
193.06470	1.0
195.08131	1.2
201.09117	1.5
203.07011	1.0
205.06470	1.4
207.08008	1.4
210.06602	0.8
211.07593	0.8
219.08139	1.0
219.10124	1.1
221.05972	0.9
222.06752	1.4
225.09149	3.1
227.10643	1.4
233.09607	0.9
234.06711	1.7
235.07448	1.5
237.09035	6.1
239.06937	0.8
241.08443	0.8
245.09488	0.8
247.07533	0.9
249.05667	0.7
249.09073	4.0
250.06398	0.8
253.08568	1.5
261.09097	1.4
265.08539	13.6
267.10056	1.6
277.08591	7.9
278.09387	0.8
279.10257	0.9
282.09116	0.9
283.09662	2.8
285.11124	3.4
287.12842	1.3
289.33054	0.8
290.09076	1.0
295.09674	1.2
297.11154	11.9
299.12723	2.7
309.11230	8.1
310.11911	3.2
311.12857	1.6
325.14655	0.9
327.12292	5.4
351.16037	2.6
475.21124	1.4
493.21906	3.2
503.20840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.8
57.03423	30.9
57.07069	76.4
61.02915	10.3
67.05495	100.0
69.07061	22.8
71.08613	57.4
79.05473	50.3
81.07039	93.6
83.08595	19.7
85.02898	7.0
85.10168	22.6
91.05454	26.1
92.08730	10.7
93.07021	62.0
95.08589	91.8
95.95884	5.5
97.10152	8.4
105.07011	12.1
107.08576	33.6
109.10127	29.1
119.08575	8.3
121.10117	29.0
131.08536	5.9
133.10071	9.0
135.11673	10.7
155.68555	5.2
184.07318	6.7
187.54692	5.3
222.45726	4.2
261.22061	29.4
313.27301	97.0
335.25723	81.7
573.48645	50.8
770.32471	6.3
771.49384	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	771.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05502	7.3
57.03423	5.0
57.07070	10.2
61.02912	10.4
64.32935	0.9
65.03901	0.9
67.05492	20.5
69.03414	5.3
69.07053	4.7
69.99123	0.7
71.08611	6.3
71.68460	0.7
73.02898	5.7
79.05473	10.9
81.03418	1.9
81.07038	19.7
82.07368	1.0
83.08620	1.5
84.47132	0.8
85.02892	9.1
85.10172	3.7
91.03925	6.2
91.05454	5.9
93.07021	11.8
95.04964	1.1
95.08585	14.3
97.02871	7.4
97.46438	0.7
99.04430	1.4
101.02364	3.3
101.66560	0.8
105.07027	4.4
107.08591	5.7
109.10146	4.3
117.07025	1.6
119.08524	1.3
121.10132	3.8
123.11723	1.1
127.03934	1.2
131.08527	1.4
133.10129	4.0
135.11703	3.3
145.10167	1.9
149.13217	1.5
159.11682	1.6
243.08342	1.8
261.22168	1.6
313.27277	10.3
314.27774	1.8
335.25778	5.4
336.26242	1.7
359.05301	0.9
491.26276	1.9
493.27762	3.5
519.29169	3.1
539.02612	1.0
573.48486	1.5
771.50031	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	769.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81609	0.6
55.05494	0.8
57.03421	1.3
61.02911	7.5
61.63781	0.6
67.05177	0.5
67.05485	5.1
69.03410	3.6
69.07058	0.7
73.02900	4.3
79.05471	4.6
79.99071	0.6
81.03387	1.1
81.07042	6.4
85.02875	5.7
87.04474	0.7
90.53993	0.6
91.03936	2.5
91.05469	1.2
93.07011	5.0
95.08598	4.3
97.02884	5.8
99.04480	0.9
101.02374	2.4
105.07029	2.7
107.08568	1.2
109.02924	0.7
109.10147	1.1
119.08602	0.8
121.10124	2.8
130.56310	0.7
243.08310	1.1
262.35416	0.6
281.31567	0.7
338.32220	0.7
348.25708	0.7
491.26041	9.3
510.54910	0.7
519.29303	3.0
594.44757	0.8
693.41919	0.7
769.48444	100.0
770.48853	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	770.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99467	1.2
66.14314	1.4
70.67133	1.5
79.05462	6.3
80.06524	1.3
85.02861	2.4
91.05469	27.7
93.07020	2.9
94.04145	2.2
95.04932	8.1
95.08562	1.9
97.02889	1.8
103.05471	15.4
105.07014	10.0
107.04937	16.2
109.02839	2.2
111.04373	2.2
115.05432	3.3
117.07006	3.6
119.04913	17.0
120.05685	1.7
121.02785	1.8
121.06461	13.1
122.03607	6.4
123.04340	1.7
125.05947	2.2
127.03870	5.7
128.06194	1.8
129.06972	9.1
130.08173	1.4
131.04913	16.2
131.08533	3.6
133.02817	13.4
133.06445	3.6
135.04395	3.5
135.08018	3.9
137.05952	100.0
137.09544	1.6
141.06981	2.3
143.04974	1.8
145.06491	3.1
147.04373	15.6
147.08073	3.0
147.93529	1.7
148.05139	1.9
149.05922	17.7
151.03886	3.4
151.07509	26.3
153.01860	1.9
153.05574	1.4
157.06435	3.1
159.08017	7.0
159.66495	1.7
160.05197	2.2
161.05942	69.8
161.09557	16.1
162.06660	2.7
163.07498	18.0
165.05484	1.7
165.06967	3.3
167.07161	1.8
167.08522	2.7
169.06459	1.9
172.05142	1.8
174.06734	6.9
175.07497	28.1
177.08995	2.8
178.07738	1.7
179.07050	2.2
179.08490	2.2
181.06462	2.4
182.07074	1.8
185.05876	2.4
187.07494	7.9
189.09059	26.1
191.06984	5.5
191.08533	3.1
191.10664	1.4
193.08385	1.6
194.07225	3.3
195.07965	13.6
198.06767	2.1
199.07550	2.7
201.09116	2.1
203.08527	2.3
205.06413	2.8
207.08115	3.6
207.10123	14.5
208.08810	2.1
210.06819	2.8
211.07512	3.2
213.09090	3.0
217.08481	3.1
219.07974	9.3
219.10106	14.9
221.05899	6.7
221.09558	2.7
222.06705	3.2
223.07468	8.9
224.08203	1.9
225.09064	10.0
227.07002	2.4
227.10516	2.5
234.06862	2.3
235.07446	7.0
236.08252	2.4
237.09026	9.8
238.06215	1.9
239.07008	1.6
240.07861	1.7
241.08423	2.2
243.09985	1.9
247.07516	3.8
248.08212	2.3
249.09093	6.4
251.06984	8.6
251.10448	3.1
252.07829	2.1
253.08629	13.5
253.12178	1.8
255.06369	2.1
255.10078	3.5
261.08887	5.9
263.07077	2.4
264.07941	2.0
265.08508	15.0
267.10068	3.4
268.07291	3.0
269.07999	3.1
269.11789	2.0
270.08871	2.5
273.11255	3.5
277.08502	7.2
279.10098	13.0
281.07922	2.3
281.11731	1.8
283.09705	10.1
283.13159	3.3
284.10052	1.6
285.11200	6.4
287.12891	1.9
291.10010	3.4
295.09561	6.1
296.10410	3.0
297.11243	17.4
304.52490	1.7
305.11530	1.9
307.09570	3.1
309.11139	12.1
310.12000	2.8
311.12720	10.1
313.14426	2.4
315.12344	2.1
321.11072	5.5
323.12741	6.1
327.12143	9.5
329.13785	27.1
337.10471	1.9
337.14197	3.7
339.12222	2.7
341.13641	9.7
355.15302	13.8
367.15305	15.6
379.15164	3.1
397.16370	16.2
403.17676	1.7
406.17676	2.5
475.17087	2.0
477.19324	2.4
489.19043	6.2
507.19800	6.5
550.98511	1.6
554.40881	1.7
577.80560	1.8
657.26318	3.1
771.31891	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49429	0.8
69.03388	0.8
70.06564	2.0
79.55556	0.9
81.03434	1.4
85.02888	2.0
90.78565	0.9
91.05482	1.0
97.02859	1.4
99.04452	1.9
124.07568	5.6
136.07581	1.9
137.05977	5.0
138.09103	1.1
140.01695	0.8
145.02837	0.9
161.05963	1.6
163.07466	1.1
173.25192	0.8
175.07616	0.9
178.08543	1.0
213.13805	1.1
225.10211	5.1
226.11026	4.0
231.51558	1.0
241.13313	9.5
245.09267	1.1
259.14438	7.4
284.11490	4.0
285.12286	98.0
310.11874	1.5
319.16516	1.0
334.19165	1.8
336.13312	2.0
346.15295	3.6
347.16257	3.8
348.17004	1.4
362.11218	2.2
362.18423	8.2
363.16620	1.3
372.86765	1.1
376.12906	3.5
377.13617	1.4
378.17969	18.9
380.19632	15.9
382.21167	4.8
390.18219	2.1
391.15015	6.7
406.17523	89.2
407.17914	3.6
408.19086	34.2
422.20526	4.6
426.20169	5.1
436.18570	1.2
451.16901	1.4
452.18085	100.0
453.18066	1.7
467.44775	1.0
482.19128	17.6
673.28357	1.2
685.28540	3.7
703.29730	10.2
715.29486	10.1
721.30664	2.1
733.30444	26.3
751.31671	28.2
769.32751	30.2
770.33447	1.2
790.88953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43690	0.4
75.99191	0.3
81.03333	0.6
85.02847	0.8
91.05389	0.5
92.08669	0.6
97.02818	0.4
105.06970	0.4
108.08087	0.4
109.02847	0.5
110.05961	0.7
111.04396	1.5
119.04870	0.5
120.08035	0.4
124.07543	3.3
127.03859	0.6
136.03862	0.6
136.07481	1.6
137.05896	2.0
147.04410	0.5
148.07518	0.4
162.09064	0.5
175.07430	0.3
177.05435	0.4
178.08517	0.4
189.05394	0.4
191.26018	0.4
200.13068	0.4
213.13809	0.6
225.10205	6.1
226.10912	3.2
227.11707	0.4
241.13353	7.6
242.11609	0.4
245.09193	0.6
258.13498	0.8
259.14426	6.7
269.09119	1.9
270.09821	1.5
271.10635	0.6
284.11597	4.4
285.12268	100.0
286.12622	1.4
300.22208	0.4
310.11707	2.2
318.12228	0.5
319.16669	2.6
320.17508	1.6
322.11813	1.9
332.13989	0.6
333.14706	0.7
334.15289	0.7
334.19061	2.5
336.13290	1.7
336.20599	0.6
346.15546	3.2
347.16266	3.1
348.13223	0.8
348.17004	1.8
349.14487	0.5
350.14911	0.6
352.20178	0.7
360.17297	0.6
362.11230	3.1
362.15536	0.5
362.18646	6.3
363.16644	1.6
364.16415	1.7
364.20319	1.3
365.17575	0.8
376.12778	2.9
376.20184	0.6
377.13638	2.2
378.18024	16.5
379.18768	0.5
380.19632	11.0
382.21219	2.8
388.16669	0.7
390.14401	2.3
390.18506	1.4
391.15179	6.2
392.15671	1.8
402.17923	0.7
404.15793	0.8
406.17523	82.4
407.18051	3.8
408.19104	34.2
409.19418	0.6
420.19141	0.7
422.20755	3.6
426.20123	5.9
436.18484	1.9
451.17227	1.6
452.18069	94.5
453.18466	2.0
456.21039	0.9
459.40594	0.5
482.19150	17.3
621.40936	0.5
649.28290	0.7
673.28479	2.2
685.28735	2.0
703.29535	5.7
715.29565	10.9
721.30627	1.8
733.30579	15.7
751.31653	30.5
752.31805	0.6
769.32776	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	765.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.7
56.73987	1.4
57.03413	1.9
58.23407	1.4
61.02916	8.9
63.02921	1.5
67.05496	8.4
69.03411	7.2
69.07039	3.0
73.02908	2.8
76.56184	1.9
79.05490	6.5
81.03398	3.9
81.07025	3.7
85.02920	6.7
91.03951	2.5
91.05458	2.7
93.07052	3.2
95.08604	2.2
97.02895	8.8
101.02396	1.8
105.07068	1.5
115.90905	1.8
121.10136	2.4
122.18418	1.8
124.86731	1.5
130.21838	1.7
137.00539	1.6
176.08951	1.6
193.46843	1.7
196.48640	1.9
243.08499	2.8
304.90924	1.5
335.26123	2.0
443.18967	5.8
447.30270	1.7
456.32996	2.0
469.20627	2.1
487.21591	8.0
519.29352	9.5
765.43878	100.0
765.58337	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	766.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41570	0.9
55.01851	1.0
55.05505	37.6
57.03429	22.2
57.07076	8.0
60.96257	0.8
61.02904	6.6
65.03913	1.5
67.05492	99.4
69.03436	0.9
69.07056	32.2
71.04971	1.0
71.08614	1.7
73.02903	2.0
79.05001	1.2
79.05476	56.5
81.07039	100.0
83.04973	4.2
83.08602	16.9
85.02892	6.6
85.06541	4.4
91.03942	1.4
91.04900	1.1
91.05466	33.6
92.08694	1.2
93.07025	60.2
95.04955	4.7
95.08584	69.5
97.02859	1.8
97.06522	4.1
97.10144	4.8
99.08070	3.9
105.07010	24.0
107.08582	30.4
109.06487	1.4
109.10140	28.9
111.08080	2.2
117.07009	6.2
119.08554	22.4
121.10123	25.3
123.08024	1.9
123.11674	10.5
125.09585	2.0
129.06987	1.1
131.08562	10.2
133.10097	19.0
135.10751	1.9
135.11674	19.1
137.13264	1.3
143.08543	1.3
145.10092	9.7
147.11682	16.3
149.09525	0.9
149.13254	8.9
151.11172	1.2
151.14691	1.0
159.11679	4.6
161.13223	8.4
163.14792	1.7
171.11774	1.3
173.13222	3.8
175.14841	1.9
187.14842	3.8
215.17944	5.8
217.19504	3.9
233.18993	5.1
235.20554	2.4
241.19691	1.3
243.21205	1.8
261.22104	11.1
307.22638	8.1
309.24179	51.3
311.25861	1.6
335.25735	51.7
337.27271	12.3
399.10782	1.0
453.60583	1.0
495.41946	3.8
548.62164	1.1
569.45624	24.8
580.80640	1.1
587.46600	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	769.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05408	0.6
94.06522	0.4
98.39812	0.4
110.05902	0.4
111.04353	1.7
124.07576	3.9
131.04922	0.4
136.03903	0.6
136.07477	2.6
140.87886	0.3
150.09109	0.4
160.07526	0.8
163.07542	0.5
164.07005	0.5
178.08575	0.6
199.12296	0.7
213.13737	0.6
225.10229	5.3
226.10962	3.9
241.13284	7.1
242.11670	0.5
259.14362	7.1
269.09174	0.8
284.11526	5.0
285.12274	84.8
286.12552	1.5
310.11880	1.8
318.16016	0.5
319.16751	2.0
320.17477	0.9
322.11884	2.5
323.12811	0.5
332.13965	0.6
333.14529	0.5
334.15515	0.7
334.18948	3.3
336.13409	2.1
346.15433	3.0
347.16367	2.8
348.13229	0.8
348.17062	1.9
352.20065	0.7
361.17926	0.5
362.11084	2.9
362.15134	0.5
362.18564	7.8
363.16864	0.9
364.16498	1.6
365.17239	0.6
376.12637	4.0
376.20370	0.9
377.13647	2.7
378.18008	14.9
380.19553	14.9
382.21027	3.5
390.13849	3.1
390.18277	2.2
391.15335	6.5
392.15765	0.7
404.16046	0.8
406.17538	88.2
407.18088	3.0
408.19138	32.0
422.21021	3.2
426.20236	5.9
430.86853	0.5
436.18997	0.9
451.17270	2.2
452.18066	100.0
453.18658	2.9
482.19052	14.4
485.08578	0.4
497.98273	0.4
649.28754	1.0
673.29498	1.8
685.28229	0.8
703.29236	7.8
715.29608	7.6
721.30804	2.1
733.30634	24.1
734.30731	0.7
739.31976	0.7
751.31714	31.1
752.32214	1.8
769.32788	32.5
770.33337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.9
55.05507	28.2
57.03423	8.4
57.07064	4.4
67.05496	100.0
69.03423	13.4
69.07059	23.5
71.04967	4.4
78.74744	1.7
79.05476	87.3
81.03400	12.1
81.07040	99.7
83.01334	1.9
83.04971	3.5
83.08599	12.7
85.02879	10.3
85.06493	1.9
91.05464	59.9
92.08634	4.9
93.07023	97.5
95.04950	11.1
95.08589	61.7
97.02844	4.4
97.06530	3.5
97.10140	2.8
99.04403	2.3
105.07008	42.1
107.04897	2.2
107.08579	43.6
109.06454	6.8
109.10149	25.5
111.08028	2.1
113.09631	3.4
117.07011	25.1
119.08552	32.0
121.10118	39.9
123.11684	11.8
129.06969	9.3
131.08548	41.7
133.10103	23.3
135.11681	38.8
137.13211	2.0
143.08522	8.4
145.10118	23.8
147.08025	1.9
147.11702	14.5
149.09616	3.1
149.13232	16.8
155.08438	2.6
159.11650	21.6
161.13216	7.6
163.14810	2.9
169.10217	2.8
171.11664	4.2
173.09566	2.1
173.13242	9.1
185.13181	2.1
187.14774	3.7
195.05109	2.0
205.19533	2.3
215.17874	23.6
233.18979	23.7
259.20523	2.6
261.22125	13.8
307.22678	11.8
325.23676	10.4
330.09268	1.8
357.89032	1.7
369.24362	3.7
380.79028	2.1
387.25137	2.8
405.26056	3.6
423.27322	2.4
444.97833	1.9
563.00366	2.3
575.50098	8.6
585.64008	2.2
694.37329	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	763.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.05507	4.0
57.03424	2.7
61.02919	6.0
64.32599	0.6
67.05499	8.9
69.03420	4.3
69.07063	3.2
71.04980	3.8
73.02908	4.4
75.49310	0.5
79.05488	5.1
81.03399	3.1
81.07044	10.6
83.08617	2.9
85.02886	5.2
90.75035	0.5
91.03939	2.8
91.05468	3.4
93.07021	5.2
95.04967	0.8
95.08612	4.6
97.02922	3.8
97.10162	0.8
99.04434	0.6
101.02363	1.2
105.07057	2.0
107.08586	3.9
109.02859	0.9
109.10175	2.2
117.07043	0.7
117.22811	0.5
119.08594	0.9
121.10188	0.7
123.11716	0.7
127.03927	0.7
131.08589	1.0
133.10124	3.5
135.11696	0.7
147.11739	0.7
211.13399	0.5
243.08467	2.3
243.15765	0.7
267.15710	0.8
335.26056	0.7
485.23474	8.8
519.29193	4.9
542.88190	0.7
565.42023	0.6
573.48938	2.4
574.49121	4.2
763.45886	100.0
764.46515	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	764.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05265	2.0
55.05506	28.0
57.03428	23.5
57.07052	5.1
58.77150	1.1
61.02905	8.7
63.91657	1.1
65.99229	1.2
67.05493	100.0
69.07059	24.6
71.04961	1.9
71.40689	1.2
79.05478	81.5
81.07043	95.4
83.04939	1.4
83.08620	10.2
85.02888	5.5
85.06516	3.1
91.05463	52.0
92.08636	3.6
92.63516	1.6
93.07028	91.2
95.04937	9.9
95.08013	2.8
95.08592	64.7
97.06528	2.7
97.10170	1.7
99.08045	2.4
103.78542	1.3
105.04520	1.5
105.07021	34.8
107.08587	37.7
109.06499	2.8
109.10143	29.9
111.08038	1.4
113.09598	1.7
117.06985	13.2
119.08578	24.5
121.10129	37.4
123.08028	2.3
123.11707	9.4
129.06972	2.7
130.00293	1.3
131.08540	20.8
133.10097	24.6
135.11682	27.6
137.13245	2.4
143.08607	2.3
145.10103	18.0
147.11655	17.0
149.13239	11.6
151.11201	1.5
157.10089	4.6
159.11662	10.4
161.13234	10.9
163.14771	1.9
171.11662	5.1
173.13225	11.7
175.14909	2.0
185.13293	1.9
187.14780	2.6
189.16418	2.6
195.58072	1.4
205.15887	1.5
213.16359	2.0
215.17970	12.0
231.17444	4.9
233.18993	11.3
241.19389	1.8
243.20992	5.7
259.20651	2.8
261.22079	5.2
307.19095	2.2
307.22629	59.3
309.24213	3.2
317.24783	2.2
333.23947	2.9
335.25787	57.0
337.27094	5.6
369.70432	1.6
500.33176	1.4
567.44110	19.8
585.45068	12.7
726.76709	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.0
57.03424	4.0
57.07079	0.8
61.02915	9.0
61.94252	0.7
67.05492	9.7
69.03426	4.9
69.07059	1.4
71.01376	1.0
73.02911	5.4
79.05474	7.0
81.03403	5.4
81.07043	7.2
83.08615	3.5
85.02901	7.1
86.09705	1.4
91.03962	3.5
91.05477	4.7
93.07009	8.8
95.04968	1.4
95.08603	5.5
96.64748	0.9
97.02889	6.3
101.02369	1.5
105.03391	2.1
105.07038	3.5
107.08613	3.9
109.10178	1.8
111.04421	1.0
111.08147	0.9
119.08613	1.6
121.10119	1.9
125.00014	1.6
127.03938	1.6
127.32973	0.9
133.10138	1.8
135.11703	1.4
145.10136	1.9
149.05963	1.4
183.62018	0.9
184.07289	6.5
194.93887	0.9
221.84711	1.0
243.08315	1.1
256.26395	1.1
267.11996	1.8
293.61444	1.0
296.09280	1.0
467.19016	1.4
485.19705	3.6
519.29083	7.9
536.51080	1.2
570.03534	0.9
574.48584	1.0
745.40985	5.2
748.94489	1.0
762.39984	1.4
763.42120	100.0
764.42639	1.3
770.59784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05507	3.2
57.03429	4.6
59.41367	0.6
61.02914	9.3
67.05499	10.7
69.03418	5.5
69.07062	3.3
70.34747	0.6
71.04967	1.2
73.02908	4.7
73.37765	0.7
79.05476	7.4
81.03399	7.8
81.07040	10.0
82.07364	0.9
83.08593	1.7
85.02890	7.3
87.09558	0.7
91.03940	5.1
91.05475	5.0
93.07018	6.5
95.04972	4.4
95.08601	8.0
97.02863	8.1
97.10233	0.7
99.04449	1.1
101.02374	1.8
105.03375	1.8
105.07031	3.7
107.04996	0.8
107.08609	3.3
109.02898	0.7
109.10157	2.8
119.08591	1.8
121.10146	1.1
127.03885	1.1
133.10158	1.3
135.11679	2.7
145.10185	1.4
157.10173	1.1
163.11212	1.4
184.07423	0.8
225.93365	0.7
234.57404	0.8
241.99483	0.8
243.08516	1.2
267.15918	1.8
333.24774	0.7
337.27457	1.4
411.19980	3.0
413.18060	1.6
444.32831	1.0
467.18851	1.4
485.19955	1.8
519.29382	7.1
530.39288	1.2
699.20581	0.9
745.41351	1.4
763.42157	100.0
764.42273	4.3
764.56042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14511	1.3
55.05509	10.1
57.03437	1.9
57.07069	1.8
67.05500	13.5
69.07077	3.2
78.11553	1.5
79.05472	12.5
81.07045	11.6
83.08595	3.6
91.05479	9.7
92.08653	2.9
93.07039	8.9
95.04943	2.1
95.08590	11.7
105.07002	3.3
107.08597	3.8
109.10159	2.7
116.98088	1.7
119.08646	1.7
121.10146	3.0
123.48789	1.6
133.10144	2.7
135.11748	2.5
147.11720	2.4
211.81427	1.8
241.24400	1.5
337.27487	2.0
410.54608	1.8
545.38263	2.5
587.40289	2.3
761.38605	100.0
762.38593	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	761.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14511	1.3
55.05509	10.1
57.03437	1.9
57.07069	1.8
67.05500	13.5
69.07077	3.2
78.11553	1.5
79.05472	12.5
81.07045	11.6
83.08595	3.6
91.05479	9.7
92.08653	2.9
93.07039	8.9
95.04943	2.1
95.08590	11.7
105.07002	3.3
107.08597	3.8
109.10159	2.7
116.98088	1.7
119.08646	1.7
121.10146	3.0
123.48789	1.6
133.10144	2.7
135.11748	2.5
147.11720	2.4
211.81427	1.8
241.24400	1.5
337.27487	2.0
410.54608	1.8
545.38263	2.5
587.40289	2.3
761.38605	100.0
762.38593	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	763.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05507	3.2
57.03429	4.6
59.41367	0.6
61.02914	9.3
67.05499	10.7
69.03418	5.5
69.07062	3.3
70.34747	0.6
71.04967	1.2
73.02908	4.7
73.37765	0.7
79.05476	7.4
81.03399	7.8
81.07040	10.0
82.07364	0.9
83.08593	1.7
85.02890	7.3
87.09558	0.7
91.03940	5.1
91.05475	5.0
93.07018	6.5
95.04972	4.4
95.08601	8.0
97.02863	8.1
97.10233	0.7
99.04449	1.1
101.02374	1.8
105.03375	1.8
105.07031	3.7
107.04996	0.8
107.08609	3.3
109.02898	0.7
109.10157	2.8
119.08591	1.8
121.10146	1.1
127.03885	1.1
133.10158	1.3
135.11679	2.7
145.10185	1.4
157.10173	1.1
163.11212	1.4
184.07423	0.8
225.93365	0.7
234.57404	0.8
241.99483	0.8
243.08516	1.2
267.15918	1.8
333.24774	0.7
337.27457	1.4
411.19980	3.0
413.18060	1.6
444.32831	1.0
467.18851	1.4
485.19955	1.8
519.29382	7.1
530.39288	1.2
699.20581	0.9
745.41351	1.4
763.42157	100.0
764.42273	4.3
764.56042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.0
53.03931	3.7
53.39714	0.4
55.01855	1.3
55.05505	17.5
55.05765	1.1
57.03428	8.9
57.07067	2.7
59.52806	0.4
61.02908	5.6
61.31851	0.5
65.03926	2.4
67.05489	66.8
67.89876	0.6
69.03413	2.2
69.07053	13.4
69.07409	0.9
71.04973	21.9
71.08636	0.5
73.02888	0.7
73.81153	0.5
77.30101	0.5
79.05473	40.4
81.03416	2.0
81.07035	100.0
83.04967	4.1
83.08603	7.4
85.02906	2.5
85.06529	6.7
86.45831	0.5
87.04446	0.6
91.03945	0.6
91.05455	28.6
92.08668	2.0
93.07021	44.6
94.56071	0.5
95.04929	3.7
95.08581	29.9
97.02872	2.3
97.06508	5.0
97.10155	1.0
99.08051	0.7
105.06285	0.6
105.07012	18.6
105.22759	0.6
107.08572	23.8
109.06526	2.7
109.10133	14.5
111.08060	3.2
117.07001	6.1
119.08540	9.2
121.10122	15.8
123.08079	0.8
123.11677	13.3
129.06975	0.7
131.08539	10.3
133.10097	20.9
135.08038	0.8
135.11659	10.7
145.10126	5.5
147.11670	4.8
149.13237	5.0
151.11150	6.5
159.11649	5.7
161.13191	2.8
173.13235	1.3
175.14821	0.8
177.12779	2.2
183.13762	2.9
184.07245	1.1
187.13290	3.2
195.05551	0.5
195.13681	0.9
201.14847	0.9
205.27034	0.5
257.17413	1.3
261.22104	2.3
269.17343	4.6
301.20041	13.4
335.25717	16.8
411.32480	0.8
485.36041	3.1
503.37241	67.1
504.37384	0.8
511.37900	0.9
517.38794	2.7
529.38892	13.0
561.41370	70.6
562.41968	1.2
595.00201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.3
53.03928	3.6
54.81293	1.4
55.01860	9.5
55.05508	36.4
57.03431	26.1
57.07066	3.3
61.02909	8.6
65.03915	2.4
67.05494	100.0
69.03403	2.9
69.07052	27.9
71.01324	1.7
71.04981	6.9
73.02922	2.6
73.19183	1.6
79.05480	82.7
81.03391	13.3
81.07042	91.6
83.04972	16.9
83.08613	15.8
84.38546	1.8
85.02895	11.0
85.06517	2.9
86.09715	1.9
87.03136	1.7
91.03909	2.8
91.05457	59.4
92.09254	3.9
93.07022	83.6
93.58739	1.8
95.04948	17.3
95.08591	63.2
97.02878	14.4
97.06525	9.3
97.10157	8.5
105.07008	41.5
107.04945	13.3
107.08586	48.3
107.67268	1.8
108.38184	1.6
109.06512	9.5
109.10140	29.5
111.04421	22.8
111.08078	3.5
115.05425	2.5
117.06985	21.0
119.08545	31.2
121.06480	3.5
121.10134	38.4
123.04385	2.0
123.08068	3.8
123.11684	8.0
125.09589	2.3
127.03833	2.1
129.06993	9.9
130.07809	3.1
131.08562	25.8
131.20706	1.8
133.10095	23.4
135.08093	2.9
135.11664	26.8
143.08530	6.4
145.06471	2.5
145.10103	32.0
147.08101	3.3
147.11703	10.2
149.09593	7.5
149.13284	7.9
151.11145	2.7
153.12762	3.2
155.08533	7.3
157.10094	3.3
159.11687	7.1
161.13223	2.5
163.11157	21.8
163.14824	2.5
169.10136	2.6
171.11719	7.5
173.09616	8.4
173.13196	7.5
181.12236	10.9
184.07274	2.1
191.10651	13.3
209.11682	24.6
213.04726	2.2
227.12708	13.8
243.21130	2.5
261.22089	9.0
283.15359	51.5
301.16440	23.3
333.24304	1.8
335.25766	64.6
433.31158	2.2
451.32050	4.2
469.32703	3.8
507.34402	2.4
525.35553	9.2
543.36682	62.5
561.37775	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.3
53.03934	4.0
53.15996	0.9
53.70375	0.8
54.81586	0.9
55.01627	1.2
55.01859	8.0
55.05506	36.2
57.03182	1.1
57.03431	21.5
57.07067	4.6
59.04982	1.1
61.02914	10.2
63.43252	1.2
65.03920	4.2
66.83102	1.0
67.05493	100.0
69.03403	4.5
69.07056	28.2
69.07415	2.1
71.04971	8.6
73.02903	1.3
76.03037	0.9
79.05473	67.3
81.03432	7.8
81.07038	74.4
83.04974	16.6
83.08613	15.8
84.08120	1.1
85.02888	7.9
85.06527	4.9
86.09682	1.1
91.03941	2.4
91.05463	60.1
91.57217	1.2
93.07022	82.0
95.04952	19.0
95.08589	49.5
96.67281	1.0
97.02884	12.8
97.06525	13.5
97.10140	6.9
99.04416	4.2
99.08083	1.5
101.37615	1.1
103.05421	1.0
105.04482	1.5
105.07016	48.7
106.07371	1.2
107.04948	10.8
107.07867	2.0
107.08575	42.3
109.06525	7.7
109.10148	36.3
111.04430	13.5
111.08073	6.0
113.05986	2.7
113.09657	1.0
115.05415	2.3
117.07017	26.3
119.08569	39.0
121.06470	5.4
121.10122	27.3
123.04420	1.5
123.08017	6.7
123.11691	6.1
125.05961	1.7
125.09589	2.2
127.03904	1.5
128.06252	2.1
129.06996	15.0
130.07765	1.4
131.08539	35.3
133.06493	2.2
133.10107	33.5
135.08072	9.3
135.11670	29.2
137.09592	2.6
139.11140	1.3
141.06915	2.1
142.07710	1.3
143.08551	11.8
145.06442	5.1
145.10118	39.5
147.08044	7.6
147.11652	14.4
149.09601	6.5
149.13261	6.6
151.11171	2.4
153.06947	1.7
155.08527	7.3
157.10127	10.3
159.08049	2.4
159.11699	14.1
161.09563	6.1
161.13211	7.0
163.11157	14.1
163.14767	1.8
167.08522	2.2
169.10112	5.4
171.11678	8.5
173.09554	8.5
173.11797	1.7
173.13232	7.8
175.11137	4.8
178.89185	1.1
181.10135	4.4
181.12132	2.3
183.11670	5.8
184.07291	1.7
185.09589	1.3
185.13187	6.1
187.11124	2.6
187.14742	2.6
191.10638	8.9
195.11671	2.3
197.13197	4.6
199.11447	1.3
199.14877	2.1
201.12749	2.3
209.11662	16.4
209.13387	2.2
223.14857	1.4
225.16425	1.8
227.12732	4.0
227.16289	3.6
229.14345	2.4
230.32976	1.4
253.14223	1.7
255.15797	7.7
256.87125	1.1
259.20490	2.0
261.22067	5.8
271.20447	1.6
273.22064	6.1
274.51447	1.2
283.12244	1.6
283.15356	48.4
284.15344	1.3
299.20032	2.3
301.16486	1.9
301.21588	2.2
313.21411	1.5
315.23166	7.1
317.21194	2.5
333.24231	1.8
335.25821	22.2
371.25977	1.8
373.23611	1.8
375.25522	1.3
389.00058	1.4
391.24991	1.5
433.30835	7.0
441.75833	1.3
451.31717	11.4
469.33182	9.3
475.30911	1.3
485.32300	1.3
487.33649	4.7
507.34406	1.4
515.37317	1.5
525.35577	24.4
543.36719	98.7
561.37744	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.6
53.03936	4.2
55.01868	7.7
55.05507	30.3
57.03430	17.9
57.07067	1.8
59.84894	1.5
61.02921	9.4
65.03933	1.8
67.05494	100.0
67.80004	0.9
69.03415	2.9
69.07059	30.7
71.04971	5.9
73.02888	2.5
79.05476	62.9
81.03413	4.5
81.07042	78.2
83.04958	11.5
83.08598	17.2
85.02892	8.5
85.06504	8.2
91.03918	2.0
91.05461	59.7
92.08673	2.7
93.07026	74.6
95.04942	15.7
95.08584	48.0
96.32925	1.1
97.02876	11.7
97.06514	13.2
97.10151	4.7
99.08081	2.2
105.04494	2.1
105.07014	48.8
107.04923	9.8
107.08578	43.1
109.02865	1.3
109.06483	8.6
109.10143	41.4
111.04431	16.3
111.08080	7.8
113.05972	2.3
113.09639	2.2
115.05444	2.6
117.06989	27.4
119.08553	41.2
121.06483	6.1
121.10121	28.3
123.04449	1.5
123.08056	7.5
123.11710	5.0
125.05970	1.8
125.09657	5.0
128.06250	4.7
129.06985	16.5
131.08540	30.8
133.06500	5.1
133.10098	40.5
133.11026	1.9
135.08043	7.7
135.11659	33.0
137.09639	5.5
141.07019	1.7
143.08516	16.4
144.09326	2.1
145.06464	4.3
145.10120	36.2
147.08044	6.8
147.11649	17.2
149.09636	9.7
149.13254	6.4
151.11185	6.4
153.07016	1.5
153.09146	1.1
155.08540	8.3
157.10089	8.7
159.08089	2.9
159.11668	17.6
161.09615	5.8
161.13290	6.5
163.11142	14.4
163.12193	1.0
169.10120	7.1
171.11691	11.5
173.09639	8.0
173.11787	2.8
173.13268	11.0
175.11162	6.0
175.14771	2.5
181.10149	2.7
183.11693	6.5
185.09532	1.4
185.13280	5.5
187.11116	2.3
187.14796	2.6
189.12810	1.7
189.16299	1.4
191.10658	10.3
195.11711	4.4
197.13264	5.9
199.11194	1.3
199.14891	4.6
203.14293	1.6
209.11646	13.2
209.13390	1.5
213.12817	2.0
219.11494	1.2
227.12743	2.0
227.16287	3.7
229.14326	7.9
243.20996	2.1
247.68828	1.2
255.15819	11.0
259.20432	2.3
261.22147	5.6
271.20621	1.7
273.22144	7.0
279.23196	1.5
283.15353	49.6
297.21967	2.0
299.19955	4.3
301.16287	1.8
301.21567	2.6
315.23218	6.7
317.21155	1.8
327.22775	1.6
333.24084	2.0
335.25723	6.8
343.22769	1.3
353.24670	1.6
373.23999	1.8
415.29965	1.5
433.30917	2.5
435.27484	1.4
451.31949	11.8
469.33200	9.2
487.33746	6.9
515.37238	1.5
525.35681	25.6
543.36694	97.7
544.36627	1.9
561.37799	43.2
705.41656	1.6
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	Unknow
Peak:m/z	Relative Intensity
57.03421	1.6
60.22721	0.6
61.02914	1.5
69.03405	1.6
73.02898	0.8
74.13123	0.7
81.03386	1.2
85.02881	7.7
97.02880	0.9
103.03902	1.2
107.00140	1.0
109.02870	3.1
109.86179	0.7
119.04910	5.4
121.02841	32.1
131.04890	1.1
137.05954	3.2
145.02872	4.3
147.04364	1.5
151.35057	0.8
153.39247	0.9
161.05945	1.5
163.03906	1.7
179.03313	1.2
189.01852	4.4
191.03362	4.5
195.02861	3.5
201.05492	1.1
203.03345	4.3
205.04907	1.3
207.02863	9.9
214.28154	0.9
215.03270	1.0
217.05002	1.7
219.02892	7.2
221.04338	1.9
227.03372	1.0
229.04948	5.0
233.04373	3.0
245.04330	0.9
253.04813	0.9
255.02887	1.9
255.06062	1.0
257.04340	3.7
267.06531	1.5
268.07327	3.5
269.07773	0.8
273.03943	1.3
279.06540	3.4
280.07239	1.3
281.07986	6.4
283.05933	7.0
284.06689	1.2
285.04004	4.3
291.06366	1.8
293.08023	1.3
294.05203	21.4
294.08298	1.3
295.05963	69.0
296.06839	7.0
297.07504	7.5
304.07358	0.9
305.07886	1.0
307.05948	46.4
307.09003	1.6
308.06732	17.0
309.07529	13.6
313.07007	6.5
317.07922	1.7
319.05945	8.8
319.09381	1.4
320.06686	3.4
321.07498	24.7
322.08276	11.0
323.05521	3.9
323.09045	5.1
325.06989	100.0
326.07263	0.8
333.07523	8.1
335.05484	2.1
335.09088	12.1
336.06314	2.8
337.07001	71.5
339.08633	1.6
345.07452	3.7
346.08163	1.3
347.09100	13.5
349.07004	27.6
351.08606	22.4
355.08023	16.2
361.06967	13.7
361.10825	1.9
363.08545	6.9
365.10162	9.7
367.08002	4.7
373.06906	5.2
375.08624	10.0
379.08051	47.5
379.49557	0.9
385.06793	4.0
387.08557	1.6
389.10211	1.6
391.08032	25.7
393.09750	3.7
401.10165	1.8
403.07953	23.1
409.09027	16.0
415.08356	1.2
417.09546	2.0
421.08984	15.9
427.09839	6.2
429.09247	0.9
433.09030	1.5
439.09995	8.8
445.08963	3.4
457.11353	15.1
463.10046	3.2
469.09888	1.6
475.10910	1.6
481.11044	8.1
487.11493	5.3
499.12668	1.2
505.11395	1.5
511.12408	1.9
517.13409	7.6
523.12390	7.1
541.13409	13.7
553.13129	1.6
559.14465	3.3
571.14410	15.0
577.14954	1.5
583.14203	6.1
589.15509	12.4
601.15387	11.3
607.16644	1.0
619.16437	51.4
619.26593	1.7
620.16266	0.9
637.17462	13.1
643.16479	7.4
655.16925	1.2
661.17761	7.8
665.13391	0.9
673.17664	11.5
685.17273	8.1
691.17926	3.5
703.18665	11.4
721.19574	12.9
739.20667	11.1
757.21576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.1
53.03933	2.2
55.01858	6.9
55.05504	21.2
55.68136	1.0
57.03427	10.5
57.07046	1.6
61.02904	1.6
65.03936	1.2
67.05147	2.4
67.05493	55.8
69.03422	1.4
69.06721	1.3
69.07059	23.7
70.12018	1.1
71.04961	4.6
77.68333	1.0
79.05477	42.5
81.03409	4.2
81.07042	100.0
83.04967	6.8
83.08606	15.6
85.02878	1.8
85.06506	2.6
91.04961	1.7
91.05468	28.8
93.06496	2.2
93.07034	51.1
95.04939	7.7
95.08584	24.9
97.06522	10.6
97.10135	2.6
99.08073	1.6
105.07024	26.8
107.04935	7.1
107.08577	31.3
109.06501	17.3
109.10119	8.0
111.08059	5.7
113.05965	1.4
117.06995	11.3
119.08575	20.1
121.06462	5.3
121.10121	16.7
123.08001	4.8
123.11661	7.0
128.22131	1.3
129.07028	1.7
131.08571	15.5
133.10101	17.8
135.08012	5.6
135.11673	7.0
137.09663	1.8
143.08513	2.2
144.09341	1.3
145.10100	8.7
147.11665	13.5
149.09607	6.4
149.13254	15.1
151.11130	2.4
157.10065	1.7
159.11697	11.6
161.13326	1.2
163.11186	4.6
163.14738	1.3
165.12706	2.0
173.13226	1.9
177.12746	1.7
185.12964	1.1
195.13773	2.3
247.20749	1.4
257.19067	1.4
269.17435	43.6
275.19989	27.0
293.21060	5.5
344.15823	1.2
349.23752	11.9
367.24878	8.8
463.30524	5.0
543.36707	63.5
544.37354	4.7
561.37799	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2177
Annotation	Kaempferol 3-glucosyl-(1->2)-rhamnoside-7-glucoside
Peak:m/z	Relative Intensity
53.03928	0.5
53.22481	0.3
53.84518	0.3
57.03421	2.4
60.34007	0.3
61.02904	2.3
61.85296	0.3
69.03410	6.3
70.06546	0.6
71.01325	0.4
71.04967	3.7
73.02892	0.8
81.03395	4.4
84.04475	0.5
85.02881	16.3
87.04431	0.7
90.24165	0.4
94.56702	0.4
97.02846	4.9
99.04446	0.7
103.03927	0.7
109.02863	2.1
111.04405	0.7
121.02842	2.6
127.03920	2.5
133.06380	0.4
135.04358	1.0
137.02319	7.8
137.05927	0.6
145.04897	0.5
151.03893	0.5
154.08647	0.5
161.02299	0.6
163.03876	0.5
164.65970	0.4
165.01753	1.0
167.03310	0.6
171.02800	1.6
177.01758	0.6
179.03423	0.6
183.02837	0.7
187.03957	0.4
189.05304	0.5
191.03287	0.5
195.02884	2.7
207.02969	0.4
213.05449	0.7
217.04861	2.8
229.04906	1.0
233.04460	0.5
243.02866	0.9
243.06573	0.6
255.06477	0.5
259.06064	3.4
261.03882	2.4
271.05838	3.1
272.06650	3.4
283.05960	9.9
284.06747	5.5
286.04514	0.6
287.05457	7.7
294.05014	0.6
295.05966	5.0
297.07578	1.8
299.05435	38.1
300.06204	24.6
301.06750	2.0
307.05948	0.8
309.07385	0.7
311.05414	18.9
311.09030	0.7
313.06992	25.2
314.07404	0.4
323.05280	1.7
323.09192	2.3
324.06201	1.8
325.06934	6.5
327.04926	0.9
329.06485	100.0
330.06866	0.9
337.07016	4.4
339.04861	1.6
339.08502	7.7
341.06436	2.5
343.07956	0.8
349.06979	0.7
349.44684	0.5
351.08350	0.8
353.06470	18.7
353.10822	0.7
355.07983	0.5
359.07574	3.1
361.07004	0.6
365.06308	0.8
367.07986	6.5
371.07584	0.9
379.08124	2.0
383.07495	6.4
395.07498	5.9
397.09122	2.9
413.08615	16.5
415.10196	3.6
431.09631	17.7
433.11270	8.7
449.10699	21.4
457.10980	2.2
475.12155	6.0
577.15955	1.0
595.16455	15.0
611.15948	14.6
757.21710	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	757.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01860	1.2
57.03422	5.5
57.44688	0.6
61.02920	7.8
65.03925	1.2
68.99769	1.0
69.03414	18.3
73.02891	4.2
76.83512	0.7
81.03397	8.0
85.02887	34.5
87.04472	1.6
91.05408	1.4
97.02876	13.2
99.04446	1.0
103.03908	3.5
109.02850	5.4
111.04419	1.1
119.04920	6.1
121.02832	34.1
127.03880	4.3
139.63721	0.8
145.02814	4.3
147.04407	1.6
151.03902	0.8
152.31277	0.8
159.04431	0.9
163.03876	1.4
165.01744	0.9
165.92113	0.8
175.03790	1.0
176.01141	0.8
179.03339	3.6
181.04861	1.6
187.03722	1.8
189.01765	5.2
191.03368	7.8
195.02856	4.3
201.05411	1.9
203.03362	7.7
205.04973	2.0
207.02888	11.4
209.04289	1.1
211.04034	0.8
213.05515	0.9
215.03416	1.4
217.04857	3.9
219.02858	9.0
219.06274	0.9
221.04465	4.1
229.04944	4.2
233.04359	4.3
237.03993	1.0
243.02768	1.2
243.06622	1.0
247.06020	1.0
253.08327	0.9
255.02869	1.7
257.04407	2.0
267.02682	0.9
267.06409	1.9
268.07208	5.7
279.06439	4.3
280.07260	1.4
281.07996	7.8
283.05927	11.0
284.06818	1.8
285.03928	3.4
291.06458	1.0
292.07196	1.0
293.08078	4.1
294.05148	25.7
294.08270	1.4
295.05960	66.5
296.06708	8.1
297.07520	11.5
298.08264	1.5
307.05960	47.5
308.06741	22.4
309.07458	12.7
313.06955	9.4
317.07828	1.8
319.05981	9.4
320.06610	4.5
321.07492	27.5
322.08221	13.0
323.05637	2.8
323.09076	6.3
325.06995	100.0
328.88177	1.0
333.07516	8.2
335.09088	10.9
336.06155	3.8
336.09851	1.1
337.07004	80.3
338.07465	1.2
339.08493	1.5
345.07437	1.7
347.09119	9.8
349.06979	26.6
350.07513	1.7
351.04456	1.4
351.08511	24.0
355.07983	29.1
357.07394	1.4
361.06982	13.6
361.10910	1.3
363.08347	5.9
365.10056	13.4
367.08026	6.8
373.06955	1.9
374.07620	1.1
375.08527	11.5
379.08029	50.1
385.07062	3.4
387.08481	1.1
389.10211	1.7
391.08014	25.9
393.09497	4.5
401.09799	1.2
403.08038	20.3
409.09085	28.7
415.08304	3.8
421.09161	15.2
427.10233	9.7
433.09430	1.1
439.10269	18.7
445.09235	3.8
457.11212	95.7
463.10239	1.6
475.12274	23.9
481.11185	15.5
487.10309	1.7
499.12393	8.5
505.11240	1.4
511.12299	15.5
523.12305	11.8
529.13055	4.4
541.13275	15.0
559.14380	18.7
577.15448	32.0
595.16241	3.7
637.17120	3.7
685.17487	1.2
703.18225	1.6
714.83929	0.9
757.21558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73809	2.7
53.03941	4.1
54.42231	3.2
55.01881	3.6
55.05509	37.2
57.03423	21.0
57.07067	15.3
61.02927	5.9
67.05493	100.0
69.07047	28.1
71.04982	4.3
71.08606	6.0
79.05473	51.1
81.03384	7.5
81.07037	80.2
82.72104	3.1
83.08609	22.6
85.02867	7.1
91.05473	43.2
93.07018	62.5
93.78841	3.5
94.66927	3.8
95.04957	21.2
95.08575	45.1
97.06500	5.4
97.10153	17.1
105.06996	17.6
107.04994	6.1
107.08571	29.3
109.06510	4.0
109.10126	38.0
111.08093	5.0
117.07002	9.3
119.08556	16.5
121.06507	5.5
121.10119	15.2
123.11678	4.9
125.09618	14.8
131.08546	19.3
133.10161	4.9
135.11681	7.9
145.10095	7.4
149.13239	7.5
157.43977	3.8
159.11644	7.9
167.16359	4.3
173.11716	4.6
177.12831	3.3
182.14478	3.6
185.19962	3.7
215.63582	4.2
223.13327	33.1
224.06342	4.1
229.14258	8.5
261.21976	8.1
279.15918	7.5
297.16867	63.7
313.27234	21.0
324.88049	3.8
335.25848	33.7
457.68024	3.7
557.38226	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.2
55.05507	23.2
57.03439	15.4
67.05492	32.2
69.03416	4.1
69.07052	9.9
71.04965	3.3
71.67751	2.6
74.95892	2.4
79.05481	29.3
81.02930	3.6
81.03398	80.8
81.07038	29.0
83.04963	10.9
83.08614	25.4
83.83579	1.9
85.02861	2.8
86.60280	2.0
91.05457	21.9
93.07024	29.0
95.04945	26.8
95.08588	14.6
97.02914	2.8
97.06493	2.8
97.10154	28.1
101.66939	2.2
105.07033	22.2
107.04952	21.6
107.08592	24.1
108.87568	2.0
109.06498	13.2
109.10130	14.0
111.04425	2.3
111.08102	4.0
115.21976	2.2
117.06987	5.1
119.08549	20.3
121.06480	16.5
121.10117	13.6
123.08038	3.0
125.09614	18.8
125.10426	2.0
129.06976	12.7
131.04909	3.4
131.08527	11.7
133.06502	3.7
133.10110	9.5
135.08029	9.3
137.05971	3.3
137.09544	2.6
143.08528	3.6
145.06459	10.1
145.10106	10.4
147.08011	5.3
147.11673	10.6
149.05942	3.2
149.09634	4.1
153.09065	4.1
157.06435	3.1
157.10097	11.2
161.09613	2.5
163.11139	3.7
165.12791	2.5
175.11154	4.7
189.11107	7.5
193.12193	17.1
194.60686	2.1
215.14139	2.8
219.13834	3.0
233.15294	4.2
253.26767	2.5
255.13808	4.9
267.15817	41.9
273.14719	10.2
293.77301	2.4
339.23154	3.3
343.21140	2.2
349.21606	4.2
367.22690	18.1
385.23581	29.4
403.24448	8.5
405.58359	2.4
441.26294	10.1
459.27402	100.0
477.28360	99.9
491.30145	15.3
505.25323	3.1
509.30759	4.7
567.29767	2.7
731.03735	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	754.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73809	2.7
53.03941	4.1
54.42231	3.2
55.01881	3.6
55.05509	37.2
57.03423	21.0
57.07067	15.3
61.02927	5.9
67.05493	100.0
69.07047	28.1
71.04982	4.3
71.08606	6.0
79.05473	51.1
81.03384	7.5
81.07037	80.2
82.72104	3.1
83.08609	22.6
85.02867	7.1
91.05473	43.2
93.07018	62.5
93.78841	3.5
94.66927	3.8
95.04957	21.2
95.08575	45.1
97.06500	5.4
97.10153	17.1
105.06996	17.6
107.04994	6.1
107.08571	29.3
109.06510	4.0
109.10126	38.0
111.08093	5.0
117.07002	9.3
119.08556	16.5
121.06507	5.5
121.10119	15.2
123.11678	4.9
125.09618	14.8
131.08546	19.3
133.10161	4.9
135.11681	7.9
145.10095	7.4
149.13239	7.5
157.43977	3.8
159.11644	7.9
167.16359	4.3
173.11716	4.6
177.12831	3.3
182.14478	3.6
185.19962	3.7
215.63582	4.2
223.13327	33.1
224.06342	4.1
229.14258	8.5
261.21976	8.1
279.15918	7.5
297.16867	63.7
313.27234	21.0
324.88049	3.8
335.25848	33.7
457.68024	3.7
557.38226	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30152	0.5
55.01854	0.9
72.18176	0.6
79.05473	1.6
79.83234	0.7
81.03358	0.8
84.45003	0.7
85.02916	1.0
91.05464	7.8
92.09248	0.7
94.04163	3.1
95.04926	1.3
100.53647	0.6
103.05449	4.0
105.07014	2.5
107.04971	1.3
115.05418	1.1
117.07011	1.3
119.04898	6.3
121.06467	3.4
121.07299	0.7
122.03634	7.2
127.03872	0.7
128.11546	0.6
129.06956	0.8
131.04901	7.5
133.02831	1.4
133.06424	1.4
135.04355	1.2
135.08067	1.5
137.05959	100.0
138.06299	1.4
141.06850	0.8
141.30801	0.7
143.08546	1.1
145.06473	1.1
146.03580	0.8
147.04398	4.2
147.08057	1.1
149.05968	3.2
151.03870	2.6
151.07521	18.1
157.06485	1.0
159.07994	1.1
161.05919	8.5
161.09572	0.9
162.06696	0.9
163.07498	7.9
165.06934	2.3
165.09067	1.4
167.07051	0.8
167.08517	1.4
171.08057	1.4
175.07494	7.2
177.05507	1.1
177.09076	26.7
179.08543	1.0
181.06535	0.6
181.70505	0.6
187.07471	1.1
189.09019	3.6
193.06445	2.6
194.07254	1.1
195.08063	3.2
195.10106	0.7
201.09119	1.4
203.10625	1.5
205.06477	1.0
207.08122	0.9
209.11801	0.9
210.06798	1.2
211.07509	1.0
213.09125	0.8
219.08086	1.9
219.10023	2.3
221.05983	3.8
221.11673	2.3
223.07469	0.9
224.08174	0.9
225.09062	3.0
227.10669	1.6
231.08012	1.3
233.05965	0.8
235.07498	1.0
237.09010	2.7
239.06989	1.3
239.10529	0.7
247.07657	1.0
248.08339	0.8
249.09004	1.2
251.06781	0.8
251.10677	1.3
253.08554	4.8
254.09201	0.9
255.10178	0.8
261.08820	0.8
263.10474	0.9
265.08517	7.5
267.10065	2.9
268.07245	1.6
277.08514	1.5
279.10095	1.2
282.08740	1.0
283.06760	0.7
283.09552	5.8
285.11191	4.3
287.12796	0.9
295.09561	1.1
296.10400	0.7
297.11200	9.0
299.12704	3.1
303.10205	0.9
309.11044	2.8
311.12738	4.4
321.11020	1.0
323.12665	1.5
335.12778	1.1
341.13925	0.8
351.16119	0.9
355.15222	0.8
491.20532	0.9
493.21674	1.1
499.20624	0.8
517.22253	0.9
521.21558	0.8
623.26715	0.8
635.25726	0.7
641.27032	2.6
653.27209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05504	13.7
55.64334	2.1
57.03431	28.9
57.06812	3.3
57.07069	52.4
58.16969	1.9
67.05492	25.7
69.03416	3.6
69.07047	11.4
70.38203	2.6
71.08615	35.7
71.28729	2.0
72.02708	2.1
79.05479	17.7
81.03407	96.3
81.07041	34.9
83.08630	17.3
83.82063	2.1
85.02885	2.4
85.10168	14.7
91.05460	17.4
93.07013	13.1
95.04964	24.6
95.08580	32.4
97.02869	3.5
97.10140	4.7
105.07024	10.9
107.04908	4.3
107.08599	3.8
109.10149	14.8
111.04423	2.4
111.08071	3.6
119.08565	14.3
121.06499	3.6
121.10143	9.3
129.07016	12.0
131.08585	10.1
133.10106	4.6
147.11673	3.7
149.09628	3.8
157.10133	11.2
174.75809	2.7
175.11096	9.8
193.12219	28.9
251.85112	2.3
257.24847	4.4
266.50140	2.6
267.15881	100.0
276.61209	2.8
313.27325	96.3
398.55154	3.1
505.31897	3.0
505.38864	75.7
535.96503	2.7
563.53485	2.6
679.33765	2.5
737.87097	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	752.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81234	5.4
55.05509	10.9
57.03431	28.4
57.07066	49.2
63.81584	4.2
64.22136	3.9
66.21370	3.8
67.05505	27.2
69.07049	10.5
71.08614	35.4
79.05488	19.9
81.03400	100.0
81.07035	33.0
83.08601	26.9
85.10169	20.3
91.05463	25.5
93.07024	8.4
95.04957	30.1
95.08595	33.6
97.10170	6.9
99.91714	4.1
105.07040	18.1
107.04905	7.2
107.08562	5.2
109.10152	16.9
111.08096	7.2
119.08577	27.7
121.10207	5.2
129.06985	16.7
131.08522	5.5
133.10098	7.8
147.11681	7.6
157.10127	7.9
164.96895	4.2
175.11119	8.3
189.05110	5.0
193.12180	43.6
200.89607	4.1
267.15875	82.7
313.27286	97.1
442.60202	5.2
505.38748	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05515	0.5
56.40654	0.3
62.45120	0.4
66.47920	0.4
67.05506	0.4
69.03413	0.4
72.78573	0.4
73.40839	0.4
73.97327	0.4
79.05473	2.5
81.07056	0.8
91.05457	11.3
93.07021	0.9
94.04173	1.9
95.04949	2.3
95.08619	0.5
103.05458	8.4
105.03378	0.5
105.07023	4.8
107.04926	1.9
109.06525	1.0
111.04466	0.6
115.05437	2.7
116.06159	0.5
117.06995	3.8
119.04921	8.7
119.08527	0.7
121.06487	6.0
121.10061	0.5
122.03633	5.8
123.04383	0.4
123.08024	0.6
127.03932	0.5
128.06154	0.7
129.07010	2.4
131.04909	16.6
131.08533	1.0
133.02832	1.5
133.06436	2.7
133.10141	0.5
135.04408	0.9
135.08020	1.0
136.05226	0.8
137.05956	99.7
138.06361	0.6
141.06967	0.5
143.08516	1.8
144.05585	0.4
145.06468	1.8
146.03627	0.8
147.04387	4.9
147.08018	1.9
149.05965	4.4
149.09595	1.0
151.03944	0.4
151.07524	22.5
153.05475	0.8
153.06839	0.5
159.08064	1.9
161.05949	6.9
162.06718	3.4
163.07510	21.6
165.06952	0.6
165.09070	0.8
167.06934	0.5
169.06494	0.4
171.08014	1.8
174.06718	0.6
175.07513	11.5
177.09073	100.0
178.07722	0.5
179.07042	1.0
179.08551	0.7
181.08600	0.7
187.07509	7.1
188.08174	0.6
189.09116	2.5
191.08557	0.6
191.10522	0.5
193.06543	0.7
193.08553	2.3
194.07155	1.0
195.08188	0.8
195.10098	2.6
196.08780	0.6
201.09041	2.5
203.08659	0.7
203.10637	2.2
207.08055	0.8
207.10017	0.6
211.82983	0.5
217.08568	0.6
219.08069	1.8
219.10133	1.6
221.05986	1.0
221.09700	0.7
221.11667	6.4
223.07495	0.7
224.08365	0.7
225.09041	1.9
231.08008	0.8
233.09435	1.6
235.07338	1.0
236.08160	0.5
237.09016	2.6
238.06319	0.5
239.06961	0.7
239.10651	1.6
247.07410	0.9
248.08221	0.9
249.08984	0.7
250.06096	0.6
251.10626	0.7
253.08496	1.9
259.07385	0.7
261.09036	2.4
263.10687	1.6
264.07950	0.7
265.08542	5.6
265.11356	0.6
267.09982	2.1
277.08499	1.9
279.10068	2.7
281.11554	0.6
285.11105	2.4
289.08673	0.4
291.09970	1.7
293.11566	2.2
295.09625	0.9
296.10400	0.7
297.11160	6.5
299.12808	4.3
300.54825	0.4
308.10297	2.0
309.11053	2.5
311.12701	6.4
313.14188	1.0
315.12054	0.5
321.11255	0.6
323.12839	3.4
325.14221	4.6
327.12155	1.0
327.15707	0.9
335.12775	0.8
341.13794	4.1
343.15131	2.2
351.15912	0.9
355.15475	0.8
367.15234	1.8
369.16821	0.6
381.16873	0.9
475.21149	3.3
501.28403	0.5
505.22046	0.7
654.35303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24247	1.0
55.01851	1.7
64.35804	1.1
67.05505	1.3
70.19592	1.1
79.05465	2.7
81.03378	1.4
83.05010	1.5
91.05469	14.0
93.07018	2.3
94.04166	1.8
95.04954	2.5
97.06508	1.3
103.05439	5.9
105.07008	6.9
107.04929	7.7
115.05448	2.5
117.07016	2.3
119.04926	10.9
119.08515	1.3
121.06455	6.8
122.03625	6.0
128.06152	2.0
129.06960	5.4
131.04886	12.1
131.08540	2.8
133.02840	2.4
133.06479	5.2
135.08038	4.9
137.05962	100.0
141.06996	2.0
145.06429	2.6
146.07256	1.4
147.04378	7.5
147.08078	2.5
149.05946	8.8
151.03877	5.4
151.07516	20.1
154.16635	1.6
157.06473	6.2
159.08006	3.0
160.05164	1.2
161.05966	45.6
161.09593	5.8
162.06604	2.5
163.07509	12.3
165.06946	2.8
167.08511	2.0
169.06494	1.4
173.05920	1.4
174.06770	5.2
175.07527	21.4
177.05408	1.4
177.09096	2.5
179.07050	1.5
179.08488	1.4
181.06401	4.9
187.07559	5.1
189.07359	1.9
189.09084	23.1
191.06953	1.5
191.08580	1.9
193.06575	3.9
194.07257	2.6
195.08011	5.6
199.07568	1.8
201.09073	5.7
205.06378	2.1
207.08202	1.5
207.10133	6.3
211.07541	2.5
213.09093	2.3
219.08002	6.1
219.10123	16.6
221.05977	7.6
221.09576	2.0
223.07457	5.6
224.08441	2.7
225.09036	6.8
227.10626	2.1
231.08109	2.2
233.05905	1.5
233.09537	1.5
234.06554	1.9
235.07527	7.1
236.08276	2.1
237.08969	4.9
239.06935	4.5
241.01347	1.2
243.10315	1.6
247.07419	5.4
248.08368	1.6
249.09058	6.7
251.07011	4.7
251.10677	1.8
252.07753	1.8
253.08498	9.4
255.06360	1.6
255.09952	1.4
259.07434	1.7
263.06918	4.8
264.07831	2.1
265.08560	12.0
267.10114	7.0
268.07101	1.8
269.08307	1.2
273.11288	2.7
275.10342	1.6
277.08481	7.4
277.12173	1.8
278.09134	2.2
279.06317	1.5
279.09982	2.8
281.08307	1.9
281.11734	2.4
283.09708	7.6
285.11099	7.5
289.08530	2.3
291.10068	2.6
293.08081	2.5
295.09631	2.6
296.10278	1.6
297.11221	14.8
299.12607	1.4
303.10056	2.0
307.09744	4.5
309.11359	9.9
310.12057	4.6
311.12708	8.0
321.11307	2.8
327.12509	4.7
329.13837	10.8
335.12616	2.0
337.14178	2.6
349.14496	1.8
355.15430	12.8
367.15515	9.4
379.15189	1.8
385.16367	1.9
397.16516	18.0
431.14664	2.2
445.16147	2.5
459.17737	5.5
477.19119	7.4
489.18805	5.1
503.20709	2.0
565.39172	1.4
609.24792	2.0
627.25690	5.0
639.25812	5.5
657.26404	2.7
659.28851	1.4
753.32489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	3.1
55.05497	30.1
57.03428	19.5
57.07051	4.3
57.73790	2.8
60.49734	2.8
61.02908	3.0
67.05493	100.0
69.07050	27.7
69.75256	2.8
73.92409	2.7
75.20082	2.9
79.05473	64.7
81.07038	82.9
83.04931	3.4
83.08608	11.6
85.06555	3.2
87.04473	4.5
91.05466	37.1
93.07026	98.2
95.04945	5.8
95.08586	71.4
97.06539	3.7
97.10087	3.3
99.08045	4.5
105.07012	34.2
107.08578	43.9
109.06501	4.7
109.10126	29.3
115.05442	3.9
117.07024	5.9
119.08575	26.7
121.10120	32.7
123.11661	4.9
131.08525	20.6
133.10106	24.3
135.11678	30.9
140.30948	3.2
145.10114	20.8
147.11690	17.5
149.13266	12.5
159.11705	15.2
161.13213	4.2
171.11710	4.2
173.13264	5.7
177.12851	3.2
215.17909	6.0
278.10687	3.2
293.21201	4.4
307.22583	42.2
309.24106	3.7
316.04788	3.6
321.24100	41.5
553.42383	12.0
571.43646	7.7
690.15460	3.8
713.69312	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	751.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01863	0.4
55.05503	3.9
57.03424	4.8
58.88292	0.4
61.02914	6.6
64.77603	0.4
65.81345	0.4
67.05490	9.7
69.03420	3.8
69.07056	5.7
69.56798	0.4
71.01300	0.5
71.04976	1.1
73.02901	4.9
77.27206	0.4
79.05478	7.5
81.03407	9.2
81.07038	13.7
82.07386	0.7
83.04967	0.6
83.08591	1.1
85.02879	5.8
91.03950	2.8
91.05450	6.6
93.07019	7.5
95.04971	1.7
95.08586	6.8
97.02876	6.1
97.06523	0.9
99.04449	1.0
101.02386	2.0
105.07013	3.0
107.08592	2.2
109.06532	0.7
109.10150	4.0
111.08103	0.5
117.07025	0.7
119.08556	5.3
121.06507	0.7
121.10104	1.0
123.08033	0.4
123.11610	0.6
127.03902	2.0
135.11632	0.6
137.09581	2.1
147.08092	2.0
147.11771	0.5
165.09122	2.8
171.37701	0.5
201.11221	0.6
239.12749	0.6
243.08485	2.5
255.12015	5.8
270.68799	0.4
311.14655	0.7
335.25830	0.5
337.27402	2.4
372.21298	0.6
473.19891	13.4
519.29321	6.0
546.66602	0.5
565.13281	0.5
751.42194	100.0
752.42432	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	748.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01863	1.7
55.05508	17.1
57.03435	14.9
57.07072	2.1
61.02915	2.3
65.03958	1.2
67.05495	40.4
69.07063	24.1
71.04990	3.0
73.02889	1.8
79.05481	18.4
81.03406	100.0
81.07047	40.1
83.04980	2.8
83.08611	8.2
85.02898	2.3
86.09689	2.5
91.05463	26.3
93.07040	21.4
95.04949	8.0
95.08588	32.7
97.02868	2.4
97.06519	5.6
97.10162	5.7
105.06997	10.7
107.08599	11.1
109.10150	14.6
117.07029	1.2
119.08564	24.6
121.06489	8.1
121.10138	7.8
121.99298	1.3
123.04388	1.7
123.08054	5.2
123.11682	5.2
124.99955	2.2
129.07007	1.2
131.08548	2.4
133.10132	7.3
135.08015	1.4
135.11703	2.5
135.87079	1.2
137.09608	16.4
143.08595	1.6
145.10100	1.8
147.06677	1.1
147.08058	7.1
147.11697	2.2
163.14818	1.7
165.09088	18.9
168.03925	1.2
175.11174	1.3
177.09033	1.3
184.07336	7.9
216.40933	1.2
222.87894	1.2
239.12724	46.7
251.12474	1.2
255.81804	1.3
263.23575	1.6
337.27313	35.3
356.30405	1.3
409.30872	2.2
427.32034	2.5
501.29105	2.0
501.35727	41.5
519.29401	1.8
519.36725	33.1
520.30176	1.7
533.38562	4.5
570.69769	1.5
648.57928	1.3
747.42786	6.3
748.42767	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
56.73103	0.9
57.03408	1.9
61.02903	6.5
61.68916	1.0
67.05477	8.8
69.03419	2.3
69.07053	1.7
71.04993	1.0
73.02893	4.9
79.05477	1.7
80.22670	1.0
81.03387	1.5
81.07056	6.1
83.08619	1.1
85.02890	5.6
85.06574	1.0
91.03938	2.0
91.05476	2.2
93.07040	5.7
94.99494	1.0
95.08590	4.9
95.80538	1.1
97.02865	6.2
97.06498	1.2
105.07050	1.2
105.15219	1.0
107.08591	2.3
109.10163	2.6
119.08573	2.2
120.13393	1.1
127.31499	1.0
133.10194	1.6
135.11707	1.3
137.09523	1.2
198.10040	1.1
202.17635	1.1
243.08253	1.4
253.14058	1.2
471.22116	4.7
519.29468	7.1
749.44269	100.0
750.44354	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03004	1.5
54.78710	1.9
55.01873	1.9
55.05506	16.8
56.84524	2.1
57.03432	14.6
61.02923	1.9
65.78740	1.7
67.05493	52.7
69.07053	60.5
69.07409	3.2
71.75079	1.8
72.42692	1.8
73.06544	2.1
79.05467	45.1
81.03391	15.7
81.07039	100.0
83.04952	2.3
83.08609	8.7
85.02879	11.2
91.05455	24.8
93.07019	35.1
95.04941	2.9
95.08591	29.9
97.02847	2.3
97.06520	10.5
97.10155	2.3
99.08084	2.6
105.07018	13.6
107.08584	18.0
109.06525	3.4
109.10143	11.1
115.07547	3.5
117.07015	9.6
119.08570	12.8
121.06422	2.0
121.10104	11.1
127.07543	2.0
131.08546	4.6
133.10109	10.7
135.08055	10.8
135.11588	4.1
137.09569	3.5
145.10124	3.2
147.11664	3.7
154.63327	2.0
157.08592	1.9
159.11690	3.6
165.09134	2.6
173.13206	2.6
199.09572	2.9
201.11279	15.4
261.22223	2.8
273.13263	2.7
335.25729	20.9
396.37872	2.1
419.59283	2.1
533.34161	3.7
748.42133	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	748.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17378	0.6
53.00298	1.4
53.03928	1.5
55.01865	3.8
55.05502	12.9
57.03431	16.9
57.07055	0.8
58.05209	0.6
60.75704	0.7
61.02897	3.7
65.03917	1.1
67.05145	1.6
67.05493	37.9
69.03413	1.1
69.07054	49.4
71.01344	0.8
71.04974	1.8
71.54038	0.6
73.06522	1.1
74.73122	0.7
79.05476	41.5
81.03396	8.8
81.07038	100.0
83.04968	3.4
83.08607	1.7
83.30246	0.7
85.02888	11.5
85.09096	0.7
91.03924	1.1
91.05457	19.6
93.07024	31.7
95.04954	5.6
95.08582	27.2
97.02833	1.7
97.06506	9.2
97.10125	1.1
97.64442	0.7
99.08089	4.3
100.11625	0.7
103.03928	0.6
105.07024	11.3
107.04922	1.2
107.08566	15.8
109.06503	2.8
109.10143	10.5
111.08041	1.2
115.07542	4.0
117.07014	6.5
119.08546	8.3
121.06470	3.0
121.10136	8.4
123.08112	1.5
123.11673	1.5
125.09583	1.3
127.07525	3.2
129.06979	1.4
131.08554	6.4
133.10127	6.0
133.96533	0.7
135.08028	8.2
135.11667	4.6
137.09593	0.7
143.07047	0.9
143.08499	0.9
145.08580	4.9
145.10107	3.5
147.11687	3.2
149.13219	1.6
159.11664	3.7
161.13225	0.7
163.07506	2.9
165.09047	1.1
171.10197	1.2
173.13263	3.0
184.07253	1.4
185.13373	0.9
199.09616	3.4
201.11186	18.6
214.00519	0.7
261.22110	5.2
273.13354	6.0
277.21600	1.0
291.14401	0.9
335.25754	28.3
345.87109	0.9
363.25452	0.8
461.32422	4.1
530.83716	0.9
533.34808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93819	1.0
54.70565	0.8
55.05500	3.6
57.03423	1.5
60.48236	0.8
60.54152	0.9
61.02915	5.7
67.05492	8.5
69.03429	2.1
69.07041	3.7
73.02901	5.3
79.05479	4.4
81.03413	1.2
81.07040	9.4
82.15518	1.1
83.08634	1.5
85.02896	5.8
91.03926	1.9
91.05453	1.9
93.07046	5.7
95.08611	5.9
97.02897	2.0
101.02336	1.3
107.08582	2.2
107.13271	1.0
109.10128	1.9
119.08576	1.4
121.10130	1.4
128.94215	0.9
134.94559	1.1
135.11717	2.1
145.10220	1.8
163.11180	6.2
200.73643	1.3
211.38544	1.1
218.81670	0.9
227.12802	2.3
236.44063	1.0
242.04729	1.2
249.10985	8.6
250.59322	1.0
305.13510	1.9
467.18857	12.4
521.31024	2.3
747.42657	100.0
748.42651	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	748.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
54.81351	0.3
55.01846	0.3
55.05492	0.4
56.88906	0.2
57.03419	1.3
57.49614	0.2
58.75682	0.2
61.02904	1.7
62.89473	0.2
67.05482	0.5
67.18550	0.3
69.03409	3.5
70.68108	0.2
71.04968	1.6
72.08130	0.6
73.02895	0.5
81.03393	1.4
81.07024	0.7
83.04949	0.5
85.02885	14.8
87.04458	0.4
91.05464	3.1
91.77051	0.3
93.07016	0.6
95.04924	0.6
95.08572	1.1
97.02859	3.5
99.04432	3.6
105.06997	1.8
107.08564	3.1
109.02846	1.1
109.06499	1.5
109.10062	0.4
114.36644	0.3
115.03967	0.3
117.06953	0.3
119.04918	14.0
119.08575	1.2
121.10131	3.1
123.04380	2.4
123.08041	4.1
123.11680	0.4
125.09579	0.7
127.03883	3.1
128.43245	0.3
131.08578	0.4
133.06439	0.4
133.10098	0.4
137.05922	1.5
145.04942	2.4
147.04382	100.0
147.11649	1.9
148.04697	0.3
149.09602	2.1
159.11679	0.6
161.13213	1.5
163.11122	1.6
164.00655	0.3
165.05434	38.2
165.12769	0.5
167.10622	1.1
177.12622	0.4
179.14296	0.6
180.08598	2.7
181.12312	0.3
182.08087	1.1
183.13718	1.0
189.12691	1.8
207.13760	2.9
215.67476	0.3
225.14786	7.3
240.06137	0.3
252.29875	0.3
309.09497	1.3
344.13306	17.5
345.13522	0.5
392.20193	0.3
592.50458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.56111	0.3
55.01872	0.5
55.05499	1.7
55.45998	0.3
57.03423	2.1
57.07056	0.4
61.02916	6.4
62.06251	0.3
64.54668	0.3
67.05492	5.3
69.03411	4.4
69.07056	1.5
71.01349	0.4
71.04978	0.6
71.66556	0.3
73.02900	5.0
75.04463	0.3
79.05471	4.5
81.03387	3.7
81.07034	5.7
83.08603	1.4
85.02892	8.0
85.06516	0.3
87.04468	0.3
91.03921	3.2
91.05461	3.9
92.08621	0.7
93.07014	4.3
95.04945	1.8
95.08597	3.9
97.02874	4.8
97.97642	0.3
99.04442	0.8
101.02370	2.6
105.07021	3.3
107.04925	0.4
107.08583	2.3
109.02847	1.2
109.10146	0.7
111.08032	0.4
114.61179	0.4
119.08621	2.4
121.10133	1.5
127.03886	1.5
129.06996	0.5
131.08540	0.8
133.10115	0.5
135.11693	0.4
147.11703	1.6
149.09636	0.5
157.10172	0.5
175.11195	0.6
184.07396	0.3
185.04300	0.4
192.11546	0.3
193.12251	1.5
203.05220	0.4
211.13287	0.4
243.08318	2.9
251.12560	1.4
307.15500	0.5
311.66388	0.3
335.25711	0.5
387.85776	0.3
395.25107	0.4
467.52197	0.3
469.20337	10.2
519.29266	4.5
747.42743	100.0
748.43225	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01879	0.3
55.05508	1.5
57.03429	3.5
60.80391	0.3
61.02916	7.1
67.05495	5.2
68.75616	0.3
69.03412	3.5
69.07051	1.6
71.01333	0.5
71.04992	0.6
73.02898	5.0
76.55309	0.4
79.05478	4.8
80.94637	0.3
81.03396	3.9
81.07040	6.2
83.01368	0.3
83.08614	1.4
85.02892	8.1
87.04411	0.4
91.03932	4.6
91.05452	3.3
92.09338	0.9
92.47046	0.3
93.07030	4.1
95.04982	1.3
95.08582	5.0
97.02871	6.6
97.10162	0.3
99.04445	1.4
101.02357	2.4
103.03945	0.4
105.06991	2.4
107.08591	2.0
109.02888	0.6
109.06505	0.5
109.10164	1.8
115.03876	0.4
117.07021	0.4
119.08572	1.4
121.10179	2.3
123.11748	0.4
127.03912	1.5
129.06967	0.3
131.08565	1.3
133.10120	1.6
133.14272	0.3
135.11710	1.2
143.23582	0.3
144.96875	0.3
159.11617	0.4
185.04231	0.6
193.12331	0.5
203.05362	0.6
225.91141	0.3
239.17923	0.4
243.08444	2.1
251.12613	2.1
281.36511	0.4
307.15192	0.5
335.25760	1.3
337.35886	0.3
338.93417	0.4
384.40509	0.4
399.80301	0.3
420.75299	0.3
469.20337	4.3
519.29187	8.6
747.42786	100.0
748.43182	3.2
753.58270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55868	1.1
55.05508	2.9
57.03419	2.9
61.02905	6.5
67.05487	12.4
69.03432	3.2
69.07057	3.5
73.02902	5.7
79.05471	6.7
81.03409	9.1
81.07047	12.3
83.08601	2.2
85.02884	6.5
86.61008	1.5
91.03928	2.5
91.05468	2.9
93.07011	6.2
95.05003	1.4
95.08587	7.1
97.02901	2.2
97.06534	1.7
99.04428	1.9
105.07060	1.5
107.08566	2.9
109.10166	2.3
119.08561	3.2
121.10152	5.9
124.99988	1.3
125.09651	1.3
133.10081	1.6
135.11736	1.7
137.00110	1.4
137.09625	2.0
140.99190	1.4
193.12227	1.4
251.12433	3.0
337.27509	2.3
469.20407	7.2
501.35809	6.2
519.29218	2.8
747.42633	100.0
748.42743	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	746.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
53.19867	2.6
55.05515	31.1
57.03431	27.1
60.48655	3.3
67.05499	81.8
68.09534	3.4
69.03424	6.6
69.07052	18.0
76.22639	3.4
79.05479	96.9
81.03401	100.0
81.07043	65.7
83.04964	5.5
83.08616	34.8
91.05456	49.8
93.07028	89.9
93.07585	6.8
94.32495	3.4
95.04943	35.6
95.08595	52.4
97.06527	6.2
103.41843	3.1
105.07002	41.6
107.04951	7.9
107.08581	39.5
109.06501	8.0
109.10168	26.0
117.06989	7.3
119.08585	36.2
121.10162	32.9
123.08012	4.7
123.11691	5.8
129.06958	14.6
131.08513	28.9
133.10094	25.6
135.11700	26.7
145.10098	15.8
147.11656	18.2
149.09572	7.2
149.13206	3.7
157.10100	8.3
159.11649	4.5
163.11171	4.5
173.13239	8.5
175.11157	5.3
184.07230	7.6
193.12209	18.0
215.17899	17.0
233.18878	13.6
258.46869	4.3
267.15805	73.2
288.59338	3.6
294.44812	4.0
307.22635	60.7
425.30515	4.7
499.34045	39.1
517.35046	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	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.52217	0.5
55.05501	2.7
57.03422	3.3
57.92309	0.5
58.20005	0.5
61.02911	6.4
62.67550	0.5
63.06739	0.6
67.05495	7.2
69.03414	4.3
69.07043	0.9
71.04961	1.1
73.02896	4.6
78.38998	0.6
78.49242	0.6
79.05480	4.7
81.03395	3.4
81.07041	7.5
83.08606	1.0
85.02902	6.2
87.57918	0.8
88.09792	0.7
91.03937	3.2
91.05468	3.9
93.07045	3.7
95.04927	1.5
95.08593	2.8
97.02874	6.6
101.02371	2.5
105.07025	2.8
107.08592	2.8
109.02882	0.8
109.10137	1.4
111.08096	0.8
119.08582	3.2
121.10109	1.5
127.01844	0.6
127.03918	1.2
130.80568	0.8
131.08572	0.8
175.11200	1.1
184.07375	1.2
193.12273	2.7
205.29494	0.8
211.13280	3.2
235.41017	0.8
243.08337	4.6
251.12541	4.2
279.08615	0.8
307.15244	0.8
335.25998	0.7
356.77747	0.7
402.24786	0.8
469.20401	13.5
519.29309	6.2
540.32617	0.8
607.55682	0.7
629.61188	0.7
697.40100	0.7
747.42694	100.0
748.42761	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	746.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
55.05502	17.0
57.03435	24.9
60.73653	1.6
61.02900	4.3
62.26184	1.6
65.03929	2.0
66.36305	1.8
67.05147	3.2
67.05492	93.3
69.03400	2.6
69.07058	24.9
71.04971	3.5
71.81027	2.1
77.82122	1.8
79.05048	3.7
79.05470	49.6
81.03376	2.8
81.07039	100.0
83.04966	10.8
83.08594	13.0
85.02889	3.6
85.06520	3.5
91.05463	57.9
93.07022	60.4
95.04939	13.0
95.08584	73.6
97.06500	2.7
105.07006	48.6
107.08576	32.9
109.06507	3.2
109.10139	46.7
111.08044	1.8
117.06970	8.0
119.08582	19.7
121.10143	19.3
123.08043	57.8
123.11653	4.0
131.08563	10.3
133.06447	3.9
133.10115	82.3
135.11670	13.1
137.09610	3.1
143.08543	4.7
145.10112	4.1
147.11606	6.8
149.13225	4.6
151.07524	26.3
151.11150	31.1
159.11667	4.1
161.09579	21.4
161.13237	2.5
163.14790	2.4
168.81250	1.9
169.08597	2.0
169.12189	4.3
173.11752	4.2
173.13234	3.4
179.10649	13.3
183.70749	2.2
184.07336	3.9
197.11664	3.3
215.12770	14.3
222.23596	2.3
225.11276	2.6
227.16402	4.5
243.21053	3.1
253.14299	8.0
261.21994	15.1
271.15393	30.9
289.12753	32.8
289.16367	40.1
335.25763	74.2
513.35413	3.6
531.36407	9.4
549.38208	34.0
746.42572	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	746.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.7
53.03933	4.6
55.01858	3.4
55.05505	9.8
57.03428	14.2
57.07057	2.0
61.02906	0.5
65.03907	0.8
67.05492	36.0
69.03404	2.3
69.07058	12.0
71.04969	3.4
72.55360	0.5
73.06544	0.6
79.05475	27.8
80.85862	0.5
81.03402	100.0
81.07037	36.1
83.04964	3.9
83.08602	4.7
85.02879	1.0
85.06568	0.7
85.64637	0.5
86.09670	2.1
91.05460	30.5
93.07024	33.9
95.04945	4.5
95.08582	27.7
97.02855	2.6
97.06509	4.6
97.10162	1.3
100.33875	0.5
100.80010	0.6
105.07015	12.0
107.04930	1.2
107.08584	13.1
109.06516	0.9
109.10143	11.4
111.08020	0.9
115.05431	0.5
117.07022	6.1
119.08562	26.4
121.06487	6.4
121.10130	10.2
121.42535	0.6
123.04436	1.0
123.08051	4.7
123.11684	3.1
124.99968	0.8
125.09486	0.6
129.06975	2.6
131.08557	7.7
131.18130	0.5
133.06419	0.6
133.10103	8.1
135.08040	4.4
135.11684	6.8
137.09595	17.5
139.11165	0.5
141.06927	0.6
143.07021	2.1
143.08530	2.2
145.04951	0.7
145.10152	5.4
147.07979	6.1
147.11603	4.3
149.08440	0.6
149.09587	1.2
149.13251	3.8
157.10085	0.9
159.08031	0.5
159.11653	4.6
161.09544	1.0
161.13246	2.8
163.07509	0.6
163.14777	0.9
165.09091	12.2
167.10623	0.8
169.10118	0.7
171.11588	0.9
173.13232	2.9
177.09010	0.7
183.10194	0.5
183.11646	1.0
184.07265	3.8
185.13284	0.8
187.14841	1.2
199.09657	2.3
199.14735	1.0
239.12730	35.7
243.21104	1.2
261.22113	5.5
281.13724	0.7
286.13068	0.6
301.24991	0.8
317.24802	0.9
325.82083	0.6
335.25757	23.5
335.29742	0.8
406.66159	0.5
407.24213	1.0
407.29025	3.9
425.30515	4.4
443.31769	1.0
481.33075	1.0
484.37885	0.5
499.34119	26.3
517.35156	28.9
526.02069	0.6
531.36591	1.2
549.37878	2.7
595.35999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
55.05502	17.0
57.03435	24.9
60.73653	1.6
61.02900	4.3
62.26184	1.6
65.03929	2.0
66.36305	1.8
67.05147	3.2
67.05492	93.3
69.03400	2.6
69.07058	24.9
71.04971	3.5
71.81027	2.1
77.82122	1.8
79.05048	3.7
79.05470	49.6
81.03376	2.8
81.07039	100.0
83.04966	10.8
83.08594	13.0
85.02889	3.6
85.06520	3.5
91.05463	57.9
93.07022	60.4
95.04939	13.0
95.08584	73.6
97.06500	2.7
105.07006	48.6
107.08576	32.9
109.06507	3.2
109.10139	46.7
111.08044	1.8
117.06970	8.0
119.08582	19.7
121.10143	19.3
123.08043	57.8
123.11653	4.0
131.08563	10.3
133.06447	3.9
133.10115	82.3
135.11670	13.1
137.09610	3.1
143.08543	4.7
145.10112	4.1
147.11606	6.8
149.13225	4.6
151.07524	26.3
151.11150	31.1
159.11667	4.1
161.09579	21.4
161.13237	2.5
163.14790	2.4
168.81250	1.9
169.08597	2.0
169.12189	4.3
173.11752	4.2
173.13234	3.4
179.10649	13.3
183.70749	2.2
184.07336	3.9
197.11664	3.3
215.12770	14.3
222.23596	2.3
225.11276	2.6
227.16402	4.5
243.21053	3.1
253.14299	8.0
261.21994	15.1
271.15393	30.9
289.12753	32.8
289.16367	40.1
335.25763	74.2
513.35413	3.6
531.36407	9.4
549.38208	34.0
746.42572	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	745.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.3
53.03935	1.0
55.01848	0.3
55.05507	2.4
57.03435	2.9
57.07045	0.3
61.02917	6.6
67.05493	6.4
68.54867	0.3
69.03421	4.7
69.07050	1.5
71.01331	0.3
71.04975	0.5
73.02903	5.2
79.05478	5.7
81.03397	2.7
81.07039	6.3
81.07478	0.4
83.04974	0.4
83.08616	1.3
85.02895	6.2
85.03370	0.4
85.06537	0.3
91.03938	3.6
91.05466	3.0
92.09482	0.5
93.07018	6.1
95.04955	0.5
95.08573	5.6
97.02881	5.5
97.06498	0.4
97.10117	0.4
99.04441	1.1
101.02387	2.0
104.73532	0.3
105.07015	2.4
107.04955	0.4
107.08590	3.1
108.49835	0.3
109.02892	0.4
109.10155	1.9
115.03927	0.3
117.07020	0.6
119.08608	1.9
121.06457	0.3
121.10155	2.6
127.03903	1.9
131.08583	1.1
133.10138	1.0
135.11646	2.5
145.10057	2.1
147.11627	0.4
163.11136	2.0
180.62262	0.3
199.11276	0.3
203.05272	0.4
227.12798	1.7
243.08485	3.5
249.10933	14.0
250.89804	0.3
305.13632	1.3
335.25836	1.1
343.39249	0.3
467.18857	5.7
477.78656	0.4
498.47696	0.3
519.29279	7.6
745.41205	100.0
746.41632	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	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	1.8
55.05511	20.5
57.03422	7.6
57.07059	1.8
59.04992	2.1
60.99154	1.4
61.02910	1.9
63.29307	1.2
65.03893	1.6
67.05495	100.0
68.64262	1.4
69.03421	1.9
69.07053	19.8
71.04974	14.6
75.11813	1.4
77.01095	1.3
77.92992	1.5
79.05478	36.7
80.07630	1.3
81.03388	12.1
81.07043	42.8
82.12395	1.4
82.66805	1.6
83.04961	5.9
83.08607	10.8
85.02870	2.4
85.06508	5.6
91.05472	27.4
93.07028	46.4
95.04932	7.8
95.08591	37.9
97.06501	7.2
97.10172	2.0
99.08061	1.8
105.07037	12.9
107.08574	21.6
109.06545	1.6
109.10146	59.7
111.08070	3.2
111.33432	1.4
117.07005	6.2
119.08556	20.6
120.27914	1.5
121.10124	17.2
123.07973	1.9
129.06961	2.1
131.08553	6.6
133.10098	9.8
135.11702	14.9
137.09593	7.4
145.10094	5.8
147.11662	2.9
149.13281	2.1
159.11601	1.6
161.13210	1.4
163.11093	2.1
173.11678	7.3
173.13109	2.0
175.11186	1.6
211.13272	2.3
219.06215	1.6
225.74077	1.6
285.16907	3.1
287.18390	10.9
335.25687	16.3
337.27121	2.6
489.35660	51.9
503.38516	2.3
515.36945	6.8
529.38989	2.1
547.39972	61.0
674.84204	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01863	0.5
55.05510	2.5
55.65328	0.2
55.81067	0.3
57.03428	2.6
57.07073	0.3
61.02919	5.5
67.05492	7.8
69.03410	3.1
69.07064	2.2
71.01351	0.4
71.04982	0.5
73.02890	4.6
79.05470	5.5
81.03394	2.1
81.07041	6.9
81.48703	0.2
82.07378	0.3
83.04987	1.2
83.08614	1.2
85.02882	5.2
91.03948	3.3
91.05460	2.9
93.07027	7.0
93.07565	0.4
95.04955	1.2
95.08595	6.2
97.02873	4.5
97.06525	0.4
97.10142	0.4
99.04473	0.6
101.02377	1.9
105.07028	1.8
107.08572	3.6
109.02884	0.4
109.10165	1.9
111.04459	0.3
117.07027	1.2
119.08568	1.9
121.06514	0.3
121.10133	3.0
127.03883	1.4
131.08594	0.3
133.10130	0.7
135.11679	4.6
145.10089	2.7
147.11763	0.5
149.13274	0.3
163.11139	5.6
179.33282	0.3
181.12209	0.5
185.04251	0.5
203.05252	0.4
219.09923	0.5
227.12698	4.2
243.08386	3.2
249.10922	10.6
283.15427	0.4
305.13425	2.4
335.25659	0.5
455.65295	0.3
467.18774	10.8
467.25311	0.5
519.29327	6.0
547.38495	0.4
548.39362	0.3
745.41199	100.0
746.41840	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	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38311	2.7
53.03940	5.2
55.01865	4.1
55.05509	25.7
56.11374	3.1
57.03429	22.5
57.07077	5.2
61.02916	5.1
66.21568	3.1
67.05491	76.8
69.03419	7.0
69.07046	24.2
71.04981	4.6
76.56039	4.3
79.05476	83.2
81.03401	8.1
81.07040	79.8
83.04959	25.2
83.08614	13.3
84.48125	3.5
85.02889	8.2
87.04448	5.3
91.04358	3.1
91.05460	49.1
93.07023	100.0
95.04919	12.0
95.08588	48.6
97.02862	3.7
97.10161	3.9
97.24595	3.1
105.07014	28.7
107.04913	3.5
107.08585	40.3
109.06541	3.4
109.10144	20.7
111.08031	3.9
117.07001	6.3
119.08561	19.1
121.10119	92.7
123.08057	6.4
123.11687	5.2
129.16899	3.7
131.08548	39.9
133.10104	13.7
135.08098	3.5
135.11702	17.3
139.11186	5.9
145.10138	7.6
147.11682	7.3
149.09586	26.3
149.13295	5.8
159.11685	5.0
161.13203	3.5
167.10674	21.5
177.09149	4.9
195.10103	4.2
213.11119	5.0
261.22104	7.6
287.14828	79.3
335.25717	86.3
341.21634	4.2
509.58704	3.9
547.36237	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	45.8
55.27652	5.9
57.03428	8.9
57.07067	15.1
58.00508	6.0
60.12722	6.2
67.05495	71.5
69.07056	38.0
79.05474	50.8
80.68450	6.6
81.07040	58.4
83.08608	31.6
91.05474	9.2
93.07024	51.4
95.04935	12.9
95.08588	82.6
97.02898	6.9
105.07044	10.6
107.08569	45.7
109.10141	8.3
119.08546	15.1
120.68907	6.6
121.06453	10.8
121.10088	16.6
124.14791	6.6
125.05955	6.4
135.11688	83.7
145.10124	45.2
150.63354	5.9
163.11154	81.2
180.99063	7.4
181.12186	10.6
227.12750	61.0
248.97293	7.1
283.15289	95.3
285.89252	6.8
339.29007	100.0
357.16254	8.3
359.29428	7.3
529.90851	6.9
547.39581	99.6
554.55872	8.2
629.47614	7.7
711.19379	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93376	1.8
53.00287	2.4
53.03942	2.5
55.05501	42.9
57.03430	29.4
57.07058	4.3
61.02907	8.7
62.76535	1.8
67.05487	100.0
67.05848	3.5
69.03417	8.3
69.07054	27.6
71.04961	9.6
79.05471	47.1
81.03400	62.3
81.07034	89.0
83.04958	19.6
83.08595	38.8
85.02890	30.6
85.04367	2.2
85.06516	3.5
91.03944	2.4
91.05459	53.2
92.09316	7.5
93.07032	40.4
95.04944	23.1
95.08572	51.3
97.06512	4.7
97.10149	13.4
105.07027	30.8
107.04948	4.8
107.08569	20.0
109.06487	4.0
109.10122	26.5
111.08062	12.2
119.08570	27.6
121.10096	20.1
121.97801	2.0
123.11684	10.2
127.03926	2.2
129.06972	11.9
131.08563	17.1
133.10104	30.0
135.11653	4.3
142.07719	3.9
144.36292	2.1
145.10088	3.7
147.11662	16.8
147.93692	1.9
149.09599	9.4
149.13155	1.9
157.10098	19.2
175.11069	14.9
175.14821	3.9
176.53352	2.2
193.12183	36.9
211.13248	40.1
224.29041	2.1
263.23602	2.3
267.15845	13.1
274.85529	2.3
285.16876	52.0
337.27304	45.5
407.31427	4.0
467.37048	2.5
489.35654	2.8
529.38770	14.7
547.39850	96.9
548.39856	3.1
744.44928	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.5
53.03928	2.2
55.01860	1.9
55.05506	18.4
57.03434	12.0
57.07072	2.1
59.04993	2.1
61.02911	6.4
65.03926	3.8
66.09261	0.8
67.05496	100.0
69.03407	2.0
69.07051	18.2
71.04977	25.7
71.08644	1.2
79.05478	38.7
81.03392	8.9
81.07040	51.2
83.04967	5.2
83.08604	10.5
85.02899	6.7
85.06535	1.8
87.72077	1.0
91.05466	26.2
92.08615	1.6
93.07026	46.3
95.04958	6.7
95.08589	34.5
97.02862	1.7
97.06521	7.3
97.10137	1.9
99.08076	1.1
105.07031	13.1
107.08583	22.2
109.06508	1.9
109.10150	63.1
111.08083	4.0
117.07011	6.3
119.08545	23.2
121.10108	17.7
123.08064	1.6
123.11710	2.0
125.18528	0.9
129.06969	1.7
131.08554	8.5
133.10089	8.8
135.11658	16.8
137.09586	10.7
143.08540	1.5
145.10109	8.2
147.11662	7.3
148.48611	1.0
149.13235	2.1
155.10693	1.4
157.10074	2.3
159.11700	4.9
161.13248	1.6
163.11183	1.8
163.14789	1.2
173.11714	8.0
173.13249	4.1
175.11177	1.2
175.14807	1.4
184.30675	1.1
184.33890	0.9
187.14839	1.1
193.12273	3.7
211.13255	3.8
243.15848	1.1
255.16005	1.8
261.22144	2.3
267.15884	4.5
285.16983	10.2
287.18469	15.1
335.25754	16.4
337.27289	5.6
397.31210	1.2
471.34418	3.9
489.35675	73.9
503.37360	3.8
515.37299	14.3
547.39893	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	2.3
55.01861	12.3
55.05508	31.5
55.58437	1.6
55.69712	1.5
57.03430	17.3
57.07059	1.5
59.04993	4.5
61.02919	21.5
62.06418	1.8
65.03915	2.3
67.05144	3.7
67.05495	100.0
67.05850	4.2
69.03405	7.1
69.07060	32.8
71.04974	7.8
73.02887	7.4
75.88076	1.5
76.43684	1.8
76.56062	2.0
79.05475	50.8
81.03398	13.6
81.07042	94.3
81.11176	1.8
83.04969	11.5
83.08612	30.7
85.02891	22.1
85.06532	3.4
91.03922	17.8
91.05453	42.1
93.06412	2.7
93.07017	67.0
95.04939	12.7
95.08584	32.7
97.02874	13.2
97.06507	18.6
97.10147	15.8
99.04426	3.6
103.03982	2.3
105.07018	35.2
107.04937	12.8
107.08572	48.5
107.09281	1.9
109.02868	4.3
109.06509	17.1
109.10142	89.5
111.04436	2.1
111.08068	7.2
115.05473	2.3
117.06991	15.6
119.08560	36.1
121.06490	8.6
121.10116	15.5
123.08046	8.2
123.11656	3.3
125.09602	9.8
127.03863	4.3
129.06938	3.4
131.08534	23.3
133.06544	2.6
133.10120	39.7
135.08078	6.8
135.11656	17.4
137.05948	9.2
137.09550	6.9
143.08551	3.5
145.02835	3.7
145.04942	4.4
145.10071	19.0
147.11630	16.0
148.24118	2.0
149.09602	10.8
149.13257	19.0
151.11137	3.7
155.10628	4.2
157.10048	3.2
159.11671	26.9
161.13197	7.2
163.06029	3.3
163.11081	7.8
165.12785	2.7
171.11595	3.0
173.11703	36.8
173.13193	7.3
175.14743	3.0
177.05429	2.5
177.12685	16.0
179.14301	3.9
183.11728	2.4
195.13777	4.2
202.87114	2.0
229.14325	85.9
247.15289	2.6
251.16335	2.9
257.18915	10.0
269.17426	80.6
275.19995	31.1
293.21130	2.4
349.23682	91.5
367.24759	70.4
391.19492	8.6
413.21719	6.3
431.22672	3.8
493.27783	2.4
511.28906	8.4
529.29889	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	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38311	2.7
53.03940	5.2
55.01865	4.1
55.05509	25.7
56.11374	3.1
57.03429	22.5
57.07077	5.2
61.02916	5.1
66.21568	3.1
67.05491	76.8
69.03419	7.0
69.07046	24.2
71.04981	4.6
76.56039	4.3
79.05476	83.2
81.03401	8.1
81.07040	79.8
83.04959	25.2
83.08614	13.3
84.48125	3.5
85.02889	8.2
87.04448	5.3
91.04358	3.1
91.05460	49.1
93.07023	100.0
95.04919	12.0
95.08588	48.6
97.02862	3.7
97.10161	3.9
97.24595	3.1
105.07014	28.7
107.04913	3.5
107.08585	40.3
109.06541	3.4
109.10144	20.7
111.08031	3.9
117.07001	6.3
119.08561	19.1
121.10119	92.7
123.08057	6.4
123.11687	5.2
129.16899	3.7
131.08548	39.9
133.10104	13.7
135.08098	3.5
135.11702	17.3
139.11186	5.9
145.10138	7.6
147.11682	7.3
149.09586	26.3
149.13295	5.8
159.11685	5.0
161.13203	3.5
167.10674	21.5
177.09149	4.9
195.10103	4.2
213.11119	5.0
261.22104	7.6
287.14828	79.3
335.25717	86.3
341.21634	4.2
509.58704	3.9
547.36237	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	743.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92479	0.6
58.62550	0.6
71.50710	0.7
75.09187	0.8
75.35445	0.7
76.45538	0.7
83.83579	0.7
98.14495	0.7
126.10752	0.7
144.88655	0.8
219.80374	0.8
289.94757	0.9
311.91986	0.8
367.60779	0.9
383.13065	100.0
384.13544	1.4
504.62613	0.8
518.03656	0.8
767.64429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24441	0.9
53.03928	1.0
54.61287	0.8
54.77299	1.0
55.05496	4.2
57.03428	1.6
57.07061	1.2
61.02911	7.7
67.05499	10.5
69.03424	4.3
69.07056	1.9
73.02907	2.2
79.05471	9.2
81.03411	1.9
81.07025	10.6
83.08627	1.1
83.31084	1.1
85.02893	6.6
91.03926	2.6
91.05470	5.7
93.07020	11.2
95.04974	2.0
95.08590	6.7
97.02879	6.8
101.02381	1.6
105.07022	5.2
107.08578	6.3
109.02876	1.4
109.10152	2.0
119.08575	4.9
120.09029	1.1
121.10145	4.3
125.00982	1.2
127.03908	1.4
129.05592	1.0
131.08533	1.7
133.10109	2.1
135.11691	1.8
147.11690	1.7
247.13065	1.5
465.20935	5.8
519.29333	8.7
743.43292	100.0
744.42944	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
53.43866	0.4
54.81599	0.5
55.01863	2.9
55.45268	0.4
63.09378	0.5
66.53590	0.5
67.05484	2.2
69.03411	1.1
77.91494	0.5
81.07076	0.5
81.31014	0.4
82.03032	0.5
91.05450	6.0
92.09324	0.9
93.05772	0.9
93.07025	5.6
93.16784	0.4
94.06554	1.1
95.04942	2.2
96.04460	1.0
97.02880	0.7
98.05983	0.6
107.82454	0.5
108.08110	10.8
109.06448	0.7
110.06018	3.2
113.05988	0.8
118.06577	0.5
119.04919	7.2
121.02852	0.9
121.06477	3.9
122.05999	8.4
123.05594	0.9
123.06680	0.6
124.07616	0.6
134.98605	0.5
136.07561	21.6
138.09131	2.0
140.07066	0.9
146.05971	1.0
147.04355	6.0
149.07068	1.9
150.05380	0.6
154.08604	10.5
162.09184	0.9
163.08665	0.9
164.07037	100.0
165.07397	0.8
175.04950	0.9
176.07111	0.6
177.06573	4.0
180.10141	0.8
186.67580	0.5
188.07027	0.7
190.08594	2.2
191.08089	2.1
192.10139	1.1
200.07072	1.1
201.06679	0.7
202.08656	1.9
203.08105	6.0
204.06551	4.1
208.09674	0.8
213.10088	0.6
217.09615	4.5
218.08119	0.9
220.09808	0.6
228.06503	1.0
229.05956	3.9
230.08098	0.9
233.09050	0.5
234.09760	0.6
235.10712	2.2
241.09709	0.6
243.07657	0.6
243.11156	1.0
244.09657	1.0
245.09132	8.0
246.07523	1.0
246.13387	0.7
247.10741	1.1
248.09210	1.0
257.12894	2.3
258.11197	4.7
259.10760	0.8
261.08688	4.4
263.10190	7.5
271.07242	1.8
274.13162	0.9
275.13892	5.3
285.09229	0.9
285.12140	5.3
287.10239	6.0
289.08228	1.0
289.11636	1.1
290.46942	0.6
298.46341	0.6
301.11783	9.5
302.14886	3.5
305.11215	13.8
307.12888	2.6
313.08011	0.7
315.09747	0.9
330.14410	12.8
351.16797	0.7
355.16321	0.8
366.18030	1.1
379.16263	2.1
380.15686	0.9
381.17950	0.5
397.17453	6.2
400.18811	0.7
407.16107	1.2
414.20258	1.2
420.19199	2.3
422.16870	1.1
424.18427	4.2
425.17041	10.3
438.20013	1.2
442.19586	12.8
443.18008	0.7
450.16638	0.8
460.20627	5.2
468.17728	7.5
605.26013	9.5
623.16705	0.9
623.27008	26.5
726.27728	3.3
744.28900	22.6
745.28302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.4
53.03938	3.7
54.81968	0.5
55.01870	4.8
55.05504	33.9
55.07689	0.6
57.03428	25.3
57.07051	2.7
59.04983	0.6
61.02910	8.5
65.03921	2.4
67.05491	82.2
69.03419	5.5
69.07053	20.3
71.04977	5.4
73.02902	1.5
76.07373	0.6
79.05473	60.8
81.03398	57.6
81.07036	78.1
83.04520	0.9
83.04970	19.5
83.08603	25.1
85.02886	32.1
85.06532	3.4
87.88338	0.6
91.03924	1.3
91.05460	52.8
93.07023	64.4
95.04945	29.5
95.08581	51.5
97.02850	5.8
97.06501	6.0
97.10145	5.0
99.04416	0.7
99.08064	1.1
105.04524	1.1
105.07010	38.9
107.04935	9.1
107.08572	30.6
109.06506	6.7
109.10143	18.0
110.58382	0.6
111.04429	1.0
111.08051	9.0
113.05983	3.1
114.52483	0.6
115.05423	0.8
117.06989	7.2
119.08556	29.8
119.46985	0.6
121.06481	0.8
121.10122	25.9
123.08035	5.0
123.11665	5.4
125.09618	3.0
127.07582	0.7
128.06119	0.8
129.06982	13.9
130.17577	0.6
131.08533	22.5
133.06479	3.0
133.10095	20.0
133.11026	1.0
135.08095	0.7
135.11664	10.8
137.09584	1.5
142.07773	3.7
145.06699	0.5
145.10072	8.3
147.08028	3.1
147.11653	22.2
149.09570	8.3
149.13217	5.1
149.83403	0.6
151.11049	0.8
155.08521	0.6
157.10091	13.8
159.11664	4.3
161.13246	3.3
163.14818	1.0
165.12747	3.2
173.13258	3.6
175.11154	14.9
175.14804	1.2
185.13292	0.7
187.14748	0.9
187.75114	0.6
191.35823	0.6
193.12193	32.1
194.12715	0.9
211.13255	33.3
212.24579	0.6
243.21085	1.4
261.22131	8.0
267.15854	12.8
285.16898	41.7
286.17099	0.7
308.28955	0.7
317.24664	1.3
324.26074	0.6
335.25732	76.6
336.26184	1.0
403.79517	0.8
408.80402	0.8
417.31934	0.7
435.32471	1.3
453.33456	1.3
527.37238	13.7
545.38257	100.0
546.38464	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01861	3.3
55.05502	21.6
56.20861	0.6
57.03427	16.4
57.07097	0.6
59.04974	0.8
61.02907	3.4
65.03922	1.7
67.05491	41.7
67.05850	1.4
69.03414	4.3
69.07053	14.9
69.20875	0.6
71.04970	3.9
79.05471	35.7
81.03395	55.9
81.07038	45.4
83.04961	13.7
83.08599	21.8
85.02887	23.4
85.06552	1.0
87.33645	0.7
91.05455	27.3
92.08671	2.4
93.07019	35.2
95.04941	22.4
95.08582	31.2
95.09200	1.0
97.02871	3.6
97.06496	4.5
97.10120	5.5
99.08064	0.9
105.07005	21.4
107.04939	5.1
107.08576	19.4
109.06492	4.4
109.10149	10.7
111.04422	1.4
111.08053	9.0
113.06018	0.9
117.06998	3.5
119.08559	20.6
119.74636	0.7
121.06506	1.1
121.10111	19.0
123.08036	3.1
123.11682	3.8
125.09602	1.4
129.06987	9.8
131.08540	13.6
133.06459	3.0
133.10109	11.8
135.07994	0.8
135.11639	7.7
137.09601	2.8
142.07791	1.3
145.10121	4.1
147.08000	2.7
147.11658	14.4
149.09630	5.9
149.13260	2.6
157.10098	12.6
159.11693	3.7
161.13286	1.4
165.12740	2.8
173.13240	1.2
175.11165	11.4
180.87529	0.7
184.03552	0.7
187.14766	1.2
193.12196	34.0
211.13251	39.3
214.88332	0.8
227.12749	0.8
243.21086	1.1
261.22153	2.9
267.15903	7.1
283.90033	0.9
285.16891	37.1
335.25711	37.4
435.38461	0.8
453.15390	0.9
453.33514	0.9
527.37500	7.1
545.38251	100.0
546.38464	3.3
563.39478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87375	1.3
53.00301	1.4
55.01863	5.8
55.05510	27.4
57.03196	1.5
57.03431	18.2
57.07063	5.9
61.02918	2.7
65.03924	2.0
67.05494	72.4
69.03402	2.9
69.07053	29.0
71.04945	5.5
71.08613	1.5
79.05476	51.3
79.87082	1.4
80.84960	1.4
81.03382	2.7
81.07040	81.1
83.04969	3.6
83.08606	23.7
85.02881	5.8
85.06522	3.2
91.05461	24.1
91.79217	1.3
93.07024	63.2
95.04939	13.7
95.08585	89.5
97.02860	6.8
97.06504	6.0
97.10146	7.0
99.04433	2.3
99.08106	2.0
105.07008	19.7
107.04958	11.8
107.08578	42.8
109.06479	3.5
109.10146	21.2
111.04427	2.0
111.08070	3.1
117.07001	12.3
119.08566	20.3
121.06494	6.4
121.10126	24.2
123.11686	6.4
123.90316	1.7
125.05932	2.2
129.06972	2.5
131.08533	7.7
133.10104	11.7
135.08047	2.5
135.11676	55.5
139.07544	1.7
145.10110	37.6
147.11702	6.1
149.13274	3.2
163.11143	62.1
163.12492	2.3
181.12225	8.7
227.10483	2.3
227.12737	61.3
238.54388	1.5
261.22070	2.6
263.23639	2.0
267.15695	2.2
271.26053	1.5
283.15350	66.4
285.16943	12.9
335.25848	19.4
337.23212	2.5
337.27289	72.5
338.27618	1.7
361.43420	1.6
545.38257	100.0
545.46613	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83163	1.1
53.03936	6.0
55.01859	5.6
55.05505	29.0
57.03428	29.6
57.07061	2.0
61.02909	7.3
63.81913	1.1
65.03925	1.9
66.04676	1.2
67.05493	74.1
67.05851	3.0
69.03417	8.8
69.07059	18.7
71.04957	6.2
79.05474	65.5
79.32323	1.2
81.03398	72.6
81.07036	77.5
83.04973	19.6
83.08604	31.1
85.02889	40.7
85.06542	2.6
91.03938	1.9
91.05463	52.7
93.07026	60.3
95.04949	32.4
95.08583	41.8
97.02873	5.4
97.06505	7.2
97.10162	6.0
99.08059	1.4
103.75320	1.2
105.07013	41.5
107.04940	8.6
107.08575	28.0
109.06499	9.0
109.10152	16.7
111.04391	1.4
111.08080	13.5
112.52583	1.4
113.05957	2.9
117.07008	6.4
119.08559	28.6
121.10117	24.0
123.08014	4.5
123.11642	4.8
129.06989	16.3
131.08546	23.9
133.06477	1.7
133.10123	20.2
135.11667	10.3
137.09608	2.0
139.01384	1.3
142.07715	1.6
145.10110	6.7
147.11667	23.3
149.09592	7.8
149.13263	2.1
157.10088	15.1
159.11665	4.3
161.13263	2.9
163.14813	2.4
165.12686	3.0
173.13197	4.5
175.11143	17.9
193.12189	40.2
211.13264	54.9
211.15311	1.9
261.22095	7.6
262.55191	1.4
267.15836	12.5
285.16898	66.7
317.24841	1.6
335.25751	65.8
383.57928	1.5
435.32242	2.8
527.37299	14.0
545.38300	100.0
546.38928	2.2
571.44275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.5
53.03938	2.2
54.81676	1.1
55.01864	16.3
55.05502	26.6
57.03428	31.9
57.07058	1.7
59.04986	1.6
61.02916	26.6
65.03926	2.0
66.36725	1.1
67.05492	96.2
69.03414	11.6
69.07056	62.5
71.04978	9.1
73.02902	9.6
75.63943	1.1
79.00065	1.2
79.05479	49.8
81.03407	22.4
81.07039	70.2
82.92248	1.2
83.04961	10.6
83.08604	17.4
85.02892	29.1
85.06522	3.3
85.60799	1.2
87.04480	1.3
91.03937	14.6
91.05463	53.1
93.07020	53.4
95.04961	14.4
95.08586	49.9
96.59620	1.5
97.02879	16.1
97.06507	21.0
97.10152	10.4
99.04420	1.7
103.03924	3.1
103.05417	2.3
105.07014	38.1
107.04935	15.4
107.08569	28.0
109.02886	2.5
109.06512	7.3
109.10143	48.5
111.04397	1.4
111.08058	6.1
117.07018	17.1
119.08559	37.9
121.06480	7.8
121.10139	12.9
123.08051	8.3
123.11667	4.7
125.09622	10.1
127.03896	5.2
129.05463	5.0
129.06970	9.4
129.54814	1.3
131.08553	22.0
133.06491	2.4
133.10103	26.5
133.68724	1.3
135.08066	6.0
135.11664	14.4
137.06047	1.2
137.09605	10.2
143.06987	2.4
143.08568	2.7
145.04996	5.3
145.06390	1.5
145.10110	21.2
147.08064	2.9
147.11664	16.5
149.09596	18.3
149.13240	3.0
151.11160	5.4
155.08563	2.9
157.10123	7.5
159.07993	1.5
159.11667	18.5
161.13229	9.1
163.06044	3.0
163.11134	12.2
165.09142	1.6
167.10735	1.3
169.10036	2.2
171.10135	7.8
171.11670	5.2
173.11710	10.7
173.13240	9.5
175.11185	2.2
177.12744	5.3
179.14262	2.6
187.11221	2.4
187.13185	1.7
189.11264	2.0
191.14229	1.5
193.12344	2.8
197.13196	1.5
227.12683	2.1
229.14340	43.9
229.19429	1.7
239.17972	1.9
243.15898	6.2
247.20572	2.5
253.18088	3.1
255.15799	2.7
257.19019	7.2
267.15994	2.7
269.17252	6.1
271.15469	1.8
273.18347	2.3
275.20001	35.8
282.16983	1.5
291.19482	5.3
349.23666	100.0
365.22986	5.3
367.24524	14.4
383.23953	3.2
430.03040	1.4
447.22464	1.4
477.27805	2.0
511.28336	1.5
542.74005	1.5
728.85217	1.4
771.89429	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01864	8.0
55.05505	21.2
57.03429	10.2
57.07058	0.6
59.04979	0.9
60.74435	0.4
61.02912	9.5
65.03944	0.5
67.05492	29.2
69.03137	0.4
69.03421	6.4
69.06720	0.8
69.07056	17.2
71.04967	3.6
71.72758	0.4
73.02914	4.4
79.05472	27.5
81.03398	11.2
81.07037	48.8
83.04965	10.8
83.08599	15.7
85.02415	0.8
85.02890	13.3
85.06522	1.8
91.03934	5.8
91.05458	16.5
92.09222	0.6
93.07019	26.9
93.76631	0.5
95.04944	11.8
95.08585	16.1
96.99241	0.5
97.02865	7.5
97.06510	8.7
97.10143	22.0
99.04435	2.7
99.08071	2.2
101.02354	0.6
103.05443	0.7
105.07005	16.6
107.04941	7.6
107.08576	18.6
109.02859	1.0
109.06491	6.9
109.10133	10.0
111.04426	10.9
111.08064	6.7
115.03909	0.6
115.05428	1.0
115.07523	0.7
116.06254	0.6
117.06986	9.7
119.04899	1.1
119.08562	16.2
121.06468	7.8
121.10118	9.8
123.04356	0.8
123.08034	19.4
123.11700	1.7
125.09606	19.6
127.03894	3.5
128.06213	0.6
129.05475	0.8
129.06969	5.9
131.04865	0.6
131.08531	9.4
133.06468	2.6
133.10098	10.2
135.04353	0.5
135.08032	8.7
135.11659	7.4
137.05939	2.4
137.09592	7.1
139.11108	1.8
142.07799	0.5
143.08528	5.1
143.10634	0.7
144.09340	0.5
145.04932	1.9
145.06415	1.0
145.10117	10.8
147.04419	0.7
147.08032	8.9
147.11661	5.6
149.09604	6.1
149.13261	1.0
151.07545	0.7
151.11041	0.6
153.09109	2.8
153.12750	4.5
155.08525	1.0
157.10069	5.9
159.08035	0.9
159.11647	4.7
161.05928	0.6
161.09552	5.5
161.13211	1.0
163.06049	0.7
163.11150	14.4
165.09039	4.1
165.12737	0.6
167.08569	0.6
169.10098	1.1
171.10219	1.3
171.11676	3.7
173.09590	2.8
175.11104	3.8
175.14731	0.6
177.12677	1.8
179.10719	0.5
181.10118	0.6
181.12224	5.9
185.09604	0.8
185.13206	1.0
189.11180	13.3
189.12669	1.6
189.29962	0.5
191.10594	4.2
193.12207	5.4
209.11705	0.5
211.13330	0.9
213.12665	0.5
213.16504	0.7
217.15883	0.6
220.78343	0.5
223.13306	2.4
227.12683	5.7
227.17842	0.8
233.15312	0.7
245.13834	0.9
245.18987	2.8
249.14735	0.9
255.17441	2.1
263.20074	1.9
269.17447	2.7
273.18417	19.5
283.15274	1.1
291.19492	32.3
297.17120	0.5
309.20529	5.0
325.20184	0.7
347.22141	4.8
365.23141	43.5
383.24203	100.0
384.24493	2.1
435.23938	0.7
491.26352	1.9
509.27267	2.3
527.28510	1.0
545.29541	6.6
700.77234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2232
Annotation	Vitexin 7-O-rutinoside
Peak:m/z	Relative Intensity
53.03930	0.4
55.01884	0.4
57.03422	2.3
58.00980	0.4
61.02911	1.0
61.74753	0.4
65.66022	0.4
69.03408	3.2
71.04964	2.7
73.02876	0.6
76.44333	0.4
81.03385	3.3
85.02892	12.5
97.02866	3.5
103.03899	0.7
109.02879	2.1
119.04918	1.8
121.02848	7.6
124.68471	0.4
127.03906	2.1
131.04884	0.5
137.05988	2.9
138.06273	0.9
139.52296	0.5
145.02829	0.9
163.03873	0.7
163.07483	0.5
165.01833	0.6
174.01747	0.4
183.02766	0.7
186.69324	0.5
195.02892	0.9
206.73541	0.5
211.07356	0.6
217.04916	2.1
227.06976	0.7
241.04932	0.5
243.06529	2.1
246.14890	0.7
255.06583	0.9
256.07285	2.6
261.03656	0.5
270.05481	0.6
271.05933	4.8
283.05945	31.0
284.06720	25.8
285.07498	2.2
290.07352	0.4
295.05933	10.9
297.07465	3.9
307.06064	0.9
308.06778	0.9
309.07651	4.5
311.05487	1.1
313.07010	100.0
314.07117	0.8
323.05688	0.9
323.09045	6.2
325.07031	2.7
337.07001	15.6
343.08121	2.4
349.07111	0.6
351.08383	3.6
367.08109	5.8
369.09509	0.5
379.08081	4.6
397.09106	13.8
411.58353	0.5
415.05020	0.8
415.10184	15.2
433.11237	18.9
437.15460	0.5
454.19336	0.5
459.12769	7.2
508.69537	0.5
579.16949	13.0
595.16541	7.6
741.21948	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	741.223
Annotation	Vitexin 7-O-rutinoside
Peak:m/z	Relative Intensity
53.03925	0.3
55.01838	0.4
57.03411	1.2
58.28397	0.2
60.86698	0.3
61.02899	0.8
63.33028	0.3
66.09328	0.3
69.03410	4.0
71.04961	3.0
73.02885	0.5
79.01834	0.3
81.03384	1.8
83.01302	0.3
85.02888	10.1
92.08673	0.3
97.02854	2.1
99.04446	0.4
100.23904	0.3
103.03948	0.4
109.02820	0.6
119.04957	0.5
121.02824	8.6
127.03866	0.6
132.98532	0.4
134.70563	0.3
153.01859	0.5
163.03903	0.4
165.01732	1.6
168.09688	0.3
171.02896	0.4
177.01778	0.3
183.02898	0.6
195.02844	2.0
213.05441	0.7
217.04913	2.8
243.02841	0.5
243.06480	1.5
255.06499	1.6
256.07275	3.1
259.06042	0.7
261.03909	1.9
267.06430	1.3
270.05167	0.4
271.05933	7.2
283.05942	36.1
284.06723	25.2
285.07458	1.7
295.05933	14.1
297.07483	6.9
307.05890	1.5
308.06732	1.5
309.07480	4.3
311.05380	1.7
313.06985	100.0
314.07507	0.6
321.07553	0.6
323.05374	1.2
323.09003	8.4
325.07022	3.3
337.06982	17.6
343.08112	4.5
349.07077	1.3
351.08447	3.7
355.07965	1.9
367.08109	7.0
367.83920	0.4
379.07993	6.0
397.09094	16.2
415.10144	16.6
433.11206	21.6
434.11337	0.5
459.12762	5.3
579.16986	9.4
580.16754	0.5
595.07391	0.6
595.16467	14.3
596.16376	0.5
741.22113	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	741.223
Annotation	Vitexin 7-O-rutinoside
Peak:m/z	Relative Intensity
55.20938	0.6
56.98566	0.6
57.03421	1.7
59.22089	0.6
59.70792	0.7
62.55261	0.6
65.20121	0.8
69.03407	1.9
71.04970	5.0
81.03388	1.5
85.02905	8.7
85.64064	0.7
97.02882	1.0
109.02890	1.1
117.50080	0.7
119.04818	0.8
121.02859	10.9
127.03923	0.9
134.91286	0.7
145.02811	1.0
165.01799	1.3
171.02892	1.0
179.38773	0.7
183.02863	1.1
187.03880	1.1
194.09782	0.7
198.78229	0.7
205.04959	0.8
207.02879	0.7
213.05365	1.0
217.04996	3.7
229.67638	0.8
243.02795	1.4
243.06537	3.1
255.06711	0.9
256.07251	3.9
259.05963	3.0
261.03940	3.6
271.05942	14.9
283.05948	77.4
284.06717	30.5
285.07452	1.8
295.05920	18.9
297.07495	16.0
299.05472	1.1
307.06079	0.8
308.06766	3.1
309.07483	4.7
311.05533	3.3
313.07001	100.0
314.07303	1.7
323.05597	1.7
323.09058	14.5
325.06998	6.2
337.07004	21.0
343.08139	7.2
349.07040	1.3
351.08636	7.0
355.08060	1.2
361.07077	0.8
367.08029	15.4
379.08014	14.2
383.31204	0.8
397.09106	29.7
402.62875	0.9
415.10107	23.2
417.11490	1.5
433.11206	23.4
447.34915	0.9
504.67444	1.0
579.17218	9.3
595.16449	45.6
741.10260	1.2
741.22296	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.8
53.03940	3.4
55.01868	6.7
55.05504	24.0
55.05759	1.2
57.03170	1.1
57.03429	17.0
57.07068	2.6
61.02915	2.4
65.03933	2.6
67.05493	60.8
69.03419	2.5
69.06763	0.5
69.07053	20.4
71.04969	4.8
73.02887	2.2
79.05474	64.7
80.56084	0.5
81.03403	2.3
81.07038	69.2
82.84785	0.6
82.85307	0.5
83.04964	5.2
83.08607	19.1
85.02895	2.6
85.06528	1.3
91.05458	23.7
93.07024	89.1
95.04945	13.8
95.08585	85.6
97.02877	7.4
97.06510	6.6
97.10156	3.5
99.04434	7.8
103.05436	0.9
105.07017	19.4
107.04940	13.4
107.08575	59.0
109.06499	5.4
109.10143	16.7
111.04449	2.2
111.08084	3.4
117.06990	17.2
119.08561	23.2
121.06490	10.8
121.10115	32.0
123.08055	0.9
123.11710	3.6
125.05978	5.2
125.09608	0.7
128.82516	0.6
129.07011	0.9
130.07764	4.2
131.08546	6.2
133.10101	10.5
135.08055	4.0
135.11670	80.3
137.09647	0.7
137.13260	1.2
139.07544	2.6
139.39233	0.6
143.08585	1.1
145.10101	46.1
147.11682	3.5
149.09732	0.7
149.13261	4.4
153.12700	0.9
155.03545	0.5
155.08551	0.7
159.11659	3.0
161.13249	1.3
163.11150	92.9
163.14778	2.6
173.09601	1.4
173.13254	2.8
175.14827	0.7
181.12204	13.8
187.14854	0.6
189.05324	0.6
209.11798	1.2
211.26401	0.6
227.12746	91.7
243.21048	1.2
243.88356	0.6
261.22153	6.4
267.96375	0.6
283.15356	97.9
317.24750	1.2
335.25735	94.3
470.38104	0.8
543.36719	100.0
544.37372	1.4
561.37219	0.8
740.42084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.8
53.03931	2.8
55.01870	4.1
55.05507	21.6
57.03177	1.0
57.03430	14.8
57.07058	2.0
61.02906	2.0
63.24538	0.4
65.03917	1.9
66.57233	0.4
67.05493	59.5
69.03405	1.2
69.07055	19.3
71.04975	3.0
72.56299	0.4
73.02878	1.8
79.05476	54.2
79.31956	0.4
80.05817	0.6
81.03412	3.5
81.07040	61.2
83.04967	4.7
83.08604	12.7
85.02881	1.0
85.06503	1.1
91.05461	23.1
91.57619	0.5
92.08662	1.1
93.07024	74.7
95.04949	10.5
95.08584	71.3
97.02892	4.9
97.06523	5.2
97.10131	2.6
99.04446	3.6
105.07008	18.5
107.04941	8.6
107.08578	47.2
109.06494	4.1
109.10137	15.1
109.58751	0.5
111.04443	0.7
111.08075	2.4
113.05975	1.1
117.07001	13.4
119.08562	17.7
121.06485	6.6
121.10119	25.5
123.08063	1.0
123.11701	3.6
125.05965	3.4
130.07829	0.7
131.08546	6.7
133.10121	9.6
135.08060	2.5
135.11674	64.9
139.07535	2.2
143.08618	0.5
145.08971	1.1
145.10120	32.8
147.11670	3.6
149.13254	3.1
153.12773	0.9
159.11684	3.7
161.13206	2.2
163.11154	61.8
163.14799	2.0
173.09656	0.9
173.13266	2.3
181.12216	9.0
184.07553	0.6
187.14771	0.9
227.12744	52.5
243.21037	0.9
261.22134	7.5
283.15366	45.2
317.24515	0.8
322.09448	0.5
335.25748	100.0
543.36719	92.5
543.43311	1.3
544.36682	0.7
716.95172	0.6
740.43439	0.6
764.77905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93678	1.1
53.00299	1.2
53.03930	5.4
54.81078	1.0
55.01858	5.1
55.05265	1.6
55.05508	25.9
57.03432	12.4
57.07058	2.1
65.03931	2.1
67.05496	75.5
69.07060	18.6
71.04974	2.4
72.99815	1.1
73.06523	1.1
74.38444	0.9
76.55225	0.9
79.05476	82.2
81.03391	7.0
81.07042	67.2
82.07372	1.1
83.04983	12.9
83.08598	8.2
85.06507	3.9
91.05467	55.3
93.07030	83.6
95.04398	1.5
95.04954	22.5
95.08590	45.4
97.06480	2.1
97.10172	2.5
105.04488	1.9
105.07016	38.9
107.04936	6.3
107.08591	25.9
109.06516	6.0
109.10149	13.7
117.06996	10.4
119.08564	25.5
121.10121	16.7
123.08047	2.4
123.11683	2.5
128.06216	1.2
129.06990	12.1
131.08546	8.2
133.10104	12.4
135.11682	6.4
143.08531	9.3
145.10074	9.6
147.08038	1.5
147.11676	26.0
149.13268	1.4
159.11636	2.1
161.09579	1.5
161.13266	10.8
169.10155	1.1
171.11627	14.6
173.13237	1.7
189.12746	4.6
200.25456	1.1
207.13805	12.9
261.22205	2.4
279.15750	1.8
281.17419	44.6
284.74173	1.2
335.25790	37.6
541.38800	100.0
559.39740	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.81551	2.0
54.81795	2.0
55.01852	13.5
55.05507	41.3
57.03429	27.0
57.07069	3.9
59.04984	2.3
61.02900	13.8
67.05497	71.5
69.07060	18.0
71.04983	4.3
77.59061	2.0
79.05476	62.4
81.03393	21.3
81.07039	69.3
83.01342	13.0
83.04951	16.2
83.08605	24.4
85.02889	11.8
90.01488	2.1
91.03947	2.0
91.05466	38.2
93.07031	70.3
95.04940	13.3
95.08590	50.1
97.02880	3.6
97.06526	4.2
97.10171	4.0
99.04423	3.3
99.08044	3.2
105.07014	38.2
107.04929	14.6
107.08580	38.0
109.06500	12.4
109.10140	18.0
111.08094	3.5
113.42443	2.1
117.06998	15.0
117.52883	2.2
119.08580	28.9
121.06462	3.2
121.10132	26.7
123.08028	12.2
123.11693	3.8
124.99976	2.9
125.05962	2.7
125.09612	4.3
131.08543	14.4
133.10106	14.8
135.08076	4.8
135.11693	23.4
145.10112	23.1
147.11699	3.2
149.13248	4.3
161.13188	4.4
163.11156	30.8
173.09550	2.6
181.12210	3.0
184.07301	5.0
185.07436	2.2
209.11771	3.9
227.12720	9.6
242.43848	2.4
243.21033	2.1
244.96056	2.2
247.16821	2.2
261.22092	13.7
267.15982	2.3
283.15356	100.0
335.25793	58.7
337.90067	2.5
347.21338	2.3
457.71014	2.1
525.36328	2.6
543.36688	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47714	0.3
54.81470	0.3
57.03434	0.4
57.25342	0.3
57.60485	0.3
60.63793	0.3
69.03410	0.8
72.43240	0.3
73.02939	0.4
73.22998	0.3
73.52493	0.3
76.21595	0.3
81.03396	0.7
82.30231	0.3
85.02879	4.4
91.66150	0.3
92.09422	0.8
97.02883	0.7
103.05384	0.5
112.99280	0.4
122.03634	1.3
127.03899	0.6
131.04854	1.7
136.99417	0.4
137.05954	100.0
138.06284	2.1
145.04927	0.5
151.07475	1.3
163.07539	2.5
181.08542	12.3
198.99913	0.4
204.36847	0.4
277.10657	0.4
361.14728	0.9
361.43246	0.5
383.13120	0.6
446.58627	0.4
688.95276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.7
61.02895	0.4
67.03371	0.4
69.03404	1.0
81.03389	0.9
83.22346	0.4
85.02888	6.4
92.33151	0.4
97.02837	0.9
100.54488	0.4
103.05502	0.4
109.02863	0.5
122.03609	0.8
127.03897	0.7
131.04912	1.6
137.05960	100.0
138.06390	1.4
145.04944	0.7
163.07516	1.7
172.75722	0.4
179.06892	0.5
181.08574	16.9
226.40135	0.4
235.53552	0.5
270.23273	0.5
310.00781	0.4
310.56638	0.4
325.12515	0.5
361.15018	0.5
508.74704	0.4
731.54230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.05494	0.1
57.03415	0.2
65.03928	0.2
65.37395	0.1
67.05485	0.2
67.40942	0.1
69.03414	0.9
70.06564	0.1
77.38562	0.1
79.05470	0.6
81.03384	0.3
81.07018	0.2
83.04935	0.2
83.94806	0.1
85.02878	1.2
89.03899	0.1
91.05459	3.7
93.07020	0.2
94.04166	1.0
95.04942	0.7
97.02856	0.6
97.62604	0.1
99.04415	0.3
103.05443	1.9
105.03368	0.2
105.07010	2.0
107.04934	0.8
109.02852	0.2
109.06478	0.6
114.00890	0.2
115.05424	0.9
117.03362	0.2
117.06979	0.7
119.04921	4.7
119.08519	0.2
121.06493	1.4
122.03627	3.3
122.04453	0.3
123.04465	0.2
123.08070	0.3
127.03876	0.9
129.05438	0.2
131.04900	3.7
131.08540	0.2
133.02843	1.7
133.06459	2.3
134.03601	0.2
135.04451	0.2
135.08018	0.6
136.05196	0.2
137.05952	100.0
138.06294	0.7
145.06462	0.3
146.03627	0.3
147.04390	2.6
147.08044	0.9
149.05916	2.0
151.03833	0.2
151.07520	6.1
153.05414	0.2
155.75746	0.1
157.06528	0.2
159.07973	0.3
160.05148	0.3
161.05943	14.6
161.09563	0.6
162.06691	0.6
163.07501	5.1
165.05554	0.2
165.06949	0.9
165.09128	0.2
166.07716	0.3
167.06996	0.3
167.08458	0.5
171.07892	0.2
173.05934	0.1
174.06734	0.3
175.07497	3.0
177.05453	0.8
177.06848	0.2
177.09058	2.2
179.06995	1.7
179.08560	0.7
181.06355	0.2
181.06631	0.2
181.08551	6.9
181.10133	0.3
182.07259	0.2
185.05869	0.3
187.07491	3.7
189.09106	1.4
190.07739	0.2
191.06979	1.4
191.08534	0.7
193.06465	1.6
194.07251	2.1
195.08061	0.7
197.06085	0.2
197.09631	0.2
199.07523	0.3
203.06990	0.2
205.06468	0.9
205.08591	3.2
205.10281	0.2
206.07201	0.2
207.07957	0.5
207.09897	0.1
208.08821	0.3
209.09616	0.7
210.06660	1.0
211.07503	0.6
217.08504	2.3
218.07306	0.2
219.08023	1.3
219.10028	0.3
221.05946	2.9
222.06715	1.8
223.07349	0.2
224.08243	0.7
225.09070	2.3
226.09923	0.2
227.07031	0.2
227.10762	0.6
231.08018	0.5
233.05988	0.3
234.06714	0.3
235.07515	0.6
235.09633	0.2
236.08247	0.8
237.09093	1.7
238.06175	0.5
239.06973	1.0
239.10635	0.6
241.08516	0.2
247.07498	0.7
248.08232	0.2
249.08984	0.3
250.06174	0.6
251.06880	0.2
251.10602	1.1
252.07779	0.8
253.08562	2.2
254.09331	0.7
255.10205	0.2
259.07507	0.3
261.08914	0.2
263.10663	0.2
264.07736	0.6
265.08530	7.2
266.08954	0.2
267.07092	0.2
267.10083	2.5
269.11804	0.2
270.08948	0.3
271.09644	0.9
279.10056	2.2
281.08032	0.2
282.08780	0.8
285.11148	5.6
287.12698	0.3
291.10120	0.9
295.13370	0.2
296.10330	0.6
297.11157	9.6
299.12598	0.5
308.10150	0.2
309.11163	0.7
311.12680	4.8
313.14215	1.4
315.12170	5.1
323.12619	1.6
329.13687	1.4
341.13760	3.3
359.14764	3.2
401.65067	0.2
488.98080	0.1
505.21674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19565	0.2
58.36456	0.2
59.71360	0.2
65.03922	0.3
67.05475	0.3
74.65469	0.2
79.05481	1.1
80.64725	0.2
81.07060	0.8
91.05467	3.3
93.07029	1.1
94.04171	0.5
95.04953	0.4
98.11128	0.2
103.05441	1.0
105.07015	1.4
107.04939	0.4
107.08592	0.3
108.05712	0.3
115.05444	1.2
115.55099	0.3
116.06235	0.3
117.07014	2.9
119.04936	3.0
119.08536	0.5
121.06494	1.3
122.03631	2.7
123.08053	1.5
128.06213	1.2
129.06973	0.9
131.04927	2.3
133.06528	0.9
134.07231	0.3
135.08052	1.1
137.05959	46.8
141.07072	0.3
143.08513	0.8
145.06421	0.9
147.04413	0.5
147.07996	0.9
149.06018	0.4
149.09618	0.5
151.03894	0.3
151.07526	11.7
157.06410	0.3
159.08060	0.9
160.05177	0.3
161.05948	3.2
162.06749	2.7
163.07526	3.9
165.06975	1.4
165.09058	0.9
165.57307	0.3
167.07126	0.3
171.08131	0.8
175.07495	6.4
177.09077	100.0
178.09392	0.9
179.08588	0.3
181.08575	0.5
182.07233	0.5
183.15804	0.2
187.07538	1.6
189.09067	1.2
191.08534	0.9
193.06540	0.9
193.08614	1.1
194.07228	1.0
195.08464	0.4
195.10168	3.2
199.07408	0.3
201.09052	0.3
203.08710	0.3
203.10664	0.5
205.06432	1.0
207.07877	0.3
208.08754	0.3
210.06694	1.1
219.07993	3.0
219.10161	1.3
221.05923	2.2
221.11685	9.8
222.06682	0.9
223.07376	0.3
224.08263	0.9
225.09007	1.4
227.06976	0.4
233.05901	0.5
235.07559	0.5
236.08235	0.4
237.09160	2.2
247.07484	1.5
248.08200	0.6
249.09119	0.4
250.06076	0.4
251.06963	0.3
251.10667	2.2
252.07800	0.3
253.08589	1.9
261.09085	0.5
262.06039	0.3
263.07010	0.4
264.07645	0.4
265.08554	7.0
267.10089	2.1
270.08829	0.4
277.08551	1.1
278.09509	0.3
279.10117	3.6
280.10858	0.3
281.08044	0.5
281.11359	0.2
283.09656	0.3
285.11176	3.6
287.12842	0.5
291.10077	1.3
293.08197	0.3
295.09375	1.0
296.10403	1.9
297.11148	5.4
299.12665	0.3
308.10309	0.4
309.11002	1.5
311.09262	0.5
311.12711	9.8
313.14359	1.2
321.11322	0.3
323.12616	2.0
335.12698	0.9
351.15591	0.3
355.15402	1.2
367.15271	0.4
441.17075	0.3
459.17676	0.4
475.20975	3.2
479.20242	0.5
491.20706	1.6
493.22266	0.8
517.22522	0.3
589.31677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64916	0.8
51.88376	0.7
53.03938	1.4
53.44464	0.9
55.01871	1.9
57.03447	1.1
61.02901	0.9
67.05487	1.2
69.03426	8.5
70.06599	0.9
70.16493	0.7
71.01241	1.0
79.05489	1.6
81.03382	1.9
85.02894	11.7
91.05471	16.8
93.07024	2.0
95.04958	5.0
97.02865	3.6
98.13511	0.9
99.04428	2.2
100.60601	0.9
102.73939	0.8
103.05460	8.7
105.03389	1.4
105.07019	9.4
107.04942	13.1
109.02875	3.9
109.06503	1.4
111.04420	1.8
115.05444	4.3
117.07011	1.9
119.04926	20.0
121.06452	9.6
122.03638	4.2
123.08078	1.6
125.45844	1.0
127.03905	4.8
128.06177	1.1
129.06993	6.4
131.04904	11.5
131.08580	1.8
133.02850	12.0
133.06479	9.1
135.04492	1.4
135.08052	1.9
137.05963	100.0
145.06468	5.2
146.07236	1.5
147.04433	11.2
147.08025	1.8
147.11618	0.9
149.05992	10.3
150.06845	0.9
151.03915	5.5
151.07533	31.4
153.05473	1.8
157.06506	2.3
159.08095	1.3
160.05170	1.2
161.05960	61.9
161.09583	11.1
162.06656	3.9
163.07521	16.8
165.06946	1.6
165.09048	2.1
167.06891	1.2
167.08464	1.4
173.05832	1.6
174.06731	3.7
175.07530	18.8
177.05426	3.8
177.09007	7.5
179.07034	3.9
179.08493	1.5
181.06310	3.2
181.08603	3.4
187.07549	5.5
189.09074	28.4
191.03354	2.3
191.07004	1.5
191.08543	3.3
193.06454	3.8
193.08495	1.4
193.10114	1.2
194.07234	3.4
195.08034	5.4
195.10117	4.2
201.09116	1.9
203.07008	2.1
205.06480	2.2
207.08128	2.0
207.10115	22.5
209.06090	1.4
209.07988	1.1
211.07536	1.3
213.09047	1.5
215.06946	1.0
219.08029	7.4
219.10193	6.1
221.05925	4.4
221.09616	2.0
222.06734	2.0
223.07591	2.2
224.08369	1.1
225.05347	1.1
225.09059	5.2
227.07007	2.1
227.10716	1.0
234.06793	2.3
235.07414	2.2
236.08363	1.8
237.02795	0.9
237.09105	5.9
239.06987	1.2
239.10645	1.7
241.08572	2.0
242.09505	0.9
245.09543	1.1
246.06718	1.0
247.07504	3.8
248.08093	1.5
249.09085	5.2
251.06972	1.5
251.10664	5.2
253.08560	12.0
255.06512	2.3
255.10054	6.4
263.06992	1.4
263.10785	1.2
264.07870	1.8
265.08554	12.0
266.09250	1.7
267.10123	6.6
268.07242	1.1
269.08005	1.6
270.08820	6.1
277.08588	4.7
278.09143	1.2
279.10147	8.3
281.08139	1.5
281.11768	1.3
283.09631	8.5
283.12775	1.0
285.11224	5.7
289.08569	1.3
290.09222	1.4
291.09982	1.9
295.09540	4.3
295.12762	1.1
296.10440	3.8
297.11194	16.6
299.12790	1.8
307.09631	1.4
309.11279	8.4
310.11868	1.4
311.12753	12.1
313.14307	2.2
315.12299	1.5
317.13870	1.7
321.11212	1.8
322.11551	1.4
323.12808	2.0
325.14267	3.2
327.12338	2.1
329.13800	18.2
331.15271	6.0
337.14224	4.2
341.13834	5.9
343.15369	1.8
355.15405	13.9
357.13034	1.7
367.15256	5.7
379.15234	1.1
385.16101	1.3
388.44565	1.0
461.19775	1.6
479.20480	19.4
491.20493	8.7
503.20456	1.5
509.21820	7.7
537.11987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.7
56.72440	0.4
57.03413	0.8
65.88652	0.4
69.03401	2.0
79.05433	0.4
81.03353	0.4
82.00865	0.3
83.38416	0.3
85.02901	3.9
91.05462	3.3
97.02861	1.5
99.02438	0.4
101.40138	0.4
103.01034	0.4
103.05455	0.9
105.06982	1.3
107.04905	0.4
109.02814	0.6
109.27417	0.4
114.37592	0.4
115.05422	0.9
117.07004	0.7
119.04923	3.5
121.06501	0.5
122.03550	0.4
123.04362	0.5
127.03903	0.7
128.06194	1.7
129.06982	14.7
131.04901	4.1
131.08537	13.0
133.06354	0.4
137.05949	12.9
141.06972	9.8
143.08554	0.6
144.05681	2.1
145.06427	0.9
147.04378	4.3
148.05202	0.5
149.05952	0.7
151.03906	3.2
151.07480	2.7
157.06467	12.8
158.07231	4.2
159.04387	0.5
159.08017	10.4
160.05159	2.2
161.05965	2.0
161.09564	1.6
162.06703	1.5
163.07527	2.5
168.05606	0.4
169.06458	5.3
170.07219	2.5
171.08046	0.7
173.05966	0.7
174.06726	23.3
175.07524	5.5
177.05438	1.8
177.09074	0.5
178.04935	0.5
179.06958	2.3
183.71455	0.4
186.06699	6.4
187.07436	0.8
188.08275	1.8
189.09064	44.0
190.09509	0.6
191.06958	0.9
191.10583	3.7
201.09073	17.5
201.10905	0.8
203.10594	0.8
206.04515	0.4
207.10123	0.9
211.07484	0.5
219.10123	100.0
220.10593	1.3
225.09135	0.4
231.07935	0.5
231.71996	0.4
239.07031	0.5
247.07401	0.8
248.08238	0.5
263.10632	0.6
273.00146	0.4
279.10165	0.6
291.10086	0.9
309.11035	0.5
323.12640	0.6
341.13516	2.7
367.15222	0.8
381.15195	1.7
397.16290	0.6
521.20575	0.5
606.25031	0.4
622.08514	0.4
708.05707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01862	4.1
57.03423	1.0
66.72755	0.9
67.05490	1.1
69.03391	3.5
72.08134	1.0
72.43586	0.9
73.87022	0.9
76.11634	1.0
79.05472	3.7
81.03392	1.8
81.07044	1.4
81.81100	0.9
85.02891	5.4
89.20270	0.8
91.05460	16.1
93.07018	1.2
94.04152	1.4
95.04937	11.0
95.08592	1.0
97.02863	4.8
103.05431	7.2
105.03396	0.9
105.07001	8.3
107.04948	11.8
109.02835	1.2
109.06550	1.6
115.05452	4.2
117.06974	2.1
119.04911	17.3
119.08558	3.5
121.02836	1.2
121.06499	10.0
122.03586	5.7
123.04395	4.1
123.08028	1.8
124.05241	1.1
125.06081	1.0
127.02365	0.9
127.03905	2.1
128.06235	1.5
129.06970	12.8
131.04922	8.8
131.08546	5.2
133.02841	6.3
133.06467	5.1
133.10130	1.0
134.03606	1.3
135.04396	2.2
135.08043	2.2
136.05211	1.3
137.05949	100.0
141.06964	2.1
145.06494	4.1
146.03629	1.3
146.07182	1.9
147.04372	14.6
147.08054	2.4
148.05148	1.5
149.05946	12.0
149.09669	1.5
151.03871	2.4
151.07523	32.7
153.06842	1.3
157.06461	5.6
159.08075	3.7
160.05162	1.1
161.05946	80.3
161.09575	16.6
162.06715	4.3
163.07483	13.8
165.06924	5.1
165.09081	1.4
166.07680	1.0
167.07076	1.8
167.08565	4.1
169.06529	1.5
170.07277	1.2
171.08083	0.9
173.05934	1.3
174.06705	11.2
175.07507	27.5
175.08916	1.8
176.08179	1.2
177.05499	1.2
177.09097	5.8
178.07742	1.1
179.06970	3.7
179.08504	3.2
181.06519	4.0
182.07396	1.2
183.07979	1.1
186.06630	1.3
187.07553	5.3
188.08243	1.4
189.09067	42.5
191.07022	1.7
191.08575	5.8
193.06494	4.2
194.07253	5.0
194.82588	0.9
195.08054	14.2
195.10109	4.1
197.06007	1.2
197.09612	1.9
198.06825	1.1
199.07523	1.1
201.09109	5.9
203.06908	1.4
204.07736	1.1
205.04741	1.2
205.06444	5.8
205.10094	1.3
206.07245	1.3
207.08073	4.0
207.10132	21.8
208.08847	4.0
209.06017	3.6
209.09729	1.7
210.06738	5.6
211.07527	5.9
212.08386	1.4
213.09096	1.5
219.08017	16.7
219.10146	56.5
220.08797	1.9
221.05962	11.0
221.09592	6.0
222.06697	2.2
223.07506	9.0
223.11099	3.9
224.08238	2.3
225.09100	10.6
226.06252	1.5
227.07027	5.0
227.10612	2.1
233.05888	1.4
235.07590	7.2
236.08340	4.0
237.09045	13.0
238.06163	2.0
239.06982	7.3
239.10603	1.6
240.07813	5.2
240.31921	1.0
241.08603	5.8
242.09340	1.1
247.07527	7.9
248.08319	5.1
249.09097	6.3
251.07007	11.0
251.10495	8.4
252.07724	2.2
253.08565	24.5
253.11151	1.5
253.12297	1.1
255.06470	9.4
255.10179	8.9
261.08997	4.9
263.10535	1.8
264.07864	3.4
265.08585	23.5
266.09351	1.6
267.10144	9.2
268.07135	1.3
268.10809	1.0
269.08020	5.8
269.11719	1.6
270.08832	10.2
277.08499	6.3
277.11386	1.1
279.10031	14.2
281.08121	3.6
281.11346	1.1
282.08792	1.2
283.09555	10.0
283.12936	2.0
285.11169	9.4
287.12842	1.9
291.10229	1.9
293.11682	1.5
295.09644	4.7
296.10355	6.9
297.11157	34.7
298.11646	1.5
299.12637	1.4
305.11630	1.4
308.10489	1.1
309.11105	6.4
310.12128	1.3
311.12674	13.8
313.14218	2.0
315.12225	5.0
321.11261	4.0
323.12720	2.3
325.14258	1.6
327.12125	1.2
329.13745	59.5
331.15359	12.8
337.14401	6.8
341.13794	6.4
343.15637	1.9
347.00580	1.0
349.14236	1.4
355.15256	22.2
367.15384	12.5
375.72543	1.0
461.19208	5.2
479.20425	15.8
491.20276	5.4
503.21097	1.1
509.21579	13.3
521.21149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.9
67.37383	2.1
75.78513	1.8
75.99956	2.0
79.05465	4.4
79.77456	1.6
81.07013	2.6
85.02881	2.9
85.33966	1.9
91.05464	2.4
95.08587	1.8
97.06502	8.7
103.05450	3.0
105.07035	2.8
131.04945	2.2
137.05960	14.8
163.07576	2.3
225.10156	8.7
226.10919	2.8
231.72322	2.0
241.13277	4.4
259.14658	2.0
271.09775	1.9
278.92203	1.9
284.11627	4.5
285.09296	4.2
285.12305	100.0
362.18744	3.6
376.12778	2.9
377.13278	2.2
378.18030	17.1
380.19403	3.6
390.14279	4.6
392.15823	2.6
404.16125	3.3
406.17551	84.3
408.19034	40.4
451.17267	3.9
452.18048	61.2
482.19144	19.9
548.23083	3.3
589.25873	3.8
596.25732	12.5
619.27466	59.5
702.19354	2.2
715.32941	21.6
733.34698	44.7
734.34692	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	735.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.6
61.02900	4.2
61.65233	1.9
67.05495	11.6
69.07057	3.5
72.71023	2.0
73.53572	2.1
79.05480	3.3
81.07034	8.9
85.02873	3.9
87.84199	2.0
91.03935	3.2
91.05447	4.2
93.07023	4.4
95.08587	3.4
97.02848	5.1
107.08550	2.7
107.44802	2.2
109.10149	4.6
109.33286	2.3
131.08502	2.9
150.07495	2.5
231.92830	2.6
256.73679	3.0
305.16861	2.5
424.28683	2.7
437.39026	3.2
453.20770	10.7
523.25165	4.3
581.00500	2.9
586.05945	2.3
598.74561	2.5
735.38959	100.0
736.38910	3.1
753.28632	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	735.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.6
57.03430	3.1
59.50693	0.7
61.02917	7.5
62.13840	0.7
65.68331	0.7
67.05491	6.1
69.03414	3.9
69.07050	1.6
71.04984	3.5
73.02905	5.1
79.05480	5.4
81.03394	1.2
81.07043	4.5
85.02883	6.0
91.03949	4.6
91.05472	1.5
93.06994	6.4
95.08581	12.0
97.02874	5.4
101.02357	1.4
105.07027	0.9
106.76428	0.8
107.05037	0.8
107.08592	1.2
108.16058	0.7
109.02885	1.0
109.10179	1.0
110.30560	0.9
119.08598	1.4
121.10151	4.6
123.08028	3.4
149.09644	1.1
164.70459	1.0
227.83289	0.7
229.14317	0.8
239.12575	1.0
243.08414	3.7
363.25110	0.8
457.20428	13.1
496.13586	0.9
519.29413	5.0
520.77631	0.8
735.42731	100.0
736.42877	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	735.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79270	1.6
54.15954	2.0
57.03428	1.9
61.02908	9.4
67.05494	8.3
69.03402	3.9
69.07048	3.2
70.24131	1.6
71.04984	2.3
73.02873	3.4
79.05463	2.9
81.07030	10.6
85.02908	7.8
87.51266	1.8
89.06031	2.0
91.03948	2.9
91.05472	4.3
93.07015	9.7
95.08578	7.6
97.02904	8.0
105.07060	3.0
107.08616	4.0
109.10146	1.8
121.10144	2.6
127.03867	2.4
169.25462	1.9
183.91499	2.2
187.47359	2.0
355.38647	2.0
485.24030	3.6
491.26187	4.7
735.42590	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	731.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77174	0.3
53.00275	0.3
53.03933	0.7
55.01867	0.3
55.05514	2.4
57.03431	2.7
61.02914	5.6
61.90839	0.3
67.05489	6.3
69.03410	3.1
69.07060	2.5
71.04971	0.6
73.02904	4.5
78.29191	0.3
79.05480	4.7
81.03402	1.8
81.07035	7.8
83.04982	0.4
83.08599	1.3
85.02880	5.6
91.03941	3.5
91.05475	1.8
93.07027	5.6
95.04957	0.6
95.08588	4.5
97.02872	5.4
97.06501	0.4
97.10130	0.4
99.04425	0.7
101.02374	2.0
105.07043	1.4
107.08582	2.8
109.02863	0.5
109.10138	1.7
117.07054	0.6
119.08547	1.2
121.10110	2.4
127.03925	1.9
131.08548	0.8
132.12166	0.3
133.10149	0.5
135.11694	1.5
147.11708	0.6
149.13287	2.0
161.13364	0.3
163.11131	0.8
177.12889	0.3
185.04150	0.5
235.13008	1.2
243.08470	2.0
273.11111	0.4
283.15414	0.5
325.27686	0.6
335.25665	0.4
397.62317	0.3
453.20944	3.8
491.64609	0.3
514.11273	0.4
519.29224	7.1
533.38806	0.4
534.38922	1.4
731.43237	100.0
732.43329	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	732.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06111	1.1
53.03929	3.2
55.01859	2.7
55.05506	11.2
57.03431	16.8
59.90765	1.1
61.02905	1.1
63.44272	1.2
65.03913	1.4
67.05144	1.9
67.05491	43.4
69.03425	2.5
69.07048	14.7
71.04963	2.3
71.70316	1.3
74.40031	1.0
79.05473	33.6
81.03402	100.0
81.07037	42.0
83.04946	5.0
83.08592	6.4
85.02874	1.4
85.06552	1.7
86.01656	1.3
91.05458	40.1
93.07022	39.6
95.04930	6.8
95.08585	34.7
97.02837	2.4
97.06474	2.6
97.10098	1.8
105.07018	14.4
107.04922	2.3
107.08588	15.0
109.06468	2.2
109.10139	15.9
111.08066	1.9
111.59882	1.3
117.06979	9.7
119.08567	32.9
121.06470	7.2
121.10146	15.2
123.11687	3.1
129.06966	2.1
129.80200	1.4
131.08549	10.5
133.10063	9.6
135.08003	3.0
135.11658	7.6
137.09598	20.0
143.08568	2.2
145.10118	11.2
147.08063	5.5
147.11662	6.5
149.09581	1.8
149.13206	5.0
157.10144	2.2
159.11705	5.2
161.09514	1.9
161.13185	2.2
165.09073	14.2
166.28612	1.7
173.13206	2.4
175.14760	1.8
239.12726	37.0
261.22055	5.4
333.24069	1.5
335.25772	23.1
386.22910	1.8
407.29285	3.0
425.30597	1.7
468.52313	1.3
499.34012	29.4
517.35040	27.2
535.35657	5.5
617.15717	1.4
683.62067	1.5
687.85266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	16.8
57.03434	4.5
67.05495	49.6
69.07059	17.3
71.04977	3.4
79.05080	2.4
79.05471	21.2
81.07038	41.9
83.08592	8.6
85.02908	2.4
86.46938	1.9
91.05476	10.0
93.07009	23.4
95.08585	100.0
97.06512	2.8
97.10147	2.2
103.61216	2.0
105.07038	8.8
107.08614	8.9
109.10151	8.4
119.08542	4.1
120.88136	2.0
121.10110	14.1
123.08010	7.6
123.11672	2.3
133.10115	3.4
145.10027	3.0
149.09518	2.8
159.10147	4.4
205.97572	2.0
264.73779	2.4
271.32751	2.7
273.17017	10.0
282.58817	1.9
337.27313	11.0
477.35623	57.8
503.36862	4.8
515.70807	2.4
535.39771	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	731.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.8
81.03416	1.0
81.07027	0.9
91.05473	3.4
93.07088	1.3
95.08613	1.2
97.02860	0.9
107.08595	1.1
137.06000	4.4
138.43559	0.8
143.19237	0.9
191.98114	1.0
193.10426	0.9
203.05379	1.4
210.51849	0.9
239.63193	0.9
259.07932	1.5
365.10391	1.3
394.59482	1.0
407.23746	1.1
457.20532	3.9
471.22028	3.9
569.29218	17.2
633.27032	1.5
730.37366	6.8
731.34625	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	731.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39766	1.1
55.05503	1.3
60.08284	1.2
60.97612	1.2
70.02776	1.4
77.63520	1.2
79.05475	1.7
85.54757	1.2
91.05482	2.0
93.07016	1.8
105.07055	1.8
119.08624	2.0
131.04924	2.3
137.05968	3.1
183.08301	1.3
201.53020	1.4
203.05302	2.3
307.15433	1.4
418.54160	1.4
457.20346	2.1
471.21893	2.8
569.29095	12.8
619.26422	2.1
653.21533	1.5
730.37152	2.7
731.34595	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	731.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62448	2.0
65.80885	1.8
75.65495	2.1
88.73156	2.0
91.05457	3.2
92.09393	4.6
105.07057	2.1
109.02833	2.6
180.92056	2.2
191.61128	3.1
192.13864	2.3
205.47684	2.2
271.73456	2.5
364.47040	2.3
365.10403	3.3
442.56876	2.5
523.06671	3.4
569.29633	18.7
695.02991	2.6
731.34491	100.0
732.34320	3.2
749.10486	2.5
753.75513	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	731.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.4
91.05497	1.1
93.07006	0.5
131.04924	0.5
137.05945	3.6
147.04442	0.8
189.30292	0.5
203.05296	1.3
223.11023	0.6
259.07965	2.7
295.78763	0.5
333.20306	0.9
347.09497	2.2
365.10593	3.8
383.83115	0.5
407.23846	4.6
421.13287	2.2
487.39807	0.6
569.22485	0.5
569.29236	29.8
731.34497	100.0
732.35022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.2
53.03929	2.2
54.81047	0.8
55.01857	1.5
55.05506	16.6
57.03425	11.2
57.07066	2.6
57.40104	0.9
58.08808	1.0
61.02901	2.6
62.47924	1.0
63.80281	0.9
65.03935	1.0
67.05497	70.6
69.03427	1.8
69.07050	10.9
71.04980	24.3
79.05480	58.3
79.24687	1.0
81.03420	1.6
81.07042	100.0
83.04969	2.7
83.08591	7.6
85.02903	2.1
85.06541	7.8
85.87876	0.9
86.09705	1.3
91.05466	37.6
91.18481	1.0
93.07025	65.9
95.04967	8.6
95.08599	31.3
97.02853	1.2
97.06522	6.6
97.10154	2.4
97.11314	0.9
99.08096	4.6
105.07017	19.5
107.08575	19.0
107.92876	1.1
109.10146	11.5
110.57336	1.1
111.08048	2.2
117.06998	7.8
119.08572	10.6
121.10113	26.5
123.08014	1.5
123.11689	12.2
123.69272	1.1
125.09616	1.3
131.08585	9.3
133.10104	21.2
135.11676	6.8
145.10149	5.8
147.11650	5.3
149.13197	2.4
151.11180	9.2
157.10115	1.6
159.11700	7.2
165.12662	1.3
173.13293	1.9
177.12691	1.3
183.13730	1.4
184.07278	4.2
185.13284	1.7
187.00591	1.2
187.13217	4.7
192.39124	1.1
233.18863	1.3
240.54359	1.2
257.17474	1.9
264.29501	1.1
269.17343	4.4
301.20016	9.7
307.22644	27.1
393.29282	1.5
475.34109	75.3
476.34348	1.5
489.35294	1.5
501.35617	7.9
533.38293	80.0
534.38751	2.1
743.47705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.0
55.05494	19.6
57.03434	22.4
59.42268	3.0
61.02888	3.1
66.62655	2.8
67.05484	44.1
69.07066	25.3
71.04965	5.2
74.40285	3.2
79.05476	47.3
81.03412	5.4
81.07042	100.0
83.08581	21.9
85.02876	4.2
91.05464	35.8
93.06477	4.8
93.07020	61.1
95.04953	13.5
95.08582	32.3
97.06512	6.3
104.10728	3.4
105.06985	10.0
107.04925	6.3
107.08571	26.2
109.06496	32.5
109.10130	6.6
111.08013	4.4
117.06954	11.2
119.08555	17.8
120.54056	3.3
121.06496	3.7
121.10119	19.6
123.08074	4.3
125.57536	3.8
131.08514	15.2
133.10072	7.4
135.08020	7.8
135.11679	6.3
137.09572	4.7
145.10141	3.5
149.09596	13.7
149.13222	12.8
159.11702	4.7
183.79330	3.8
241.14194	5.7
247.16801	11.9
261.04526	3.3
269.17230	24.5
293.43738	3.6
321.20563	14.3
339.21674	6.4
349.24020	3.6
515.33667	54.1
533.34637	56.2
615.89899	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	730.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.6
53.03936	0.8
55.01863	0.8
55.05265	0.6
55.05508	9.5
57.03432	7.4
57.07060	0.7
59.04974	0.4
61.02914	2.8
65.03923	0.8
65.71311	0.3
67.05498	36.9
69.03413	1.0
69.07059	10.7
71.04980	11.4
71.08608	0.5
79.05480	28.2
81.03398	0.9
81.07043	27.0
82.44181	0.4
82.44657	0.5
82.84578	0.4
83.04966	2.9
83.08619	3.2
85.02866	2.8
91.03919	0.5
91.05472	11.5
93.07032	33.4
95.04959	2.8
95.08592	100.0
96.08887	1.0
97.02879	1.8
97.06509	3.6
97.10155	2.5
99.08023	0.7
105.07028	10.3
107.04946	0.6
107.08587	12.2
109.06509	0.9
109.10143	6.8
111.08057	0.4
117.07006	2.6
119.08573	8.4
121.10130	16.7
123.08035	8.1
123.11689	0.9
125.09600	2.0
129.07010	0.9
131.08546	10.0
133.10135	5.8
135.11691	5.9
137.09641	0.5
141.09085	1.6
143.08539	0.7
145.10112	3.7
147.11694	3.7
149.09714	1.5
149.13239	2.2
157.10088	1.5
159.10147	4.3
159.11674	3.2
161.13252	2.5
171.11586	0.5
173.13261	2.4
185.13274	0.8
187.14886	0.8
197.11687	0.5
199.13260	0.8
199.14888	0.6
213.16486	0.6
229.14310	0.7
241.14360	1.8
243.21233	0.5
259.20508	0.7
261.22128	0.6
273.16910	11.0
313.26663	0.4
333.24277	0.4
335.25729	9.4
383.29327	1.0
457.32996	2.9
475.34137	39.6
476.34750	0.9
483.34555	0.6
489.35675	1.7
501.35651	7.8
507.36633	0.6
518.93500	0.5
533.38361	22.0
645.77283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
54.14205	0.7
55.01869	0.8
55.05505	4.2
57.03428	5.1
59.04980	0.8
61.02909	8.2
61.41890	0.7
67.05502	6.8
69.03422	6.3
69.07064	3.5
71.04986	1.7
73.02914	3.9
79.05473	8.4
80.36665	0.9
81.07026	10.4
83.04963	1.6
83.08624	1.5
85.02881	12.0
85.06527	1.0
91.03946	5.1
91.05455	10.2
93.07024	7.6
95.04967	2.0
95.08604	3.7
97.02847	6.3
97.06545	1.1
97.10133	1.0
101.02377	2.1
105.06985	6.7
107.04961	1.6
107.08610	4.6
109.02918	1.1
109.10134	1.9
117.07033	0.9
119.08581	5.1
121.06491	0.9
121.10151	3.8
127.03909	1.5
129.06992	1.3
131.08548	3.5
133.10115	1.7
137.06009	1.8
147.11671	6.2
149.09644	4.1
175.11159	1.3
185.83226	1.0
193.00845	0.9
193.12303	4.4
207.50916	0.9
225.14891	1.4
243.08440	3.5
263.54892	1.1
283.15115	7.0
339.17776	1.1
341.94650	1.0
350.24481	1.0
351.24872	1.1
369.26917	0.8
469.20346	14.1
501.23105	14.5
729.36584	100.0
730.37024	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	730.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
53.42830	2.0
55.01857	9.6
55.05507	32.2
57.03437	19.4
61.02897	9.4
65.03917	3.3
67.05494	74.2
69.03409	5.0
69.07063	24.5
73.02905	2.8
79.05475	85.3
81.03399	5.9
81.07036	100.0
83.04955	4.2
83.08597	15.2
83.83292	2.2
85.02892	13.8
85.06525	3.6
85.60484	2.0
85.95817	2.1
91.05460	47.0
92.09283	4.9
93.07022	55.3
95.04932	10.3
95.08590	65.4
97.02866	31.1
97.06500	3.3
97.10132	4.9
99.08074	2.8
105.07020	34.0
107.04961	5.8
107.08587	45.9
109.06516	9.7
109.10122	19.7
111.08094	5.1
117.07023	29.8
119.08557	39.6
121.06482	10.2
121.10130	16.8
123.08055	22.0
123.11650	3.6
125.09593	3.3
129.06981	13.6
131.08511	21.5
133.10080	18.8
135.08026	31.6
135.11676	6.0
137.05997	3.9
137.09602	5.5
143.08533	13.5
145.06480	5.4
145.10106	23.4
147.08014	9.3
147.11673	11.4
149.09630	4.2
151.07472	3.3
153.09016	4.6
155.08540	5.1
157.10139	11.8
159.11679	16.7
161.09578	4.0
161.13208	10.7
163.07515	27.7
167.08643	2.5
169.10065	4.8
171.11627	9.9
173.13258	6.0
175.11200	3.4
181.08551	15.6
183.11674	4.8
185.13171	9.7
187.11118	3.5
187.14874	4.2
189.12756	2.5
197.13242	3.7
199.09595	4.2
199.13142	3.0
201.11226	5.5
222.84511	2.5
225.05061	2.6
255.12241	46.7
261.22046	2.8
273.22061	3.4
289.21603	3.1
302.79501	3.0
315.23087	3.8
335.25623	9.6
341.66010	2.6
373.23456	3.9
423.28906	10.1
441.30167	3.5
459.30902	3.1
497.32443	17.6
515.33636	76.2
533.34589	46.8
676.11749	3.6
730.42627	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	728.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	30.9
57.03424	24.5
57.07064	17.2
61.02922	5.0
61.42921	3.0
62.61748	2.7
67.05495	100.0
69.03403	4.3
69.07063	24.6
71.08620	6.5
79.05485	50.6
81.03394	14.5
81.07039	72.0
83.04961	8.3
83.08603	8.6
84.15713	3.1
84.44267	3.8
85.02880	8.6
85.06506	3.7
85.10164	3.5
91.05482	40.8
93.07030	51.1
95.04967	29.0
95.08599	52.3
97.02939	4.1
101.05997	4.0
105.07043	24.7
107.08584	20.3
109.06509	3.9
109.10156	51.1
117.07021	6.5
119.08565	23.9
121.10152	24.5
123.11727	6.0
131.08554	8.6
133.10114	22.5
135.11646	4.1
145.10135	5.8
147.11670	6.5
149.13237	4.3
153.28557	3.6
158.99263	3.8
161.09596	4.3
173.11711	4.9
207.46661	3.5
229.14279	22.5
261.22208	5.2
271.15369	39.7
299.89133	3.6
313.27313	20.9
335.25790	49.7
345.42285	4.3
413.97656	3.6
467.37247	23.2
531.36548	31.3
560.01147	3.7
622.51227	3.8
739.94916	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90532	0.9
52.93539	1.2
53.00307	1.8
53.03922	1.8
54.51549	1.0
55.01859	4.4
55.05265	1.3
55.05508	17.4
57.03435	13.1
57.07067	5.0
61.02916	2.0
63.20917	1.1
65.03909	1.6
67.05145	2.3
67.05496	60.7
69.03411	2.6
69.07063	16.5
71.04977	5.8
72.00684	1.1
79.05477	31.7
81.03393	5.0
81.07040	56.6
83.04964	6.6
83.08601	5.7
85.02885	4.9
85.06539	6.7
86.86166	1.1
91.05463	41.7
93.07027	34.9
95.04967	8.2
95.08602	23.4
97.02880	1.7
97.06528	2.8
97.10139	1.3
99.04501	1.2
105.07014	36.6
107.08575	41.1
107.74477	1.2
109.06524	7.0
109.10145	68.9
117.06992	6.2
119.08576	9.9
121.06458	1.9
121.10148	12.4
123.11687	11.1
127.07514	2.4
131.08551	8.0
133.10109	66.2
135.11685	6.5
143.08575	1.6
145.10104	2.7
147.11691	2.6
149.13306	2.2
150.32013	1.3
151.11168	29.7
159.11667	2.0
161.09631	2.7
161.13261	1.4
162.29324	1.3
163.14738	1.3
169.12151	2.5
173.13272	1.8
215.12868	1.3
229.14384	1.9
253.14302	100.0
254.14742	1.7
261.22098	9.0
271.15350	32.6
296.45065	1.4
313.27432	2.0
335.25705	27.9
356.26376	1.3
423.13333	1.3
513.35657	11.5
519.06787	1.4
531.36786	41.2
549.37140	1.5
718.76904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
54.72447	1.4
55.01862	6.6
55.05507	15.7
57.03426	12.6
57.07063	2.1
60.59803	1.6
61.02926	3.1
65.03957	1.8
67.05142	2.9
67.05490	68.3
69.03416	2.2
69.07060	17.8
71.04979	4.1
73.04255	1.7
74.80263	1.7
79.05470	36.6
81.03414	2.2
81.07040	66.7
83.04974	7.1
83.08626	3.2
83.33086	1.4
85.02900	2.5
85.06536	7.3
91.05459	51.1
92.08617	3.1
93.07026	37.0
95.04936	8.6
95.08579	32.8
97.06477	7.1
105.07021	43.1
107.08574	41.2
108.81844	1.5
109.06489	3.7
109.10140	72.3
117.06986	3.8
117.86228	1.8
119.08563	9.2
121.10111	14.4
123.11676	10.5
127.07573	1.9
131.08539	4.3
133.10104	66.4
135.11711	4.0
137.31627	1.5
145.10135	2.5
147.11687	2.6
149.13228	3.1
151.11148	36.0
159.11624	2.7
161.09506	1.7
162.99896	1.6
169.12273	7.1
173.13293	2.0
198.38312	1.9
215.12723	1.9
243.21014	1.7
253.14279	100.0
261.22141	9.2
271.15286	24.1
335.25726	44.8
513.35492	8.5
531.36688	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	728.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55831	1.7
51.71112	1.8
54.07390	1.6
55.01866	8.4
55.05503	17.9
57.03424	4.7
57.07062	4.4
61.02917	12.4
62.38800	1.9
63.96733	1.6
67.05487	24.5
68.93328	1.6
69.03426	2.7
69.07053	11.8
71.04968	3.0
71.08619	10.7
73.02886	1.5
74.28162	1.6
79.05482	13.0
81.03404	8.6
81.07046	31.2
83.04996	1.9
83.08607	13.0
85.02888	11.7
85.06526	2.6
85.10165	11.8
87.15603	2.0
91.03954	8.0
91.05441	19.4
91.23429	1.7
91.56557	1.8
93.07030	22.0
93.87910	1.7
95.04939	10.0
95.08594	10.5
97.06490	2.8
99.08072	7.7
105.07016	18.2
107.04890	2.6
107.08581	10.8
109.06471	2.1
109.10140	9.3
111.04486	2.8
111.08052	14.5
113.09653	13.3
117.07028	4.0
119.08568	12.5
121.06493	1.9
121.10124	9.5
123.08081	2.6
123.11727	2.7
131.08493	3.6
133.10104	12.2
135.11710	3.1
145.10135	2.6
147.11662	11.4
149.09610	7.5
149.13286	2.7
151.11169	7.4
157.10080	2.1
157.26762	1.9
161.13196	3.1
163.11172	2.0
165.12703	21.6
177.93892	1.8
179.14272	3.2
228.86700	2.0
259.20590	2.2
277.21567	32.8
295.22552	30.8
330.42255	2.1
350.24100	2.2
351.25278	30.3
368.25064	2.7
369.26251	100.0
385.42468	2.4
531.31641	2.1
533.74023	2.2
728.35175	3.2
730.55176	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	728.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55831	1.7
51.71112	1.8
54.07390	1.6
55.01866	8.4
55.05503	17.9
57.03424	4.7
57.07062	4.4
61.02917	12.4
62.38800	1.9
63.96733	1.6
67.05487	24.5
68.93328	1.6
69.03426	2.7
69.07053	11.8
71.04968	3.0
71.08619	10.7
73.02886	1.5
74.28162	1.6
79.05482	13.0
81.03404	8.6
81.07046	31.2
83.04996	1.9
83.08607	13.0
85.02888	11.7
85.06526	2.6
85.10165	11.8
87.15603	2.0
91.03954	8.0
91.05441	19.4
91.23429	1.7
91.56557	1.8
93.07030	22.0
93.87910	1.7
95.04939	10.0
95.08594	10.5
97.06490	2.8
99.08072	7.7
105.07016	18.2
107.04890	2.6
107.08581	10.8
109.06471	2.1
109.10140	9.3
111.04486	2.8
111.08052	14.5
113.09653	13.3
117.07028	4.0
119.08568	12.5
121.06493	1.9
121.10124	9.5
123.08081	2.6
123.11727	2.7
131.08493	3.6
133.10104	12.2
135.11710	3.1
145.10135	2.6
147.11662	11.4
149.09610	7.5
149.13286	2.7
151.11169	7.4
157.10080	2.1
157.26762	1.9
161.13196	3.1
163.11172	2.0
165.12703	21.6
177.93892	1.8
179.14272	3.2
228.86700	2.0
259.20590	2.2
277.21567	32.8
295.22552	30.8
330.42255	2.1
350.24100	2.2
351.25278	30.3
368.25064	2.7
369.26251	100.0
385.42468	2.4
531.31641	2.1
533.74023	2.2
728.35175	3.2
730.55176	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	727.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
54.54818	0.2
54.82111	0.2
55.01855	0.3
57.03424	2.6
60.86037	0.2
61.02908	1.2
69.03065	0.4
69.03415	6.1
70.06572	0.3
71.04974	0.2
73.02885	0.8
81.03400	2.3
85.02419	0.4
85.02892	8.1
87.04442	1.0
91.03902	0.3
97.02875	3.9
99.04413	0.5
103.03892	0.4
109.02853	1.4
115.03928	1.2
119.04929	1.1
120.05633	0.2
121.02847	7.7
127.03876	1.5
133.04968	0.4
137.06065	0.3
145.02838	1.2
153.01822	0.5
163.03853	0.9
165.01817	0.4
167.03352	0.4
168.50420	0.3
171.02711	0.7
183.02859	0.5
187.03873	0.3
189.01965	0.2
191.03362	0.3
195.02876	1.7
197.06079	0.3
211.07526	0.3
213.05354	0.4
217.04912	2.0
217.09718	0.5
227.06975	0.3
228.07774	0.2
233.74055	0.2
239.07214	0.3
243.06511	1.6
255.06528	1.6
256.07251	3.0
259.05957	1.5
261.03903	1.1
261.08646	0.5
267.06479	1.2
270.05377	0.5
271.05948	8.4
272.88101	0.2
281.08069	0.3
283.05954	31.2
284.06729	25.5
285.07410	2.6
294.05283	0.3
295.05972	12.0
295.09305	0.4
297.07483	5.5
298.04575	0.3
307.05939	1.2
308.06784	1.1
309.07520	4.6
311.05530	1.8
313.07007	100.0
314.07477	0.4
316.05865	0.3
321.96231	0.3
323.05447	1.3
323.09103	4.8
325.07068	2.5
326.58231	0.2
327.08701	0.3
337.06992	14.4
343.08124	2.0
349.07007	0.6
351.08478	2.9
355.08023	1.2
367.08075	4.7
379.08105	4.5
397.09106	9.7
415.10168	12.7
433.11197	17.3
442.19547	0.3
445.11169	5.6
565.15491	11.2
595.07330	0.4
595.16455	8.5
727.20221	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	726.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.0
53.03927	1.4
55.01862	2.0
55.05502	18.0
56.66412	0.8
57.03428	23.1
57.07066	2.0
61.02915	4.1
65.03927	4.5
67.05492	76.1
69.03386	1.1
69.07051	27.0
71.04972	5.0
71.08598	1.2
73.67326	1.0
74.81756	0.8
79.05471	51.2
81.03426	1.7
81.07038	100.0
83.04961	5.6
83.08601	14.2
85.02900	3.9
85.06509	3.4
91.03913	1.5
91.05463	28.5
93.07022	77.5
95.04931	5.5
95.08588	43.6
97.02834	1.5
97.06519	9.6
97.10148	2.1
99.08097	1.6
105.04500	1.0
105.07023	14.0
107.08578	40.9
109.06518	1.6
109.10149	13.3
111.08059	5.8
113.09621	1.4
117.06980	9.4
119.08573	7.7
121.10125	25.3
123.08041	1.5
123.11696	4.7
131.08533	11.8
133.10117	10.1
135.08046	1.0
135.11664	13.8
145.10101	3.9
147.11662	4.3
149.13235	22.9
159.11667	12.8
161.13191	1.5
163.14841	1.2
165.27881	0.9
169.48929	1.3
173.13193	2.2
177.12711	4.1
183.37410	1.0
195.13789	6.1
243.20996	1.8
261.22098	6.8
267.15787	1.2
269.05280	0.9
269.17407	75.9
320.52917	1.2
335.25763	41.5
344.62125	1.0
437.34579	1.1
438.99780	1.0
455.34418	1.7
524.18939	1.1
529.38788	84.8
547.39819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.39
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10561	0.4
53.03936	3.0
55.01869	5.7
55.05503	13.1
57.03425	9.2
57.07065	0.8
60.07452	0.5
61.02918	12.1
65.03936	1.1
67.05141	1.0
67.05490	27.1
67.19571	0.5
69.03408	2.6
69.06673	0.6
69.07050	19.3
71.04969	3.1
73.02884	4.2
79.05472	25.1
81.03406	4.3
81.07036	79.0
83.04951	5.8
83.08605	12.2
85.02882	11.0
85.06543	2.9
91.03930	8.3
91.05456	20.6
93.07025	25.2
95.03954	0.6
95.04948	8.7
95.08581	18.1
97.02857	6.2
97.06495	7.1
97.10143	1.1
99.04432	0.8
99.08080	2.8
103.85163	0.5
105.07004	21.6
107.04945	7.9
107.08577	16.9
109.06498	28.1
109.10126	7.8
111.08058	4.0
117.07000	6.1
119.08548	19.5
121.06483	3.6
121.10124	10.8
123.04395	0.6
123.08031	6.8
123.11687	7.4
125.09594	1.4
127.03887	1.4
127.07564	0.7
129.06967	1.4
131.08545	11.5
133.10101	14.6
135.08035	3.7
135.11668	5.6
137.05922	0.6
137.09592	2.8
137.13220	0.8
139.11188	0.8
143.08504	0.8
145.04927	2.5
145.06433	1.1
145.10114	8.8
146.23958	0.6
147.07961	0.8
147.11661	16.4
147.12746	1.0
149.09589	6.1
149.13223	7.0
151.11185	2.6
155.08505	0.9
157.10135	3.6
159.11638	8.6
161.09520	1.2
161.13229	1.3
163.06055	1.3
163.11157	6.0
163.14793	2.4
165.12711	4.6
169.10190	0.6
171.11557	2.0
173.09628	0.6
173.13231	3.5
175.11133	2.7
175.14851	0.8
177.12735	3.2
179.14220	0.8
185.13370	0.8
187.11115	0.7
187.14954	0.7
191.14282	0.8
193.12207	0.8
197.13197	0.8
229.19450	2.2
239.17906	1.2
247.20470	3.1
255.15958	0.8
257.18869	4.5
269.17337	4.4
275.19983	25.4
293.20996	5.8
338.30734	0.6
349.23663	62.9
350.23871	1.1
367.24713	100.0
368.25159	2.4
493.27689	1.0
511.28622	3.8
517.01062	0.7
529.29724	5.5
691.36359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.3
53.03932	1.2
55.01862	3.9
55.05505	17.6
57.03180	0.3
57.03430	4.5
57.07071	0.5
61.02911	6.5
65.03929	0.5
67.05488	16.7
69.03394	2.4
69.07052	8.7
71.04974	2.6
73.02898	2.4
79.05476	17.2
81.03399	3.4
81.07035	18.0
83.04965	6.6
83.08604	15.4
85.02887	8.7
85.06542	0.7
91.03940	2.8
91.05457	11.2
93.07020	17.9
95.04946	34.5
95.08583	11.1
97.02860	3.0
97.06501	3.4
97.10137	6.4
99.04425	4.7
99.08072	0.4
103.05425	0.4
105.07014	13.6
107.04934	6.1
107.08575	16.7
109.02880	0.5
109.06503	4.2
109.10147	6.1
111.03667	0.4
111.04420	9.4
111.08069	3.8
113.05988	0.3
115.03929	0.4
115.05435	0.3
117.06989	4.8
119.08562	12.0
119.57151	0.3
121.06487	3.7
121.10120	10.4
123.08044	4.1
123.11677	1.4
125.05973	0.7
125.09608	6.3
127.03872	2.1
128.06201	0.4
129.06981	1.8
130.07787	0.4
131.08534	7.0
133.06470	0.6
133.10106	7.6
135.07129	0.4
135.08009	3.5
135.11665	5.4
137.05980	0.4
137.09584	2.1
137.13202	0.4
139.11162	2.1
141.06914	0.5
143.08542	1.7
145.06526	0.4
145.10100	12.0
147.08029	2.0
147.11679	4.9
149.09596	17.1
149.13280	0.5
151.11224	0.5
153.09129	0.4
153.12735	2.0
155.08466	1.1
157.10123	1.7
159.11642	4.6
161.09637	0.6
161.13240	1.5
163.06001	1.3
163.11151	16.7
165.09073	0.4
165.12691	1.8
167.10696	0.5
169.10104	1.3
171.11638	0.7
173.09560	1.5
173.13219	1.7
175.11137	1.1
177.12704	1.8
181.12135	1.9
183.11676	0.7
185.13173	0.4
187.11133	2.4
189.11209	3.0
189.12685	0.5
191.10583	0.5
193.12263	0.6
197.13303	1.7
205.12204	2.8
207.13850	0.5
211.13139	0.4
223.11043	0.5
223.13242	15.0
223.15320	0.6
227.12625	0.4
229.19482	1.3
237.14781	0.4
239.17932	1.7
247.20435	1.1
257.18906	4.0
270.25052	0.3
275.19995	20.8
293.21048	8.5
309.20276	0.4
349.23627	6.0
367.24725	100.0
368.25107	2.2
385.25571	0.6
511.29166	1.1
529.30133	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	724.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
55.05510	23.6
57.03426	30.2
57.07074	3.4
61.02905	3.5
67.05498	66.2
69.07055	15.8
71.04990	2.3
73.30236	2.3
79.05480	52.4
81.03403	100.0
81.03875	4.5
81.07041	65.6
83.04978	2.8
83.08621	27.2
85.02906	5.3
89.76902	2.3
91.05474	44.3
93.07027	44.4
95.04926	28.5
95.08592	46.3
97.06515	3.7
97.10139	3.6
105.07018	30.7
107.04949	10.9
107.08575	27.8
109.06477	3.6
109.10133	20.7
111.08067	3.3
117.07019	3.9
119.08567	25.6
121.10138	27.1
123.04401	2.7
123.11634	4.1
129.06990	5.5
131.08560	21.0
133.10129	12.0
135.11667	15.5
145.10126	14.0
147.11699	16.0
149.09619	4.0
149.13223	4.3
157.10112	4.9
159.11562	4.9
175.11140	5.4
193.12267	20.8
201.16429	3.1
249.14946	3.2
261.22134	12.1
267.15869	67.0
308.98050	3.0
335.25729	55.8
527.37323	35.2
545.38507	20.6
569.38647	3.6
671.42255	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	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66957	0.8
53.03936	4.7
53.12098	1.0
55.01870	13.5
55.05504	39.9
57.03176	1.7
57.03430	30.2
57.07068	2.0
58.32529	0.9
61.02917	23.5
65.03937	2.0
67.05493	84.4
68.05749	1.0
69.03423	12.3
69.07055	38.4
71.01323	1.5
71.04979	10.6
73.02906	12.2
79.05477	62.0
81.03403	30.2
81.07040	100.0
82.03725	1.0
83.04966	17.0
83.08609	26.4
85.02893	33.1
85.06536	6.0
91.03944	14.1
91.05464	52.2
93.07026	77.7
95.04944	40.9
95.08587	40.0
97.02883	17.6
97.06507	24.9
97.10146	16.3
99.04439	4.9
99.08080	5.3
101.02377	1.6
105.04479	1.2
105.07014	45.4
107.04929	16.1
107.08578	57.5
109.02858	2.4
109.06518	12.7
109.10150	19.3
111.04440	6.9
111.08070	8.9
113.05993	1.4
115.05452	2.0
117.06992	21.8
119.04946	1.4
119.08562	38.3
121.06459	8.7
121.10113	26.0
123.08045	6.4
123.11696	6.6
125.09604	16.5
127.03886	7.2
129.06972	8.6
131.08549	30.2
133.06474	1.9
133.10112	31.0
135.08075	7.9
135.11664	29.6
137.05977	2.0
137.09621	6.0
139.07527	1.5
139.11090	1.4
141.06992	1.5
143.08551	5.9
145.04970	2.3
145.06432	1.8
145.10112	25.2
147.08060	2.8
147.11678	18.3
149.09596	27.8
149.10701	1.6
149.13240	22.2
151.11186	2.6
155.08490	2.6
157.10098	6.3
159.11653	34.1
161.09660	1.8
161.13223	5.6
163.05988	1.5
163.11165	20.4
165.12781	1.8
169.10092	2.5
171.10190	1.2
171.11661	5.1
173.11751	2.4
173.13266	8.3
175.11163	4.6
177.12727	18.3
179.14314	7.3
181.12173	2.7
183.11755	1.9
185.13322	1.4
187.11295	1.8
187.14815	1.5
189.11212	5.8
193.12263	2.6
194.12613	1.3
195.13792	9.2
197.13330	4.6
205.12268	1.6
208.30780	1.2
223.13240	12.2
227.12764	5.5
229.14331	6.3
229.19501	2.2
232.54190	1.1
239.17947	4.8
247.20636	2.1
251.16386	4.4
255.15855	36.6
257.18988	11.8
267.15878	7.0
268.16122	2.6
269.17422	91.7
275.20020	38.0
293.21008	15.0
301.39999	1.1
309.20276	1.4
315.12112	1.5
339.17975	1.4
349.23672	77.6
364.92606	1.2
367.24747	70.5
385.25677	5.3
389.17957	1.4
413.21643	2.5
419.16803	1.2
460.27621	5.0
461.28046	2.5
478.28644	2.7
507.17172	1.2
511.28589	8.6
529.29535	1.4
639.69513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01869	6.1
55.05505	16.1
57.03431	8.1
57.07073	0.8
61.02916	12.9
67.05138	1.6
67.05492	35.3
69.03415	4.0
69.07058	15.8
71.04976	1.8
73.02894	4.5
79.05473	30.1
81.03401	4.8
81.07040	84.8
83.04951	6.5
83.08608	16.0
83.11271	0.7
85.02890	15.0
85.06541	1.5
89.09019	0.7
91.03934	10.5
91.05460	23.3
93.07024	25.1
93.07572	1.4
95.04942	12.2
95.08586	23.4
95.90477	0.7
97.02871	7.8
97.06493	7.1
97.10149	1.4
99.08076	3.5
105.07013	29.4
107.04952	8.4
107.08578	17.0
109.06504	33.1
109.10151	8.3
111.08060	3.7
117.06999	6.7
119.08558	23.2
121.06488	6.8
121.10122	12.2
123.08052	8.4
123.11685	3.7
125.09653	3.0
127.03922	1.7
129.06978	4.6
130.07722	0.8
131.08545	13.2
133.06471	1.2
133.10114	18.7
135.07971	5.7
135.11702	7.5
137.09601	3.3
141.07030	1.1
143.08525	1.2
145.04964	1.0
145.10101	11.6
147.08035	0.7
147.11670	21.8
147.12747	1.2
149.09602	9.3
149.13205	7.4
151.11183	1.3
155.08492	0.8
157.10118	4.2
159.11676	9.8
161.09633	1.6
161.13255	3.9
163.05956	1.1
163.11174	8.3
163.14801	1.5
165.12750	6.1
169.10046	1.1
171.11661	1.3
173.09544	1.1
173.13214	5.0
175.11182	3.1
177.12706	3.7
180.58182	0.8
187.11058	1.0
187.14799	1.2
191.14204	0.9
193.12186	3.3
197.13199	1.5
208.33664	0.8
229.19513	3.4
239.17912	3.5
247.20528	4.7
257.18915	4.9
275.20007	42.3
281.52963	0.9
293.21048	6.0
347.17932	1.0
349.23672	100.0
350.23987	1.9
367.24722	84.3
368.24866	0.9
461.28696	1.0
511.28836	1.6
529.29730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.4
53.03934	4.1
55.01857	4.9
55.02074	0.5
55.05500	17.0
57.03138	0.6
57.03423	18.2
61.02905	1.1
65.03920	0.7
67.05141	1.0
67.05488	22.9
69.03416	5.6
69.07056	6.5
71.04968	3.7
73.02866	0.6
79.05472	25.6
81.03395	100.0
81.07034	25.6
83.04959	12.5
83.08601	21.1
85.02892	14.9
85.06522	2.1
87.04447	0.7
91.05457	31.1
93.06430	0.5
93.07015	18.7
95.04942	33.9
95.08590	9.3
97.02847	3.5
97.06513	4.3
97.10140	7.0
99.04419	0.6
99.08071	1.1
103.13754	0.5
105.07006	23.3
107.04936	11.1
107.08571	9.4
109.02860	1.1
109.06509	6.4
109.10150	5.0
111.04433	3.1
111.08061	10.9
113.05967	1.2
115.05422	1.1
115.91061	0.7
117.06990	5.2
119.04922	1.9
119.08560	20.6
121.06492	4.2
121.10118	9.9
123.08027	3.8
123.11685	2.1
125.09600	3.3
127.03889	0.7
129.06973	14.6
131.04900	0.9
131.08533	14.4
133.06461	5.4
133.10094	11.0
135.04288	0.6
135.08049	2.4
135.11670	1.0
137.05972	3.8
137.09572	3.4
137.78612	0.5
142.07730	4.2
143.08546	2.1
145.06479	5.1
145.10112	3.7
147.04445	0.6
147.07994	6.9
147.11670	12.3
148.07474	0.5
149.09610	7.8
152.23619	0.5
153.09166	0.6
153.12689	0.7
155.08542	1.1
157.06505	2.1
157.10092	16.9
159.08095	0.8
161.05972	0.8
161.09612	0.9
163.07506	0.8
163.11166	3.9
165.12717	2.9
169.10100	0.8
171.08055	0.8
175.07619	0.6
175.11130	14.1
181.09926	0.6
185.13156	0.7
189.11165	0.9
191.10658	0.6
193.12207	34.9
195.11752	0.5
197.09618	0.6
197.13187	0.7
209.11609	0.6
211.11354	1.0
211.13258	13.5
225.12634	0.7
227.12556	0.7
227.14536	0.7
229.14395	1.1
231.13771	0.7
233.15387	0.7
237.12712	0.8
249.14893	2.0
255.13731	2.3
267.15845	70.1
273.14755	5.2
283.15402	2.4
285.16904	11.1
311.03009	0.5
339.23279	0.7
341.21051	1.2
349.21582	2.5
367.22540	6.6
385.23642	7.5
403.24756	1.1
405.24240	0.8
433.25793	10.1
441.26129	4.8
459.27289	49.0
477.28400	30.3
477.35489	0.9
501.27911	0.9
519.28894	1.0
551.11804	0.5
731.92114	0.7
746.44531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01864	5.6
55.05504	21.5
57.03197	0.6
57.03426	6.6
61.02916	7.2
67.05144	0.9
67.05492	23.3
69.03413	9.5
69.06678	0.9
69.07051	24.6
71.04977	2.1
73.02885	3.6
79.05473	22.2
81.03398	11.0
81.07034	20.5
83.04959	5.2
83.08600	10.3
85.02890	9.5
85.06498	1.1
91.03944	4.7
91.05457	16.3
92.06299	0.4
93.06418	0.6
93.07018	16.5
95.01326	0.6
95.04944	8.8
95.08585	8.6
97.02862	13.1
97.06513	3.8
97.10152	12.6
99.04440	0.8
99.08118	0.5
101.02348	0.5
103.05467	0.7
105.07017	14.4
107.04927	6.5
107.08580	14.0
109.02885	0.6
109.06518	3.6
109.10130	9.0
111.04433	0.6
111.08048	3.1
116.04742	0.7
116.06219	0.6
117.06971	6.4
119.04892	0.9
119.08545	10.9
121.06474	2.8
121.10111	5.3
123.08012	3.4
123.11688	1.1
125.05941	0.5
125.09604	9.9
127.03844	1.1
129.05496	0.6
129.06966	3.5
131.04893	0.9
131.08548	8.5
133.06490	3.5
133.10101	9.1
134.07281	0.8
135.08017	4.0
135.11694	2.2
137.09596	2.2
143.08548	2.0
145.04898	0.6
145.10117	5.9
147.08017	6.3
147.11647	3.6
149.09604	2.3
149.13260	0.7
151.11159	3.1
153.09059	0.8
157.10123	2.5
159.08101	0.6
159.11655	2.1
161.09575	3.6
161.13361	0.5
162.10390	0.9
163.11153	2.1
165.40775	0.5
169.10063	0.6
169.12221	1.0
171.10164	0.7
171.11650	2.1
173.11682	0.8
175.11154	2.8
177.12674	1.1
189.11198	4.7
193.12247	4.3
205.12152	2.1
210.31425	0.5
211.13324	1.9
223.13234	20.6
227.12729	3.8
245.18936	1.1
249.14806	2.9
253.14319	2.0
267.16092	1.0
271.15210	0.8
273.18353	8.4
285.16876	8.9
291.19479	73.4
292.19778	0.8
297.16800	0.7
347.22040	4.9
365.23148	100.0
366.23544	2.0
441.69424	0.5
476.26849	1.0
477.27863	0.9
491.26630	0.5
509.27234	1.1
527.28113	3.8
753.44116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.7
53.03928	3.2
54.74094	0.6
55.01866	8.5
55.05507	11.8
57.03423	11.3
57.07045	0.8
57.38995	0.7
59.04984	0.7
61.02668	0.7
61.02922	9.7
65.03934	0.8
67.05496	38.5
69.03410	6.8
69.07052	13.0
71.01355	1.1
71.04967	5.1
73.02895	1.0
76.25587	0.7
79.05473	27.4
81.03411	8.2
81.07040	50.9
83.04963	11.3
83.08607	5.5
85.02891	10.7
85.06517	4.7
87.81659	0.8
91.03939	5.2
91.05466	43.9
92.08640	1.1
92.52420	0.9
93.07022	28.8
95.04946	10.1
95.08592	13.9
97.02862	5.7
97.06520	5.5
99.04431	3.1
105.07017	36.9
107.04928	7.2
107.08582	34.0
109.06505	6.8
109.10148	53.0
111.04430	1.4
111.08055	1.7
113.05974	1.6
115.07552	0.8
117.06985	7.9
119.08554	8.8
121.06472	4.0
121.10130	7.6
123.04434	0.8
123.08038	1.5
123.11693	10.3
127.03920	1.6
127.07491	3.3
128.06274	1.1
129.05469	1.2
129.06969	3.1
131.08554	9.6
133.06493	5.6
133.10114	62.2
135.08008	6.3
135.11653	3.7
137.05962	1.4
137.09595	1.7
143.08546	3.3
145.04910	0.9
145.10123	6.5
147.08058	1.1
147.11694	1.4
149.09590	7.1
149.13211	0.9
151.09955	1.1
151.11165	27.6
155.08565	1.3
157.10118	3.4
159.07982	2.9
159.11678	1.2
159.92261	0.9
161.09584	4.8
161.13229	1.2
163.05847	0.9
163.11188	1.5
168.68710	0.9
169.12213	3.2
171.11682	2.9
175.11136	1.6
177.09126	1.2
179.10724	0.8
187.11134	1.4
189.12622	1.0
215.12814	1.3
245.19016	1.4
253.14296	71.1
263.20135	1.7
269.13901	1.1
271.15353	6.9
273.18491	9.1
283.15112	1.0
291.19464	9.2
329.57278	0.8
347.22144	6.7
365.23172	100.0
383.24146	1.7
454.92386	0.9
477.28433	1.5
495.29242	1.1
527.28326	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	724.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38581	1.1
53.03946	2.3
55.01865	6.0
55.05511	26.0
57.03443	11.2
61.02916	11.7
61.03179	1.1
62.84181	1.1
65.32108	1.4
67.05493	31.3
69.03438	9.7
69.07057	24.8
71.04964	1.8
73.02899	1.8
79.05480	29.2
81.03391	15.5
81.07041	32.7
83.04967	7.9
83.08601	13.9
85.02881	10.7
85.06529	2.3
91.03931	6.8
91.05456	25.4
93.07010	24.4
95.04953	14.3
95.08582	13.7
97.02870	10.3
97.06503	1.9
97.10152	14.9
105.07011	22.1
106.14441	1.4
107.04967	11.2
107.08569	17.8
109.06525	3.2
109.10123	13.5
111.04420	2.9
111.08090	2.5
117.06993	9.4
119.08549	18.3
121.06496	7.1
121.10137	10.5
123.08054	2.5
123.11700	2.3
125.09621	11.0
129.06906	4.0
131.08546	10.6
133.06476	2.9
133.10110	10.5
135.08023	2.8
135.11711	5.4
137.05954	2.5
143.08557	2.2
145.10117	8.0
147.08052	8.7
147.11676	8.4
149.09602	3.2
151.11183	1.7
157.10112	1.6
161.09660	2.1
163.11147	4.8
165.09137	2.3
175.11198	1.6
189.11212	2.6
191.10979	1.4
193.12280	5.3
193.59293	1.7
205.12206	1.9
209.11761	2.0
211.13301	1.6
223.13271	21.1
227.12772	3.4
245.18956	1.8
249.14709	2.4
253.14299	3.0
267.15891	7.5
269.17654	1.7
271.15207	1.8
273.18481	11.5
285.16913	13.6
291.19476	99.7
301.16534	2.0
346.40552	1.5
365.23184	100.0
432.20139	1.3
477.28220	7.4
495.29785	2.9
559.52911	2.0
747.71124	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49566	0.2
53.81229	0.3
54.81221	0.3
57.24009	0.3
75.10577	0.3
77.32800	0.3
87.76086	0.3
195.91660	0.3
219.02678	0.4
228.06158	0.3
316.12183	0.4
353.96350	0.4
381.07870	100.0
382.08209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61718	1.7
53.03933	14.2
54.46083	1.9
55.05490	12.3
56.96545	14.7
57.03422	14.7
61.02919	3.8
61.24294	2.0
67.01849	3.2
67.05500	18.3
69.03419	16.5
69.07042	3.5
71.01364	1.9
71.04977	4.6
73.02893	11.4
78.09818	2.5
79.05457	14.0
80.05790	2.2
81.03398	35.4
81.07038	20.4
83.04981	4.9
83.08580	3.1
85.02895	55.0
86.71227	2.1
91.05483	16.6
91.05928	2.1
93.07009	9.5
95.04951	13.5
95.08582	9.7
97.02892	17.2
99.04422	40.4
103.03928	16.3
103.05458	2.8
105.07001	13.5
107.04930	9.6
107.08566	5.4
109.02859	47.8
109.06517	8.5
109.10110	2.9
117.07001	4.4
119.04922	9.3
119.08551	10.5
121.02833	4.1
121.06478	2.9
123.04419	5.4
123.11657	2.4
127.03895	56.4
129.06981	2.5
131.04886	9.3
133.06479	4.0
133.10106	4.6
135.04395	9.6
135.08095	2.7
137.05965	15.7
138.06267	2.2
145.04933	14.1
145.06496	2.4
145.10133	3.9
147.04391	34.7
147.11700	4.8
149.02386	3.6
151.03896	4.8
153.01814	64.2
159.08043	2.2
161.05995	4.5
163.03865	2.3
163.07481	4.8
165.01814	11.6
167.03488	3.0
171.02867	43.3
175.03880	3.0
177.01796	23.8
177.05548	2.8
182.41803	2.4
183.02925	9.2
187.03835	5.3
187.05998	3.4
189.01842	4.2
189.05330	3.1
191.03358	25.6
195.02855	100.0
207.02910	3.0
209.04262	2.4
209.09686	2.4
213.05455	2.8
215.03381	11.2
219.02873	26.6
223.09813	2.8
231.02888	4.4
233.04317	4.9
234.84644	2.4
237.03986	4.6
241.08769	3.7
241.11044	38.6
243.02895	5.3
249.03812	4.5
259.12122	71.4
261.03891	36.1
267.08929	2.9
271.08026	3.6
273.07504	35.9
275.19907	3.0
279.73749	2.4
285.03928	5.6
285.10052	31.5
297.07489	13.8
303.05060	3.9
303.11218	23.7
315.08353	21.6
327.04755	3.0
339.08585	10.6
351.08234	3.0
363.08344	11.1
381.09729	23.7
399.10849	2.9
415.20963	3.9
423.10394	2.6
441.22427	12.9
489.24411	4.2
490.25131	4.7
495.22601	46.7
507.25607	13.5
508.25821	10.5
525.26672	20.3
526.27026	11.8
567.12878	2.6
601.99060	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	723.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29367	1.1
54.81544	1.2
55.05473	1.2
57.07060	7.4
61.02911	3.0
67.05492	8.4
67.83038	1.3
69.03413	2.2
69.07071	1.5
69.22235	1.1
71.08613	3.2
73.02902	2.4
79.05462	2.6
81.07049	9.7
83.08640	1.5
85.02877	2.4
88.73871	1.3
93.07025	3.1
95.08582	6.2
96.51839	1.5
97.02862	2.8
105.05743	1.2
106.17940	1.3
109.10136	1.7
119.08540	1.8
122.14717	1.4
135.11662	2.6
145.10141	2.2
163.11142	2.4
227.12856	1.5
237.53340	1.4
249.10896	9.6
255.91374	1.4
467.18747	12.6
467.37042	1.8
497.30807	6.4
507.40430	1.6
723.42676	100.0
724.42761	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64775	1.9
53.03927	3.3
55.05510	24.4
57.03429	29.5
57.07070	41.0
61.02898	4.9
67.05189	2.7
67.05492	44.0
67.22790	2.1
69.03410	4.6
69.07051	20.4
71.04979	3.7
71.08614	30.4
78.53028	1.8
79.05095	2.2
79.05472	27.7
81.03404	55.7
81.07042	43.1
83.04974	16.2
83.08603	27.8
85.02884	26.1
85.10163	12.7
85.12323	1.9
91.05463	33.3
93.07037	21.9
95.04958	26.7
95.08586	27.2
95.66647	1.9
97.02856	4.7
97.06500	2.7
97.10139	9.9
105.07007	23.5
107.04948	2.6
107.08547	8.3
109.06509	3.7
109.10168	18.3
111.08064	8.4
119.08578	22.3
121.06522	2.1
121.10131	9.1
123.11695	2.9
129.06990	9.8
131.08530	10.1
133.10110	15.6
138.40340	2.0
147.11668	15.0
149.09595	4.9
157.10091	12.3
157.14485	2.3
165.12723	2.6
175.11147	12.9
184.07416	2.1
193.12193	36.6
199.24747	1.9
211.13284	30.5
267.15784	12.4
285.16943	52.9
313.27328	65.4
465.35391	2.2
505.38721	12.8
523.39868	100.0
524.40259	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	720.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.3
55.01850	0.4
63.43969	0.3
69.03407	0.8
70.06583	0.5
71.10433	0.3
71.68537	0.3
79.05486	0.8
81.03380	0.6
81.07024	0.5
83.04942	0.5
85.02888	2.3
91.05452	3.5
94.04160	1.7
95.04920	0.6
97.02869	1.4
103.03941	0.3
103.05470	1.8
105.07020	1.7
106.29058	0.3
107.04910	1.2
109.06516	1.5
111.04441	0.7
114.36711	0.3
115.05436	1.9
117.07014	0.5
119.04903	2.7
121.06481	1.5
122.03621	5.5
125.05988	0.4
127.03914	1.3
129.07010	0.6
131.04912	3.4
133.02797	1.2
133.06480	1.6
133.10048	0.3
135.04350	0.4
135.08023	0.5
137.05957	100.0
138.06334	1.6
143.04918	3.0
145.06465	0.7
147.04405	1.4
147.08046	0.6
149.05959	2.6
151.03882	1.3
151.07533	4.9
153.05437	0.8
153.06944	0.4
155.04913	0.4
159.08047	0.6
160.05258	0.5
161.05945	11.1
161.09534	0.4
163.07483	4.0
165.06952	4.4
165.09111	0.4
167.08469	1.2
171.08063	0.4
174.06737	0.4
175.07513	7.0
177.09090	1.7
178.07784	0.3
179.06967	1.3
179.08522	2.1
181.06352	0.4
181.08588	2.8
182.07228	2.1
187.07509	3.4
189.07146	0.3
189.09068	1.6
191.06996	0.5
191.08528	3.0
193.06476	5.9
194.07170	2.4
195.07993	1.3
196.08913	0.6
197.09622	1.2
199.07550	0.6
205.06610	0.7
205.08592	2.5
207.07986	2.9
209.09549	0.7
210.06752	4.5
211.07491	0.8
217.08582	0.7
218.07294	0.7
219.08038	4.9
219.09995	0.8
220.08731	0.5
221.05933	12.4
222.06721	2.1
223.07480	0.5
224.08247	4.2
225.09085	9.1
227.07011	0.7
227.10533	0.7
231.08005	0.7
233.09544	0.5
235.07446	2.7
236.08237	2.1
237.05482	0.4
237.09065	2.0
238.06297	1.3
239.10652	2.8
247.07465	3.0
248.08093	0.4
249.08971	0.5
250.06210	0.5
251.06842	0.5
251.10577	5.7
251.23788	0.3
252.07753	2.5
253.06146	0.6
253.08569	10.5
254.09093	0.7
255.06413	1.4
259.07471	0.5
261.09100	0.5
264.07623	2.2
265.08530	5.7
267.10117	11.0
270.08823	2.0
279.10098	14.2
280.10785	1.3
282.09064	0.5
285.11154	28.5
287.12811	0.6
291.10300	0.6
296.10358	1.4
297.11130	7.9
299.12759	5.1
309.10977	0.5
310.11969	0.5
311.12708	29.1
313.14230	1.4
315.12253	1.7
323.12875	0.4
329.13757	22.1
341.13812	3.2
350.19580	0.3
359.14850	1.3
493.22318	0.5
511.22879	0.5
559.47986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.4
67.05473	0.2
71.70138	0.2
78.58186	0.2
79.05447	0.2
81.03403	0.2
85.02863	0.3
91.05437	1.2
103.05424	0.7
105.07043	0.2
115.05404	1.1
116.06192	0.3
117.06986	0.4
119.04936	0.2
127.03902	0.2
128.06200	1.3
129.06961	8.1
131.04875	1.6
131.08533	10.8
133.06487	0.2
137.05934	5.1
138.06299	0.4
141.06961	8.2
143.08528	0.7
144.05644	1.2
145.06410	1.2
146.07228	0.7
147.04411	0.2
148.05168	0.3
149.05965	0.2
151.07516	0.7
156.05670	0.2
157.06450	8.3
158.07228	3.5
159.06729	0.4
159.08012	8.9
160.05167	1.4
161.05898	0.3
161.09569	0.9
163.07483	1.7
169.06421	4.3
169.07649	0.2
170.07182	2.0
173.05894	0.8
173.09558	0.3
174.06708	21.2
175.07491	4.7
177.09010	1.5
178.09393	0.2
185.05824	0.2
186.06712	5.0
187.07486	0.4
188.08327	1.0
189.09052	37.6
190.09462	0.3
191.06966	0.2
191.10631	3.2
201.09059	13.7
206.59329	0.2
207.10182	0.3
219.10107	100.0
220.10406	1.6
220.65862	0.2
237.11110	0.3
271.05859	0.7
389.14233	0.2
506.34360	0.2
557.20764	0.2
567.77344	0.2
610.31201	0.2
721.30762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
54.81812	0.5
55.01860	2.8
57.03424	2.6
57.67971	0.4
61.02910	2.2
69.03414	11.5
71.04955	1.1
71.83979	0.5
73.02892	1.1
79.05466	3.4
81.03405	5.8
85.02892	21.2
91.05457	13.5
93.07072	0.6
94.04150	1.0
95.04961	2.6
97.02870	9.8
99.04433	2.6
103.05448	18.5
105.03368	0.5
105.07013	14.8
107.04942	16.9
109.02870	3.2
109.06494	2.2
111.04484	0.7
115.05433	4.1
117.07012	3.0
119.04924	12.4
121.06481	5.3
122.03644	4.1
122.07272	0.5
123.08062	0.5
127.03887	6.7
128.06177	1.0
129.06981	4.5
130.04088	0.6
131.04906	30.8
131.08530	1.2
133.02838	2.8
133.06480	14.9
135.04439	0.7
135.08034	5.9
137.05956	100.0
141.07039	0.7
143.04878	0.7
145.04938	3.7
145.06479	2.8
146.03683	0.6
146.07182	0.7
147.04390	14.5
147.08043	0.9
148.05173	1.3
149.05952	12.1
149.09647	0.7
150.06731	0.9
151.03889	2.2
151.07524	29.2
154.08633	1.2
157.06493	4.3
158.07231	0.7
159.08041	0.6
161.05948	57.0
161.09583	13.7
162.06735	5.8
163.07513	48.3
165.05467	0.7
165.06992	0.8
165.09084	4.5
167.07100	0.7
167.08476	1.0
169.06526	0.7
173.09538	0.7
174.06606	1.7
175.07495	12.9
177.05492	3.3
177.09079	14.5
179.06960	6.9
179.08180	0.5
179.10622	0.9
181.04932	0.7
181.06413	1.0
181.08484	5.0
187.07510	1.1
187.20645	0.6
189.09061	35.8
191.06923	3.8
193.06427	0.9
193.08488	1.1
193.10107	1.1
194.07199	0.6
195.08057	4.5
195.09966	0.9
197.05888	0.7
203.06961	2.8
203.10611	1.1
207.10129	35.8
210.06689	0.7
212.08363	0.7
215.07031	1.0
217.08595	0.9
219.10178	4.2
221.05917	2.5
221.09769	1.7
221.11749	3.5
222.06659	0.8
223.07513	2.4
225.09070	2.9
227.10596	7.6
229.08577	1.3
231.10213	0.6
233.09659	0.7
234.06871	0.6
237.08984	0.6
239.10719	0.7
241.08667	0.6
245.08083	1.0
249.08897	0.9
253.08476	2.5
253.12164	3.4
255.10056	7.3
257.08011	0.6
261.09052	0.7
265.08481	2.0
267.10144	1.2
269.08218	1.9
272.10388	0.6
275.08990	0.6
281.08414	0.5
281.11606	3.0
281.14447	0.6
285.11148	5.1
287.09570	0.9
287.12656	8.4
291.12302	0.9
293.11771	0.7
297.11108	2.4
299.12714	3.2
305.09872	0.8
311.12854	5.0
313.14291	10.2
323.10843	0.9
325.14117	2.2
331.15338	43.3
332.15500	0.7
341.12125	1.2
343.15216	6.5
361.16409	1.1
368.28391	0.6
457.19635	0.5
458.68478	0.6
704.81067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.5
53.03926	0.6
55.01867	0.7
55.05500	3.6
57.03432	3.9
61.02677	0.4
61.02921	6.9
62.75117	0.4
67.05489	8.6
68.05841	0.5
69.03416	4.1
69.07056	0.9
69.32865	0.4
71.01329	0.4
71.04986	0.5
73.02897	5.5
79.05471	8.3
81.03400	3.5
81.07043	10.3
82.07366	0.8
83.04991	0.8
83.08611	1.7
83.84679	0.4
85.02889	8.8
91.03933	4.7
91.05463	4.6
93.07018	8.7
95.04956	2.5
95.08582	8.8
97.02865	7.9
97.06432	0.4
97.27338	0.4
99.04443	1.0
99.08086	0.6
101.02379	2.5
103.30959	0.4
105.07018	4.0
107.04946	0.8
107.08599	3.0
109.02850	0.5
109.10143	3.1
115.03916	0.5
117.07026	0.6
119.08591	2.5
121.10132	3.4
123.08043	5.2
123.11691	0.7
124.08390	0.9
125.09624	0.5
127.03920	1.0
129.06958	0.6
131.08580	1.9
133.10091	1.9
135.11699	0.7
145.10138	1.0
151.07556	2.5
158.21944	0.4
158.84299	0.4
161.13275	0.5
193.12222	0.7
243.08406	2.2
243.12306	0.8
251.12608	0.6
261.22330	0.6
307.22748	0.6
335.25864	2.4
336.25934	0.8
339.75269	0.5
469.20419	4.5
491.25916	7.2
521.34528	0.6
522.34570	0.7
719.39630	100.0
720.40411	1.7
736.90985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01868	3.4
57.03423	2.3
57.04269	0.4
61.02900	2.4
66.81491	0.4
67.05500	0.4
69.03410	9.5
71.04964	1.0
73.02901	0.8
79.05465	5.1
81.03381	6.3
85.02890	17.7
91.04893	0.5
91.05461	16.4
93.07020	2.2
94.04143	0.7
95.04945	3.4
97.02871	7.0
99.04435	2.1
103.03925	2.1
103.05444	16.2
103.06096	0.7
105.03362	0.8
105.07014	16.5
107.04937	33.0
107.08548	0.7
109.02861	3.4
109.06523	2.2
109.31258	0.5
111.04413	0.7
115.05422	4.2
117.07000	2.8
119.04922	15.6
119.08528	0.6
121.06477	12.2
122.03624	2.9
123.08083	0.5
127.03894	7.6
127.05351	0.5
128.06181	2.0
129.06984	7.4
130.04114	0.6
131.04906	22.2
131.08528	1.0
133.02834	13.0
133.06465	21.0
135.04405	3.4
135.08028	11.4
136.05220	0.7
137.05952	100.0
141.07005	0.6
143.04895	2.4
144.05595	0.6
145.04953	2.6
145.06483	3.3
146.03639	0.8
146.07280	2.4
147.04395	14.5
147.08046	2.4
148.05188	4.1
149.05960	24.1
150.06729	4.7
151.03879	2.1
151.07526	32.8
157.06483	5.0
159.04396	0.9
159.08022	1.6
160.05145	1.8
161.05948	92.4
161.09575	24.5
162.06715	5.0
163.07504	58.8
165.05461	4.2
165.06879	1.7
165.09071	5.9
167.07007	4.3
167.08524	2.9
169.06442	2.3
171.07991	0.8
173.05910	1.0
174.06760	5.0
175.07489	12.6
175.08878	0.6
177.05440	6.4
177.09055	4.9
178.07753	0.5
179.07007	12.7
179.08435	0.8
179.10638	0.7
179.58356	0.5
181.06378	0.7
181.06888	0.7
181.08566	11.4
181.10097	0.8
183.10110	1.6
185.06001	0.7
187.07460	3.5
187.13531	0.5
189.09067	54.1
191.06996	8.1
193.06471	1.1
193.08539	1.8
193.10095	1.8
194.07216	0.5
195.08011	5.5
195.09967	1.6
197.05923	2.1
197.09660	0.6
199.07469	0.6
201.09117	2.5
203.06985	5.6
203.08603	0.8
203.10568	0.5
205.08583	1.8
207.10129	61.3
209.05956	0.4
209.09460	0.5
211.07481	1.7
212.08376	0.7
215.07016	3.8
217.08607	2.1
219.10135	4.9
221.05850	3.0
221.09592	2.1
223.07507	2.6
224.08185	0.8
225.09004	2.6
225.11169	1.9
227.10611	7.0
229.08611	3.1
231.10060	0.9
233.07851	0.9
235.07428	1.7
237.09087	0.9
239.07037	0.8
240.07887	0.7
241.08508	1.7
245.08089	1.8
247.09573	1.1
249.08922	0.8
249.11208	1.1
253.08601	3.5
253.12148	4.8
255.10136	6.0
257.08069	1.9
261.11398	0.6
263.09036	0.7
265.08472	0.7
267.10059	2.4
269.08008	2.0
272.10358	0.8
273.11179	4.3
275.09018	2.0
275.12564	0.5
281.11731	0.9
282.08539	0.5
284.10559	0.8
285.11151	7.5
287.12683	9.2
291.12228	9.6
293.10156	2.8
297.11005	4.2
299.12701	2.0
305.10098	0.7
307.09293	0.5
309.13214	2.1
311.12057	3.6
313.14267	10.6
323.11255	2.3
325.14053	0.8
331.15329	41.5
341.12189	0.7
343.15326	9.0
361.16376	0.6
457.18472	0.8
469.18445	1.7
749.91913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20105	1.2
54.81636	1.2
55.05495	1.9
56.57765	1.2
57.23201	1.1
62.98573	1.2
63.40795	1.2
66.50520	1.1
67.05480	2.8
83.08592	1.4
91.05426	1.6
93.06974	1.9
95.08596	2.0
97.06500	1.3
107.08592	1.3
154.48088	1.3
214.41602	1.6
223.08856	1.5
223.12192	1.6
225.13814	5.6
237.13855	2.1
251.08075	2.2
280.50119	1.3
403.58987	1.5
417.16870	1.8
418.17734	2.0
432.19574	2.1
433.20047	2.6
447.21835	12.2
459.21844	1.7
475.21140	29.3
476.21973	5.2
535.23285	19.5
547.23071	1.8
549.24738	2.2
561.24988	12.8
562.25415	5.7
563.25665	1.5
603.46338	1.7
621.19653	1.4
621.27136	21.9
622.27795	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	719.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22723	1.9
54.32432	1.5
57.13558	1.6
64.32791	2.1
67.05504	2.6
87.48460	1.7
92.08703	3.6
104.81890	2.1
135.38231	1.9
174.92714	2.1
221.12663	2.1
223.12305	2.6
225.10472	2.3
237.13872	2.1
249.13721	2.3
406.15717	2.1
417.17035	4.0
431.18408	2.4
433.19757	3.5
447.21643	10.7
475.21249	42.4
476.21954	8.8
528.21240	1.8
535.23218	25.1
561.24799	3.7
562.25122	14.1
621.26929	13.5
621.46820	2.2
622.27869	100.0
722.26654	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	719.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
57.03417	1.2
60.97019	1.1
61.02917	2.8
65.72974	1.3
67.05483	9.1
69.03416	2.4
69.07055	1.8
73.02878	2.7
79.05460	1.8
81.03381	1.7
81.07029	9.5
83.08617	1.4
84.97431	1.2
85.02889	7.7
91.03940	2.3
91.05485	2.1
93.07033	3.1
95.08588	5.9
97.02870	7.3
99.04456	1.9
101.02374	1.7
105.07025	1.6
107.08589	2.6
109.02814	1.7
119.08559	1.7
121.10130	1.4
125.12128	1.4
135.08083	1.9
137.06035	5.2
141.64177	1.4
148.80193	1.4
198.95531	1.9
221.07861	9.7
439.15540	11.9
519.29926	1.6
521.30695	7.3
537.08527	1.8
581.93524	1.8
719.39752	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	719.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.3
53.03954	0.5
53.52319	0.3
55.05503	1.6
55.55896	0.3
57.03442	2.5
61.02916	5.4
67.05494	4.5
69.03412	3.7
69.07047	1.6
71.04974	0.5
73.02907	4.0
77.28045	0.3
79.05485	3.1
81.03400	3.3
81.07048	4.2
83.04903	0.4
85.02892	7.2
91.03930	3.6
91.05464	5.8
93.07018	4.7
95.04960	0.7
95.08588	3.4
97.02870	5.7
99.04462	1.2
101.02382	2.0
103.03928	0.3
105.07024	1.7
107.08603	1.6
109.02913	0.5
109.10148	1.7
119.08554	4.9
121.10129	0.8
127.03914	1.3
131.08569	0.5
131.76208	0.3
133.10098	0.5
135.11678	0.7
137.09641	1.9
145.04903	0.4
146.23837	0.3
147.08025	0.3
151.46555	0.3
165.09138	1.7
188.17230	0.3
223.09454	0.7
243.08434	2.5
244.60786	0.4
279.11972	0.5
283.97296	0.4
322.16064	0.3
335.25708	0.6
441.17218	8.9
519.29254	3.9
603.40228	0.4
718.45837	0.4
719.39618	100.0
720.39886	1.8
740.39923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
53.71574	0.3
54.99754	0.4
55.01854	0.5
55.05490	2.1
56.05027	1.7
57.49659	0.4
60.04497	0.5
63.76023	0.4
65.90822	0.4
67.16853	0.4
67.25716	0.4
69.03406	2.3
70.06576	1.0
75.86778	0.3
80.05000	0.5
80.72982	0.4
81.03382	1.0
82.06560	31.1
83.06063	1.0
84.04488	13.3
84.08134	5.2
85.02895	0.5
96.04465	12.9
97.02867	2.8
98.06036	6.3
99.04407	0.7
100.07599	1.6
101.39600	0.4
102.05521	2.9
108.04459	0.7
109.02873	5.2
110.06026	1.8
114.05484	0.4
116.07062	5.7
126.05485	15.6
127.03940	0.9
128.07051	100.0
129.06561	1.5
130.04999	3.1
138.05476	78.4
139.09779	0.4
144.06537	14.8
145.09723	3.0
147.07664	0.7
153.10217	2.6
167.11758	0.6
168.06523	11.5
173.09180	45.0
186.07587	11.3
191.10274	0.9
193.09692	3.3
199.10747	12.3
211.10689	1.9
221.09125	0.5
227.10295	0.7
227.46841	0.4
230.10255	0.7
239.10217	14.5
244.12923	2.8
245.11295	0.5
257.11273	2.6
258.09641	1.0
262.13907	15.5
266.11273	0.5
284.12283	3.0
301.13870	7.4
302.13379	22.8
328.14981	1.0
329.10004	0.6
329.13309	3.8
373.17078	0.7
391.18121	12.9
427.18124	0.7
445.19302	4.0
534.23975	9.1
630.25763	2.2
701.29321	0.8
719.30969	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	719.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.0
57.89426	0.9
59.51819	0.8
61.45812	0.9
66.48638	1.1
81.07049	4.5
83.08633	1.7
91.05441	1.5
92.08634	4.9
93.07018	1.3
95.08627	1.4
99.04284	1.3
119.08620	1.4
133.54593	1.1
209.10547	1.3
223.12410	1.5
225.10361	1.5
225.13869	5.9
235.12198	1.4
251.08104	1.9
403.14993	2.8
417.16980	4.9
418.17709	2.3
431.18463	2.7
432.19223	2.1
433.19855	2.3
447.21820	13.0
475.21268	25.7
476.21979	2.3
503.21274	1.5
535.23242	16.5
547.22906	2.0
561.24573	5.9
562.25311	2.0
563.26495	2.6
603.45703	1.6
621.26892	13.9
622.27771	100.0
719.44086	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.76334	0.4
56.00617	0.6
61.02913	0.6
68.34059	0.5
69.03413	1.9
69.25906	0.4
70.06553	0.6
77.85045	0.4
79.05439	0.5
83.04992	0.8
85.02892	5.0
91.05452	2.0
94.04158	0.9
95.04906	0.5
97.02850	1.1
103.05445	3.6
107.04939	2.0
109.06470	2.2
111.04428	2.5
115.05448	3.1
117.07006	1.0
119.04927	0.7
122.02853	0.7
122.03600	5.8
124.10204	0.6
125.05967	3.2
127.03946	0.8
128.06223	2.8
128.99623	0.5
129.06975	16.2
131.04906	14.2
131.08588	0.8
133.02872	0.6
136.06137	0.6
137.05952	100.0
137.72153	0.5
143.04900	3.5
144.05669	2.0
145.06448	2.6
146.03615	0.8
147.04390	2.0
149.05966	1.0
151.03853	1.1
151.07494	2.1
153.05476	4.3
153.06583	0.7
157.06459	15.4
158.07243	0.6
160.05196	5.9
161.05933	3.0
161.09572	0.6
163.07509	7.8
171.07979	0.6
172.05162	4.0
174.06747	7.9
175.07513	32.2
177.05457	0.8
177.09125	1.2
180.14586	0.6
185.05919	0.8
187.07509	43.7
189.09064	21.7
191.08519	2.0
199.07544	1.3
203.08525	3.6
205.06847	0.7
205.08516	4.6
207.10066	0.9
211.07478	2.1
217.08588	8.1
219.08015	5.1
219.10179	2.1
220.08775	0.7
221.09454	0.7
231.08041	5.6
235.07481	0.6
236.08257	0.6
239.07037	1.3
240.07774	0.8
240.88568	0.6
247.07498	5.1
248.08267	3.8
250.06761	0.6
251.10544	4.4
255.06468	2.2
256.07208	0.6
259.07458	2.1
261.08994	1.1
263.10605	6.8
264.07791	0.9
265.08563	1.1
270.08804	4.6
271.09561	3.3
276.07809	3.4
277.08426	1.9
279.10028	8.3
283.09573	2.5
291.10080	13.4
292.10895	0.7
293.08063	0.7
296.10294	3.9
297.11307	0.8
307.09235	0.6
308.10318	0.9
311.12692	18.9
317.15353	0.6
323.12704	17.6
329.13840	3.5
341.13763	35.8
359.14774	2.0
359.90591	0.6
394.69669	0.5
417.75735	0.6
503.18753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.2
53.03927	0.2
55.01864	0.4
55.05527	0.3
57.03423	0.4
58.32107	0.2
65.03924	0.2
67.05513	0.4
68.78125	0.3
69.03402	0.5
70.06592	0.3
70.23096	0.3
79.05471	1.2
81.03389	0.4
81.07015	0.6
83.07590	0.3
85.02904	1.7
86.09731	0.2
88.24195	0.3
91.05457	3.9
93.07025	0.6
94.04179	0.6
95.04937	0.6
97.02895	0.6
99.04419	0.4
103.05442	1.5
104.84192	0.3
105.07018	1.8
107.04948	1.3
107.08549	1.0
109.06501	1.2
111.04408	0.2
115.05425	1.8
116.06250	0.4
117.07012	2.3
119.04898	2.0
119.08530	0.4
121.06491	1.3
122.03625	3.0
123.08067	1.8
127.03867	0.3
128.06171	1.9
129.06978	12.2
131.04907	3.4
131.08542	12.9
132.05696	0.3
133.06450	1.0
133.10101	1.2
135.08038	1.0
137.05956	60.2
138.06308	0.3
141.06976	7.1
143.04892	1.1
143.08539	0.4
144.05693	1.1
145.06432	2.3
146.03604	0.4
146.07243	1.2
147.04465	1.0
147.08069	0.4
149.05981	1.1
149.09604	0.7
149.58672	0.3
151.03860	1.1
151.07509	13.9
153.06912	0.3
157.06448	10.9
157.10071	0.4
158.07239	3.5
159.08023	11.6
160.05121	2.3
161.05945	7.7
161.09566	2.3
162.06705	0.3
163.07494	3.5
165.07048	0.6
165.09030	0.6
167.07027	0.3
169.06422	5.5
169.07706	0.4
170.07224	1.6
171.08047	0.4
173.06042	0.4
173.09683	0.4
174.06729	22.5
175.07503	8.2
175.11153	1.3
177.05432	0.3
177.09087	3.1
179.07056	0.5
179.08525	0.5
181.06461	1.4
186.06709	6.4
187.07487	1.7
188.08278	1.3
189.09068	41.2
190.09349	0.3
191.06969	0.4
191.08800	0.4
191.10641	3.5
193.06462	0.5
194.07233	1.2
195.08333	0.6
195.10109	6.6
195.11728	0.4
199.07596	0.4
200.07213	0.3
201.09087	16.1
205.06474	1.3
205.08345	0.3
206.07024	0.3
207.07985	0.4
207.10098	1.4
209.09586	0.4
210.06657	0.4
219.10123	100.0
220.10477	0.6
221.05905	1.0
222.06702	1.0
223.07431	0.3
224.08247	0.3
225.09117	1.7
227.06903	0.4
231.08109	0.4
233.05849	0.6
234.06668	1.3
235.07513	0.6
237.09058	2.9
237.11205	1.0
239.06892	0.3
239.10495	0.3
240.07828	0.4
241.08591	0.3
247.07373	0.4
249.09029	1.3
250.06233	0.5
251.10658	0.3
252.07793	0.4
253.08524	2.1
261.09012	0.5
262.06134	0.5
264.07855	0.4
265.08490	7.0
267.10049	1.3
268.07117	0.3
269.08026	0.5
273.11105	1.0
277.08569	1.7
278.09125	0.4
279.10059	1.4
281.08041	0.5
283.09445	1.8
284.10568	0.3
285.11185	3.8
289.08670	0.3
291.10223	0.4
293.11829	0.3
295.09750	0.5
295.13409	0.3
296.10333	0.5
297.11197	7.1
299.12622	0.5
305.11533	0.4
309.11255	2.2
311.12741	4.3
317.13675	1.7
321.11084	0.4
323.12610	1.6
327.12094	1.1
335.12769	0.3
337.14410	0.6
343.15323	4.0
355.15323	0.6
355.85638	0.3
357.18692	1.1
358.18863	0.4
367.15137	0.3
375.16513	0.3
459.17822	0.4
461.19449	4.2
473.19360	0.4
479.20563	12.0
491.20480	7.4
509.21881	2.1
677.11432	0.3
718.47302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21058	1.1
55.01869	2.5
55.05511	14.7
57.03437	13.4
57.07071	45.1
61.02919	1.6
67.05495	23.9
69.07054	14.2
71.05049	1.3
71.08615	30.9
71.68050	1.3
73.02904	1.5
73.62801	1.2
79.05477	19.5
81.07036	32.6
83.04985	1.9
83.08616	17.1
83.46855	1.6
85.02896	2.7
85.09727	1.6
85.10156	13.9
89.05992	2.7
89.92387	1.3
91.05465	7.9
93.07020	38.0
93.07567	2.0
95.04949	9.1
95.08583	57.9
97.02859	3.4
97.06532	2.5
97.10143	5.5
99.04449	5.6
100.32026	1.9
103.07591	1.7
105.07014	7.9
107.04945	7.3
107.08572	34.0
109.10141	11.6
109.91092	1.4
117.07005	9.4
119.08556	10.8
121.06498	8.9
121.10121	19.0
123.11806	1.4
125.05947	2.3
133.10159	3.4
135.08067	2.5
135.11670	57.7
139.07603	1.9
145.10110	40.5
151.62733	1.4
153.12727	1.6
163.11154	74.5
163.12491	3.0
180.34834	1.6
181.12228	9.5
187.26768	1.8
209.11713	1.9
227.12752	65.3
227.14864	2.9
239.23767	1.3
257.24722	1.8
283.12271	2.7
283.15363	76.0
313.27310	93.8
422.36060	1.5
475.21030	3.1
521.38287	100.0
622.27850	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	718.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75697	0.6
55.01870	0.9
59.25087	0.6
63.02849	0.7
64.30352	0.6
69.03403	1.0
78.50739	0.6
80.02655	0.6
80.15107	0.6
81.03410	0.7
81.07029	0.7
85.02877	3.5
91.05474	1.3
92.63203	0.7
99.63536	0.7
103.05447	5.3
109.06492	1.6
111.04436	1.3
115.05440	1.6
117.07011	1.2
118.56716	0.6
122.03638	4.2
125.05952	1.0
128.06181	3.3
129.06984	18.6
131.04918	14.3
131.08530	1.0
137.05956	100.0
140.33891	0.7
142.93951	0.6
143.03899	0.9
143.04921	3.6
144.05696	1.5
145.06465	2.9
147.08064	1.4
149.06012	1.1
151.03891	1.1
151.07530	1.0
153.05444	4.0
157.06454	15.7
159.04405	0.8
160.05125	5.0
161.05930	1.6
163.06322	1.0
163.07471	7.4
171.08038	1.0
172.05177	4.4
173.05905	0.7
174.06772	8.3
175.07506	29.0
187.07501	45.0
189.09059	20.4
199.07457	0.7
203.08517	3.4
205.08603	3.3
207.10072	0.9
211.07460	1.1
217.08516	8.0
219.08003	3.8
219.10048	1.2
220.08824	0.9
231.07997	5.2
235.09525	0.7
236.08211	1.1
239.06805	1.0
247.07516	3.6
248.08194	5.0
251.10582	2.9
259.07431	1.1
261.08939	1.0
263.10602	4.5
265.08594	1.1
270.08875	3.3
271.09595	3.6
276.07831	1.5
277.08618	1.3
279.10049	8.0
283.09512	3.8
290.22830	0.8
291.10068	11.6
293.08029	1.2
296.10391	3.5
308.10339	1.4
311.12753	16.3
323.12714	14.8
329.13730	4.5
341.13757	32.5
357.15448	0.8
359.14841	1.5
370.71893	0.8
385.21359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69148	0.2
53.03931	0.3
53.29070	0.2
55.01866	0.6
61.02909	0.3
65.03922	0.5
66.55506	0.2
66.56176	0.2
69.03403	1.4
71.04972	0.3
72.08118	0.3
76.93024	0.3
79.05473	0.6
81.03372	0.4
81.07040	0.5
83.04959	0.4
83.84669	0.2
84.63571	0.2
85.02893	3.8
91.05458	1.9
93.03356	0.3
94.04150	1.4
95.04926	0.3
97.02848	0.7
98.55477	0.3
101.52890	0.3
103.05453	3.2
107.04947	1.4
109.06493	1.7
111.04432	2.2
115.05415	2.8
116.16027	0.3
117.07025	1.4
119.04916	0.5
119.08629	0.3
122.03623	5.2
125.05991	2.1
127.03899	0.5
128.06212	2.7
129.06992	17.0
131.03944	0.4
131.04918	11.2
131.08572	0.5
133.02844	0.3
135.04417	0.5
137.05963	100.0
138.06285	0.4
143.04906	3.6
144.05664	1.6
144.11133	0.3
145.04932	0.4
145.06462	2.1
146.03613	0.4
147.04384	1.5
147.08076	0.4
149.06010	1.4
151.03882	2.5
151.07501	1.8
153.05450	3.8
157.06471	15.5
158.07271	0.5
159.04317	0.4
159.08107	0.4
160.05173	6.2
161.05945	3.3
161.09616	0.4
163.07530	5.2
165.05519	0.3
165.06860	0.3
171.08064	0.4
172.05144	4.5
173.05951	0.5
174.06720	6.4
175.07518	31.4
177.09088	1.6
179.07051	1.1
185.06001	1.2
187.07518	38.3
188.08212	1.1
189.09081	21.0
191.07016	0.4
191.08569	1.3
199.07507	1.5
201.08948	0.4
203.08563	2.7
205.06677	0.5
205.08525	3.4
207.10129	0.7
211.07501	2.1
217.08545	8.6
217.10468	0.4
219.08037	4.4
219.10153	1.4
220.08792	1.1
227.07014	0.7
231.08040	4.0
232.08737	0.7
233.09631	0.6
235.07611	0.4
235.09680	1.1
236.08398	0.6
237.09019	0.5
239.07031	1.6
240.07790	1.3
247.07487	3.5
248.08261	4.3
249.09100	0.7
251.10648	2.4
253.08723	0.3
255.06409	2.4
256.07315	0.4
259.07526	2.4
260.08252	0.6
261.09140	1.2
263.07053	0.3
263.07913	0.4
263.10626	4.9
264.07712	1.2
265.08438	1.4
268.07324	0.6
270.08786	4.5
271.09567	2.9
276.07791	3.0
277.08536	1.6
279.10135	7.3
280.10782	0.5
281.08145	1.1
283.09644	3.2
291.10086	11.2
292.10718	0.7
293.08148	1.2
296.10220	3.0
308.10638	2.1
308.13568	0.3
309.11197	0.5
311.12723	15.5
323.12720	13.6
329.13705	4.1
341.13782	29.7
342.14346	0.4
359.14862	2.1
453.54233	0.3
589.19952	0.3
607.43262	0.3
655.75055	0.3
728.29529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
54.81848	0.5
55.01868	0.6
55.05495	1.6
57.03420	2.9
61.02917	6.0
67.05498	5.8
69.03407	4.0
69.07053	0.9
71.01302	0.4
71.04983	0.6
73.02893	3.2
79.05473	5.7
81.03406	1.9
81.07035	7.1
83.04952	0.6
83.08607	1.1
85.02888	6.1
91.03922	3.6
91.05461	3.6
93.07021	8.5
95.04955	0.9
95.08592	4.2
97.02866	5.6
99.04423	0.9
101.02353	1.8
103.03908	0.5
105.06998	3.3
107.08570	2.2
109.02845	0.5
109.06443	0.4
109.10152	1.0
109.61667	0.4
111.08075	0.4
119.08536	0.9
121.10133	3.0
122.38833	0.4
123.71422	0.5
127.03877	0.8
131.08508	0.8
133.10057	1.5
135.11684	2.7
138.03922	0.5
145.10094	1.0
163.11160	2.7
175.13199	0.4
181.12160	0.6
227.12817	0.6
243.08420	3.0
249.10924	13.6
249.13229	0.8
305.13538	0.8
307.22598	0.5
467.18842	5.9
490.24362	0.5
491.26083	10.3
716.44226	3.6
717.37903	100.0
718.38275	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	717.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
57.03427	1.8
61.02906	7.6
61.52345	1.3
65.94818	1.4
67.05495	3.6
67.30711	1.5
68.22178	1.6
69.03439	2.0
69.07054	2.8
73.02911	2.0
79.05494	8.6
81.03400	2.5
81.07052	3.7
83.08611	1.9
85.02892	3.5
91.03967	1.9
91.05487	2.9
93.07065	7.4
95.05011	1.7
95.08590	7.5
97.02907	3.8
97.10149	2.1
99.04470	2.0
103.15866	1.8
105.07011	1.9
107.08592	7.3
109.67954	1.4
117.10208	1.8
119.08568	1.9
121.10085	2.0
125.44638	1.7
135.11731	2.2
138.56534	2.1
203.86417	1.5
247.02008	1.7
439.19537	9.6
450.80450	1.8
519.29419	3.2
703.37976	1.6
717.41656	100.0
718.42181	2.4
746.31421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05489	0.3
57.03428	0.3
61.02910	0.6
65.03902	0.5
67.05482	0.3
69.03408	1.5
70.06560	0.4
79.05470	0.5
81.07025	0.4
83.04938	0.4
85.02891	3.8
91.05450	1.8
93.03362	0.4
94.04157	1.6
95.04956	0.5
97.02851	1.4
103.05460	5.1
107.04935	1.5
109.06489	2.6
110.55787	0.4
111.04446	2.4
115.05418	2.6
117.06989	1.7
119.04937	0.5
122.03616	5.2
125.05976	2.2
127.03979	0.4
128.06198	3.3
129.06979	18.2
129.07954	0.7
131.04895	12.9
131.08498	0.5
133.02824	0.4
137.05954	100.0
138.06296	0.6
138.47894	0.3
143.04872	4.1
144.05687	1.4
144.40631	0.4
145.04933	0.4
145.06462	2.7
146.03624	0.5
147.04404	1.6
147.08046	0.4
149.05954	1.6
151.03906	1.9
151.07547	2.0
153.05472	3.2
157.06459	14.3
158.07201	0.8
159.04440	0.4
159.08046	0.3
160.05142	6.0
161.05937	2.8
161.09494	0.4
163.07520	5.9
165.05399	0.5
171.07993	0.4
172.05133	3.7
173.05885	0.5
174.06717	7.7
175.07504	35.7
177.05536	0.4
177.09032	1.5
179.06996	0.5
185.05878	0.4
187.07503	44.6
188.08273	0.7
189.09065	23.3
190.09483	0.4
191.06966	0.7
191.08553	1.8
199.07564	1.9
203.08496	3.7
205.08524	4.0
207.10191	0.7
211.07579	1.8
217.08551	10.0
219.08040	5.6
219.10176	1.3
221.09528	0.5
227.07004	0.8
231.07956	4.1
232.08788	0.5
233.09599	0.7
235.09648	0.4
236.08212	0.6
237.09111	0.6
239.06992	1.6
240.07874	0.5
241.08452	0.4
247.07504	3.9
248.08305	5.1
248.57175	0.4
251.10558	3.3
253.08438	0.4
255.06474	1.9
259.07391	1.9
260.08411	0.7
261.08990	1.3
262.09290	0.4
263.10596	5.3
264.07770	2.2
265.08572	1.5
268.07523	0.4
270.08847	5.1
271.09583	3.1
276.07809	2.6
277.08511	0.7
279.10092	8.4
279.12973	0.4
280.10828	0.6
283.09616	3.4
288.14832	0.4
291.10046	10.4
292.10812	0.6
293.08087	1.2
296.10294	3.1
307.09662	0.4
308.10443	1.3
309.11099	1.2
311.12717	16.6
323.12698	13.8
329.13742	3.7
341.13763	33.6
359.14880	2.2
368.07477	0.4
412.78665	0.4
503.19159	0.6
518.73035	0.4
587.41840	0.4
629.51227	0.4
732.27777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18455	0.9
55.05511	1.2
67.05485	1.7
70.06552	1.3
72.80815	1.0
73.63277	1.1
78.69057	1.1
79.05460	1.6
81.03427	2.4
81.07042	1.7
93.07047	1.6
97.06541	1.2
103.05487	1.7
105.07045	1.7
119.04945	1.4
123.08167	1.2
124.07586	8.6
131.04933	1.7
131.95430	1.1
136.84116	1.4
137.05962	10.8
161.05954	2.6
163.26146	1.2
217.08621	2.6
225.10249	5.6
226.11082	1.4
241.13400	2.3
259.14465	2.5
265.13403	1.9
269.09314	1.5
276.96304	1.3
280.12259	1.1
283.10568	1.8
284.11621	7.8
285.12299	44.5
297.12228	2.3
309.12317	1.9
310.13031	1.5
311.13867	1.9
319.16797	2.0
321.16055	1.7
322.12253	1.6
323.14008	2.3
337.15521	1.7
339.16971	33.5
341.28970	1.3
346.15695	5.4
348.17053	1.5
362.11325	4.2
362.15125	4.0
364.16647	1.4
376.12885	5.6
377.17636	1.7
378.18066	15.4
380.19592	1.9
383.19516	9.3
390.14404	10.3
390.18073	3.3
391.15326	9.9
392.16040	5.6
403.14990	2.0
404.16061	9.0
405.16745	18.2
406.17529	67.4
407.18381	4.6
408.19199	20.1
418.17599	13.9
421.12793	1.9
451.17667	4.1
452.18112	29.8
460.22098	29.0
462.23764	18.6
482.19144	4.3
490.23450	2.3
504.24710	1.9
506.23196	43.2
536.24042	1.7
550.25476	18.4
580.26508	60.8
589.26099	1.3
619.27588	12.2
687.33820	7.5
717.34912	100.0
718.36035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01858	0.5
55.05502	1.9
57.03428	2.0
57.07058	0.4
61.02919	5.5
67.05505	5.3
68.48618	0.3
69.03420	3.6
69.07059	1.5
71.01327	0.5
71.04978	0.6
73.02901	4.1
74.16061	0.3
79.05479	5.8
81.03400	2.1
81.07046	6.0
83.08603	0.6
85.02897	4.3
88.75143	0.3
89.12623	0.3
91.03935	3.3
91.05466	2.6
92.09359	0.7
93.07024	5.0
95.04929	1.1
95.08593	4.6
97.02874	4.0
99.04458	1.7
101.02374	2.4
103.05454	1.3
105.07031	2.1
107.04961	0.7
107.08592	4.0
109.02866	0.6
109.10170	1.9
116.50342	0.4
117.07025	1.9
119.04944	0.6
119.08545	1.4
120.02045	1.2
121.06535	0.4
121.10124	1.5
122.10480	0.4
123.11643	0.4
127.03866	1.4
130.04184	1.5
131.04935	2.1
131.08563	0.5
133.02840	0.4
133.10109	0.5
135.04388	1.4
135.08032	4.4
135.11716	0.5
137.06029	0.5
140.64337	0.3
145.05009	0.3
145.10040	0.4
147.04384	2.7
149.06018	0.6
150.06830	0.6
152.13516	0.3
161.06036	1.2
162.06717	7.3
163.03879	5.5
163.07527	3.4
181.08554	0.6
185.04308	0.4
191.03409	1.3
191.06837	1.3
199.09662	3.0
221.07808	10.6
243.08318	2.7
277.10501	2.2
321.07626	1.5
335.25916	0.4
353.10165	2.5
371.11353	1.3
439.15637	9.3
504.54935	0.4
519.29285	6.9
555.32684	0.5
717.38037	100.0
718.38428	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	715.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18550	1.4
52.56658	1.1
53.04777	1.3
54.80996	1.5
55.05507	3.4
57.03431	5.2
66.08145	1.3
67.05497	14.9
69.07069	3.2
79.05470	11.9
81.03410	3.3
81.07036	15.0
83.04954	1.5
85.02927	1.6
85.76880	1.2
91.05457	13.0
93.07024	15.6
94.07345	1.7
95.04922	2.2
95.08603	8.0
97.06490	1.8
102.91142	1.3
105.07030	7.4
107.08607	7.7
109.10154	2.2
113.47466	1.5
119.08563	12.7
120.08942	1.8
121.10159	2.6
123.08108	2.6
131.08569	2.2
135.11722	1.8
137.09618	5.9
143.13510	1.3
145.10159	1.8
145.47130	1.5
147.08055	2.5
149.09639	1.9
165.09143	7.8
173.04404	1.5
193.12183	1.8
216.87492	2.2
239.12839	1.6
241.14359	1.5
268.70853	1.6
285.16968	1.9
307.22610	2.7
333.20468	2.7
335.25717	1.9
349.19925	8.8
389.22916	2.2
500.34512	2.8
517.35028	3.3
518.35565	8.2
564.04285	1.6
715.43811	100.0
716.43927	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.7
54.06625	1.5
55.01864	3.8
55.05501	26.4
57.03427	21.3
57.07083	2.3
58.45043	1.7
61.02916	3.9
62.66502	1.5
65.03922	2.3
65.41750	1.9
67.05492	74.4
69.03406	3.9
69.07051	26.3
71.04981	2.0
79.05470	27.9
79.07858	1.8
81.03403	64.2
81.07037	71.3
83.04963	4.2
83.08611	14.7
85.02886	20.7
85.06481	2.7
91.03926	2.4
91.05458	97.1
93.07025	48.9
95.04943	2.5
95.08582	69.3
97.02879	3.4
97.06504	6.8
97.10153	9.2
99.08058	2.1
105.06999	18.3
107.08573	11.7
109.10135	40.6
117.06947	6.7
119.08554	100.0
119.09398	3.9
121.06478	10.8
121.10134	12.9
121.49410	1.9
123.08066	3.2
123.11652	4.6
129.06950	3.7
131.08517	2.9
133.10132	8.9
135.08058	2.5
135.11714	2.3
135.41992	1.9
137.09584	47.9
137.13280	3.1
147.08046	9.4
147.11702	2.7
149.13191	3.0
161.13190	2.2
165.09073	34.9
183.10149	9.9
239.12674	13.7
257.13809	55.1
281.47845	2.2
337.27298	66.1
427.31982	2.4
501.35394	16.4
519.36670	73.0
520.37061	2.5
588.17523	2.3
645.97888	2.4
719.68744	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	716.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.7
54.06625	1.5
55.01864	3.8
55.05501	26.4
57.03427	21.3
57.07083	2.3
58.45043	1.7
61.02916	3.9
62.66502	1.5
65.03922	2.3
65.41750	1.9
67.05492	74.4
69.03406	3.9
69.07051	26.3
71.04981	2.0
79.05470	27.9
79.07858	1.8
81.03403	64.2
81.07037	71.3
83.04963	4.2
83.08611	14.7
85.02886	20.7
85.06481	2.7
91.03926	2.4
91.05458	97.1
93.07025	48.9
95.04943	2.5
95.08582	69.3
97.02879	3.4
97.06504	6.8
97.10153	9.2
99.08058	2.1
105.06999	18.3
107.08573	11.7
109.10135	40.6
117.06947	6.7
119.08554	100.0
119.09398	3.9
121.06478	10.8
121.10134	12.9
121.49410	1.9
123.08066	3.2
123.11652	4.6
129.06950	3.7
131.08517	2.9
133.10132	8.9
135.08058	2.5
135.11714	2.3
135.41992	1.9
137.09584	47.9
137.13280	3.1
147.08046	9.4
147.11702	2.7
149.13191	3.0
161.13190	2.2
165.09073	34.9
183.10149	9.9
239.12674	13.7
257.13809	55.1
281.47845	2.2
337.27298	66.1
427.31982	2.4
501.35394	16.4
519.36670	73.0
520.37061	2.5
588.17523	2.3
645.97888	2.4
719.68744	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	716.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81751	1.6
55.01850	2.7
55.05502	29.7
57.03426	33.4
57.07059	4.3
61.02901	11.8
67.05490	95.6
68.78870	2.0
69.03410	5.0
69.07059	26.7
71.04979	3.7
71.08627	2.2
72.68683	1.8
73.02873	3.3
79.05472	48.4
81.03404	54.6
81.07038	91.6
83.04959	17.1
83.08602	25.4
85.02889	37.7
85.06562	1.9
91.05464	52.3
93.07021	44.1
95.04943	21.1
95.08584	53.4
97.02859	4.3
97.06506	3.4
97.10170	3.5
99.08083	4.7
100.43279	2.2
105.07023	30.1
107.04942	8.2
107.08553	14.3
109.06506	4.1
109.10128	22.3
111.08045	5.0
113.05951	2.3
115.05396	3.3
119.08547	27.6
121.10116	18.0
123.08074	3.3
123.11694	4.1
125.09605	3.3
129.06985	10.9
131.08551	12.6
133.10101	17.9
135.11658	10.6
137.09572	3.4
147.11636	19.3
149.09599	4.2
157.10081	12.2
161.13222	4.1
175.11121	11.3
193.12234	33.2
211.13239	26.1
217.19522	4.4
235.20581	2.6
241.30481	2.3
267.15833	11.3
285.16922	40.0
286.17242	2.0
309.24146	71.0
367.82852	2.2
501.35410	16.0
519.36688	100.0
520.36688	2.5
655.33496	2.3
717.37598	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.6
53.03926	0.5
55.05500	10.0
56.05034	4.2
57.06804	0.3
57.07064	3.8
60.04504	2.2
60.35680	0.4
65.03930	0.7
67.05144	0.7
67.05493	16.5
68.05015	1.1
69.03397	0.6
69.07053	8.9
69.72613	0.4
70.06563	2.1
71.08601	2.3
79.05053	0.8
79.05473	13.7
80.05000	3.2
81.03376	0.7
81.05770	2.0
81.06601	0.8
81.07036	13.5
82.06551	9.4
83.08601	6.4
84.08039	0.4
85.02884	2.5
85.10179	0.6
91.05456	11.5
93.05771	0.6
93.07026	11.7
94.06543	25.3
95.04923	1.1
95.07326	11.7
95.08566	9.1
96.08101	6.7
97.02857	0.8
97.10155	3.3
105.07018	6.8
107.08572	5.6
108.08097	4.4
109.10120	4.5
111.11718	0.7
119.08554	6.1
121.10110	6.3
122.09657	3.7
123.11694	0.7
128.03590	0.4
133.10094	3.9
133.86563	0.5
135.10374	1.0
135.11665	3.2
136.11136	1.6
139.49651	0.5
147.11620	0.8
149.13255	1.0
210.67673	0.5
233.22578	1.9
239.28616	0.5
245.22658	3.2
250.25224	7.8
254.24406	0.5
262.25235	100.0
263.25589	2.5
272.25769	3.1
280.26331	6.7
363.28519	0.5
504.47330	2.9
516.47644	20.8
517.48474	0.7
518.48938	4.3
534.48669	15.4
535.48590	0.5
548.40155	0.5
599.50159	0.8
696.54041	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	715.402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.6
55.05497	2.5
57.03424	3.3
59.28871	0.6
61.02919	7.1
67.05491	10.0
69.03426	3.1
69.07059	3.1
71.05012	0.7
73.02901	5.4
79.05482	4.0
81.03413	0.7
81.07034	7.3
83.08624	0.8
85.02881	7.1
91.03938	3.5
91.05475	8.4
93.07028	6.4
95.08590	4.9
97.02871	5.5
97.06548	1.1
100.83308	0.9
101.02370	1.0
105.07031	5.0
107.08607	2.9
107.49921	0.8
109.10148	1.1
121.10101	2.8
127.94804	0.7
133.10097	9.1
164.12335	0.8
219.09869	6.8
243.08444	3.9
303.06931	0.9
356.03568	0.9
437.17996	3.7
519.29193	10.3
715.40161	100.0
716.40204	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.551
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.00292	0.5
53.03930	0.7
54.20621	0.3
55.05502	10.3
56.05035	5.4
57.07064	5.2
58.02955	0.5
58.06577	0.7
60.04503	2.1
65.03928	0.4
67.05493	14.3
68.05000	0.6
69.03416	1.6
69.07053	10.4
70.06561	2.4
71.08620	0.9
71.75614	0.3
77.03896	0.4
79.05058	0.6
79.05477	12.1
80.04998	3.4
81.03373	0.5
81.05775	1.7
81.07037	13.8
82.06563	9.7
83.08598	5.8
84.08124	0.5
85.02897	2.5
85.10171	0.8
86.06021	0.5
91.05459	12.1
93.05743	0.5
93.07024	13.0
94.06545	25.2
95.04940	1.5
95.07323	12.4
95.08582	11.2
96.08119	6.2
97.02876	0.9
97.10151	2.8
105.04472	0.4
105.07014	7.8
107.08575	6.5
108.08102	5.2
109.10139	3.9
111.11659	0.4
119.08562	6.8
121.08890	0.6
121.10111	6.6
122.09635	3.8
123.11723	0.5
131.08531	0.4
133.10107	3.9
134.09599	0.4
135.10429	0.6
135.11673	3.2
136.11191	0.7
137.13283	0.5
137.31660	0.3
147.11679	1.9
149.13191	0.8
151.14772	0.5
161.13159	0.6
163.14763	0.6
193.19537	0.4
207.37402	0.4
219.21043	0.6
233.22646	2.8
245.22627	4.6
250.25235	9.3
254.24745	0.7
262.25235	100.0
263.25592	2.2
272.25665	3.9
280.26297	7.5
397.56140	0.4
441.46655	0.4
504.47595	6.1
516.47675	28.9
517.47656	0.5
518.49255	4.5
534.48682	21.4
535.49176	0.6
696.53882	8.8
697.53961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08927	2.3
54.34973	2.1
55.05507	25.9
55.16158	2.4
57.03437	25.1
57.07063	2.9
61.02910	4.2
67.05499	68.1
69.03403	3.2
69.07053	30.8
79.05482	50.8
81.07037	100.0
81.07481	6.0
83.05003	3.1
83.08619	12.6
91.05465	38.1
93.07014	60.3
95.04956	4.0
95.08582	57.0
96.62168	3.2
96.95365	2.5
97.02865	3.6
105.07024	51.6
107.08602	29.2
109.10145	28.3
116.24972	3.4
117.06992	4.7
119.08560	47.6
121.10143	29.9
123.11688	5.0
131.08531	18.6
133.10121	21.0
135.11644	11.7
143.08553	4.6
145.10133	18.0
147.11659	29.5
149.13228	4.3
157.10097	4.9
159.11630	6.3
161.13206	5.0
165.12762	6.7
171.11743	4.7
173.13199	6.5
185.13211	5.9
239.16434	17.7
335.25806	33.6
364.44437	3.3
401.81943	3.4
407.32999	3.9
425.33841	5.5
499.37717	21.1
517.38947	76.9
668.35077	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	714.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07566	4.8
55.05502	35.4
57.03423	11.3
67.05167	8.1
67.05491	90.0
69.07060	29.0
77.47550	5.8
79.05476	68.7
81.03422	6.3
81.07032	100.0
83.08599	32.3
91.05470	60.0
93.07024	68.6
95.08595	79.2
105.07024	57.9
107.08573	39.1
109.10149	13.3
111.15994	6.4
117.07001	14.6
119.08552	31.1
121.10114	26.0
131.08607	21.3
133.10091	25.8
134.51534	6.3
135.08080	7.2
135.11693	13.1
145.10118	11.7
147.11702	29.3
159.11694	13.7
161.13374	6.3
163.71912	6.6
165.03477	6.0
165.12738	8.6
173.13255	6.3
239.16315	12.9
255.12323	7.3
335.25809	26.1
365.96567	7.1
425.34467	10.8
499.37637	27.9
517.39288	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
53.36910	1.2
55.01867	2.8
55.05504	14.9
57.03432	15.6
60.72368	1.1
61.02900	3.2
65.03953	1.4
67.05140	3.2
67.05493	74.8
69.03417	2.9
69.07053	16.0
71.04983	2.5
73.02895	1.4
79.05051	2.6
79.05476	35.2
80.47662	1.2
81.03402	46.5
81.07040	50.8
83.04993	2.3
83.08611	3.5
85.02887	17.3
85.59093	1.4
91.04890	3.1
91.05461	87.2
92.22835	1.4
93.07024	70.8
95.04960	6.8
95.08590	58.2
95.43079	1.3
97.02865	2.0
97.06508	3.3
97.10165	2.1
105.07027	13.3
107.08571	21.2
109.06493	2.6
109.10149	33.3
111.08116	1.7
117.07001	8.9
119.08559	100.0
119.55650	1.3
120.11385	1.3
121.06480	6.6
121.10102	17.6
123.08012	2.3
123.11706	3.3
125.09563	1.7
129.07005	2.6
131.08548	9.0
133.10141	9.7
135.07976	1.7
135.11690	9.4
137.09598	46.2
137.10580	2.4
145.10106	7.1
147.08063	2.5
147.11679	3.3
149.13321	1.4
159.11716	3.5
161.13260	2.5
163.11169	2.0
163.14864	1.6
165.09093	28.4
173.13229	2.6
183.10201	10.8
239.12671	10.0
257.11166	1.8
257.13773	36.7
257.22864	1.7
261.22159	6.9
274.40051	1.4
290.60477	1.5
335.21921	2.7
335.25745	62.4
425.30212	1.9
499.34119	9.4
510.40527	1.5
517.35156	85.7
517.42987	2.8
518.35461	5.6
717.18512	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.3
53.03938	5.9
55.01861	4.1
55.05505	29.0
57.03429	28.1
57.07068	1.7
61.02913	9.6
65.03920	1.8
65.49213	0.8
67.05489	81.7
69.03422	6.4
69.07053	16.9
71.04960	6.3
72.74363	0.7
73.02910	1.9
75.89619	0.9
79.05471	85.3
79.56141	0.8
81.03395	62.0
81.07036	81.4
83.04964	21.2
83.08599	27.0
85.02882	30.2
85.03363	1.6
85.06535	3.8
85.84220	0.8
87.69431	0.8
91.03957	3.1
91.05457	57.2
93.07024	81.9
95.04332	1.2
95.04944	33.6
95.08582	43.0
97.02872	8.6
97.06517	9.0
97.10148	4.4
99.08074	4.1
105.04518	2.0
105.07013	41.3
107.04937	7.9
107.08572	25.4
108.16103	0.9
109.06499	6.5
109.10134	13.2
111.04443	1.3
111.08063	11.6
111.42109	0.8
113.05949	1.3
115.05489	1.3
117.06992	7.9
119.08563	35.7
120.08875	0.8
121.06519	1.2
121.10114	37.2
123.08028	6.0
123.11678	6.2
125.09640	1.8
128.06316	1.0
129.06978	13.0
131.08534	21.7
133.06483	3.6
133.10095	24.1
135.08029	1.5
135.11665	16.6
135.37169	0.8
137.09604	4.1
137.13327	0.9
142.07732	3.8
143.08528	0.9
145.10103	12.7
147.08034	3.0
147.11650	18.7
149.09589	7.8
149.13275	6.0
151.11194	1.4
157.10088	14.4
159.11649	9.9
161.13269	2.1
163.11147	1.0
165.12732	3.3
173.13257	5.8
175.11153	15.4
183.11656	1.3
187.14842	1.2
193.12195	32.9
193.85425	0.9
207.66241	0.8
211.13257	35.3
215.17891	10.1
233.18927	8.3
267.15900	9.6
285.16898	47.9
305.23816	0.9
307.22617	86.1
308.23068	1.2
425.30490	1.0
499.34204	12.7
517.35138	100.0
518.35553	3.8
558.51752	0.8
640.73328	1.1
715.43469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56156	0.5
53.03941	2.7
54.81717	0.5
55.01857	4.2
55.05238	0.6
55.05504	17.2
57.03426	23.1
57.03693	1.0
57.07066	2.6
61.02920	6.9
65.03930	2.8
66.61158	0.5
67.05490	73.5
69.03423	3.9
69.07051	15.2
71.04972	4.2
73.02888	2.3
74.76694	0.5
77.90436	0.5
79.05473	44.6
81.03398	56.2
81.07037	51.6
83.04961	7.9
83.08593	4.9
85.02887	22.7
85.06522	0.9
91.03946	3.1
91.05460	100.0
92.05804	0.6
93.07024	65.4
93.28310	0.5
95.04954	8.2
95.08584	59.6
96.08876	0.6
97.02872	5.7
97.06525	4.5
97.10142	2.1
99.04427	0.7
99.08047	0.9
101.97424	0.5
103.05457	0.9
105.04517	0.8
105.07011	18.8
107.04962	0.9
107.08575	19.3
107.09292	1.0
109.06513	3.6
109.09390	1.0
109.10136	30.6
111.08088	1.3
117.06994	9.2
118.07293	0.6
119.08556	99.4
121.06468	7.9
121.10110	17.6
123.08044	3.3
123.11690	3.7
129.05431	0.7
129.06955	5.2
131.08545	9.0
133.10091	6.3
135.08058	2.8
135.11676	10.3
137.09593	38.3
137.13280	0.5
143.08534	1.1
145.10091	6.2
147.08005	9.9
147.11617	4.3
149.13249	4.4
157.10167	1.2
159.11668	3.9
161.13248	3.3
163.14856	2.4
165.09081	28.7
171.11603	0.7
173.13193	4.9
175.14839	0.6
183.10120	10.5
187.14873	2.4
199.14717	0.5
224.14005	0.6
239.12755	10.0
243.20975	3.1
257.13776	44.8
261.22067	8.6
307.22495	0.8
317.24835	2.3
335.25748	55.0
336.25858	0.7
379.29922	0.8
407.29434	1.4
425.30771	0.8
499.34039	9.9
517.35095	42.2
701.96783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76875	1.1
55.05520	1.7
57.03425	2.7
58.86098	1.5
59.70491	1.0
61.02919	5.8
65.48649	1.2
66.58763	1.2
67.05490	2.3
73.02906	3.0
73.74578	1.4
79.05482	1.5
81.03403	5.3
81.07049	3.0
83.05005	1.7
83.08614	1.3
85.02921	8.7
91.03928	3.1
91.05472	6.5
93.07025	2.6
95.05064	1.7
95.08591	3.0
97.02882	2.1
107.04932	2.0
111.08066	1.3
119.08534	2.1
120.78231	1.3
131.04874	1.5
132.62851	1.3
133.10179	1.5
137.05983	2.8
143.00436	1.6
185.04181	4.5
193.12216	1.6
210.93176	1.6
243.08496	3.1
251.12363	1.6
301.08975	15.1
315.10480	3.2
373.10959	7.2
383.16632	3.2
385.18378	8.8
395.16522	1.8
433.25928	1.7
443.19046	6.4
469.20090	12.0
485.19901	2.5
541.22626	6.1
555.24341	1.6
611.30096	3.2
651.31805	1.6
713.33417	100.0
714.33972	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	713.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76875	1.1
55.05520	1.7
57.03425	2.7
58.86098	1.5
59.70491	1.0
61.02919	5.8
65.48649	1.2
66.58763	1.2
67.05490	2.3
73.02906	3.0
73.74578	1.4
79.05482	1.5
81.03403	5.3
81.07049	3.0
83.05005	1.7
83.08614	1.3
85.02921	8.7
91.03928	3.1
91.05472	6.5
93.07025	2.6
95.05064	1.7
95.08591	3.0
97.02882	2.1
107.04932	2.0
111.08066	1.3
119.08534	2.1
120.78231	1.3
131.04874	1.5
132.62851	1.3
133.10179	1.5
137.05983	2.8
143.00436	1.6
185.04181	4.5
193.12216	1.6
210.93176	1.6
243.08496	3.1
251.12363	1.6
301.08975	15.1
315.10480	3.2
373.10959	7.2
383.16632	3.2
385.18378	8.8
395.16522	1.8
433.25928	1.7
443.19046	6.4
469.20090	12.0
485.19901	2.5
541.22626	6.1
555.24341	1.6
611.30096	3.2
651.31805	1.6
713.33417	100.0
714.33972	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	712.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
53.58900	1.0
55.01863	1.9
55.05510	21.6
57.03178	1.5
57.03432	32.5
57.07065	2.7
61.02905	6.4
64.33427	1.2
65.03934	2.1
67.05495	100.0
69.07059	23.7
71.01347	1.7
71.04964	5.8
71.08607	1.5
77.48755	1.2
79.05479	72.3
80.05822	1.4
81.03396	6.8
81.07040	57.5
83.04975	11.8
83.08606	11.3
85.02846	1.6
85.06525	3.2
91.05467	44.2
91.32299	1.2
92.05791	1.4
93.07024	81.9
95.04939	7.8
95.08590	40.6
97.02899	2.0
97.06511	10.8
97.10146	12.5
99.08053	1.7
105.07015	20.0
107.05547	1.2
107.08582	50.0
109.10151	15.7
117.06992	8.4
119.08555	15.9
121.10141	19.7
123.11665	2.3
131.08511	8.8
133.10107	17.6
134.10449	5.3
135.08028	1.6
135.11674	57.9
137.09599	2.2
145.10095	12.5
147.11671	2.5
149.13223	5.4
157.86551	1.3
159.11572	2.6
161.13202	2.9
163.11140	6.4
163.14819	1.5
173.13225	2.6
175.14789	1.6
181.12160	6.7
225.49174	1.4
249.85011	1.5
253.14249	6.4
255.15865	72.3
261.22052	7.4
268.83914	1.4
335.25748	44.9
336.26105	3.1
337.26370	1.5
416.73044	1.5
514.35809	2.3
515.30023	2.6
515.37280	59.6
650.81445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.9
56.05030	3.1
56.71818	1.8
57.07072	4.9
67.05504	22.4
69.07050	10.2
70.06564	2.9
77.42622	1.8
79.05479	19.9
80.04997	4.3
81.07047	16.5
82.06564	11.6
83.08623	3.9
91.05461	27.5
93.07038	15.6
94.06560	35.7
95.04950	2.7
95.07315	9.2
95.08603	16.3
96.08087	2.6
105.07008	13.2
106.06572	8.4
107.08582	8.7
108.08102	13.0
109.10168	2.6
117.07001	14.0
119.08561	15.7
120.08086	4.2
121.10135	4.4
122.09615	10.7
131.08545	17.8
132.08049	3.1
133.08893	2.9
133.10077	5.1
134.09604	11.9
135.11667	2.2
145.10065	3.9
147.10406	2.9
148.11203	8.8
149.13333	2.2
179.90802	2.4
213.94229	2.4
231.21031	5.2
243.21091	7.9
246.28975	2.9
248.23586	11.1
260.23694	100.0
278.24698	8.3
447.65317	2.4
502.45358	3.1
514.45874	12.8
516.47827	3.1
532.47064	27.4
694.52063	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	712.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39439	0.6
53.00288	1.1
53.03928	3.8
53.12450	0.6
55.01862	4.3
55.05506	21.8
57.03428	13.8
57.07056	1.3
61.02909	3.2
62.02039	0.7
65.03911	1.1
67.05489	56.1
67.79421	0.7
69.03416	1.6
69.07051	15.0
71.04967	3.3
73.02899	1.5
76.56738	0.7
79.05473	67.3
81.03394	4.0
81.07037	53.7
83.04947	4.2
83.08604	13.0
85.02879	3.2
85.06537	1.7
91.05460	25.5
93.07019	79.4
94.07327	1.1
95.04947	12.6
95.08582	63.3
97.02345	0.7
97.02859	5.5
97.06511	4.9
97.10163	1.4
99.04416	4.4
99.08054	1.4
103.05424	1.0
105.04514	1.0
105.07006	17.8
107.04929	10.1
107.07865	1.6
107.08578	38.9
109.06506	4.6
109.10140	14.7
111.04399	1.5
111.08041	1.6
117.06999	14.5
119.08553	16.7
121.06498	8.1
121.10115	32.1
123.08015	1.5
123.11681	3.8
125.05965	3.1
125.09610	1.0
130.07751	1.3
131.08545	7.8
133.10106	10.1
133.36124	0.7
135.08032	1.6
135.11667	58.1
137.09665	1.2
139.07506	1.2
143.08525	1.1
145.10104	34.5
147.11626	3.2
149.13239	1.9
151.11073	0.9
159.11641	3.7
163.11136	54.9
165.93321	0.8
173.13258	3.4
181.12144	8.7
215.17871	6.9
227.12735	51.1
233.18970	6.5
275.20056	1.4
283.12216	1.7
283.15341	50.1
307.22614	100.0
308.22836	1.7
369.99896	1.0
411.23273	0.8
515.33551	89.3
516.33783	1.8
720.75500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	16.6
55.05497	16.1
57.03428	31.1
57.71336	3.4
61.02914	5.3
66.66823	3.8
67.05493	77.1
69.03393	4.7
69.07059	18.0
79.05479	100.0
81.03416	9.3
81.07043	69.4
83.01321	10.3
83.08570	4.9
85.02900	8.7
91.05471	99.4
93.07030	72.0
95.04930	14.6
95.08592	53.7
97.02909	4.5
97.06504	5.9
102.91737	4.2
105.07022	31.0
107.04936	6.4
107.08595	59.8
109.10109	9.2
111.08021	5.3
115.05416	6.0
116.39853	4.3
117.07006	83.5
118.80124	4.1
119.08553	23.9
121.10132	21.9
131.08565	8.9
133.10136	5.8
135.08049	84.6
135.11682	9.6
145.10109	4.3
159.11708	5.1
161.13258	9.2
163.07532	6.2
163.14783	6.5
199.63258	4.5
255.12241	90.4
261.22079	25.0
335.25806	70.5
482.50314	4.5
497.32697	6.0
515.33563	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	712.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44820	0.5
53.00294	0.8
53.03925	2.3
55.01860	10.3
55.05502	16.2
57.03177	0.9
57.03427	16.5
57.07058	1.1
61.02911	2.3
65.03916	1.1
67.05489	57.4
69.03397	2.6
69.07051	12.0
71.04974	5.3
73.02898	0.7
77.03903	0.6
79.05471	73.5
81.03381	3.9
81.07035	47.3
83.01295	1.1
83.04948	3.3
83.08580	6.9
85.02885	3.4
85.06530	3.1
91.04879	0.9
91.05456	28.5
93.03381	0.8
93.07018	59.8
95.04933	6.8
95.08578	36.4
95.09200	0.9
97.02873	9.9
97.06508	3.1
97.10136	2.5
99.00792	3.0
99.04429	18.7
103.05430	1.1
105.07005	13.7
107.04938	19.6
107.08573	75.9
109.02876	1.3
109.06483	4.4
109.10136	14.0
111.04430	4.4
111.08045	1.1
115.05432	4.6
117.06993	51.5
117.78288	0.6
119.04931	2.4
119.06059	0.7
119.08557	11.9
121.06474	18.5
121.10123	15.5
123.08004	1.2
123.11652	3.0
125.09596	7.0
131.08540	6.9
131.43237	0.5
133.06436	1.3
133.10080	6.0
135.08025	90.3
135.11650	10.6
137.09593	2.6
137.13222	1.1
145.06465	11.6
145.10112	4.6
145.51480	0.6
147.11664	3.9
149.13217	5.4
153.09067	10.6
159.11630	4.7
161.13193	2.7
163.07501	74.5
163.14783	3.1
164.53477	0.7
173.13165	4.2
175.14786	1.2
177.16385	0.6
181.08540	15.3
187.14790	1.2
199.09621	77.5
213.18892	0.6
243.21051	4.2
255.12206	100.0
256.12537	0.9
261.22058	17.5
269.81995	0.6
317.24710	3.2
335.25720	73.3
336.25900	0.7
441.29974	0.8
515.33582	63.2
516.34180	1.1
533.34467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.3
55.01863	2.7
55.05499	5.9
57.03423	5.8
59.05004	1.3
59.74267	1.2
61.02907	1.2
65.03935	0.9
67.05514	1.6
69.03420	20.3
69.07047	1.8
70.06559	1.6
71.04989	7.4
71.96283	0.9
73.02886	5.1
79.05461	4.8
81.03395	21.5
81.07028	5.2
83.04967	2.6
83.08598	5.4
85.02890	72.2
87.04468	1.2
91.05473	9.6
93.07030	2.2
94.04172	1.1
95.04938	19.3
95.08595	1.9
97.02875	21.3
97.06510	6.2
99.03770	1.3
99.04434	49.8
103.03926	78.9
103.05398	7.4
105.06996	10.3
107.04920	3.8
107.08578	5.6
109.02861	30.9
109.06508	8.4
109.10113	1.8
111.04474	1.2
111.08088	1.3
119.04893	5.8
119.08581	2.6
121.02901	1.3
121.06473	6.9
121.10137	7.3
122.03664	1.1
123.08044	7.3
127.03894	100.0
131.04863	11.6
131.08533	5.9
133.02888	1.0
133.06496	1.6
133.10114	20.9
135.04379	1.2
135.07951	1.3
137.05956	43.1
139.11119	1.4
141.06984	1.2
145.04948	34.5
145.10089	1.4
147.04391	5.9
147.11655	9.9
149.05981	5.3
149.09525	1.1
151.03917	4.8
151.07556	2.4
153.05469	1.7
153.06966	5.0
153.09067	8.4
155.08562	4.5
161.05951	5.4
163.05992	30.8
163.07526	14.1
163.14832	1.3
165.06956	22.7
165.12714	6.7
167.07076	1.2
169.05019	1.2
171.10173	2.2
173.13211	6.1
175.07500	1.9
179.07056	1.5
179.08566	1.2
181.06458	5.4
182.07178	1.5
183.07991	9.5
187.06024	11.2
187.07466	2.2
189.12643	1.7
191.06950	1.3
191.14250	14.8
193.06462	5.3
195.07994	1.5
199.77222	1.1
205.06871	2.3
209.05907	1.3
209.15283	13.2
210.06779	1.9
210.14752	1.1
211.07498	12.3
213.09081	1.3
221.05980	5.4
223.07620	1.4
225.09138	6.6
226.06253	1.0
227.16368	31.8
228.07816	1.1
242.09290	2.2
253.08499	5.6
271.09763	37.7
277.08530	1.4
283.09656	1.2
285.11267	4.8
287.60208	1.0
289.09088	10.9
295.09390	2.0
297.11160	4.3
300.09564	1.1
300.13232	1.2
307.10117	23.9
327.12271	1.6
336.84763	1.0
406.17691	4.5
408.18777	1.9
415.12341	5.0
417.12384	1.0
433.12976	7.3
436.18466	1.2
451.14246	4.9
452.16965	1.1
497.23740	1.9
515.23956	1.5
651.59253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56689	1.5
53.03932	2.3
55.05505	15.7
55.64859	1.7
57.03437	18.6
57.07069	2.1
67.05154	2.1
67.05498	60.3
69.03406	2.3
69.07040	10.8
71.17332	1.7
79.05056	2.5
79.05478	43.2
81.03403	17.3
81.07040	43.3
81.44572	1.7
83.04963	11.8
83.08597	4.7
85.06513	2.0
91.05468	100.0
93.07029	37.5
95.04930	10.0
95.08568	25.7
97.02872	2.1
97.06467	2.4
105.07011	43.4
107.04935	12.2
107.08569	19.6
108.06799	1.8
109.06521	3.0
109.10118	9.9
117.06993	10.6
119.08553	22.0
121.10134	18.3
128.06213	2.8
131.08580	13.9
133.10094	36.4
135.07990	3.5
135.11667	2.9
138.12885	1.9
143.08540	4.8
145.10095	3.1
147.11668	2.6
149.09613	10.8
161.08348	1.9
161.09587	12.9
162.41577	2.1
179.10655	9.0
253.14299	52.6
261.21964	7.9
296.62277	2.8
335.25754	32.1
381.42865	2.3
513.28748	2.6
513.35687	54.3
596.94238	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	710.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	2.0
54.81500	2.6
55.05503	16.5
62.35630	2.5
62.38745	1.9
64.47296	2.1
65.16502	2.2
67.05495	68.6
69.07049	12.0
72.86755	2.2
79.05483	32.6
81.07049	42.3
83.04952	3.1
83.08586	5.1
84.47277	2.2
86.67872	2.7
91.05466	90.0
92.08641	5.8
93.07037	29.7
95.04944	4.3
95.08593	27.9
103.04173	2.7
105.07024	47.6
107.08591	14.3
109.10143	15.1
114.27558	2.5
117.06989	5.1
119.08566	13.6
121.10146	11.8
123.08035	2.2
131.08559	5.5
133.10117	100.0
135.11690	10.4
143.08569	4.8
145.10103	2.3
161.09592	10.6
240.58473	2.4
253.14330	39.0
261.22214	4.5
335.25815	74.5
339.36050	2.5
403.28519	2.8
513.35681	57.7
545.20178	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	710.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.7
53.03958	1.2
55.05508	16.1
57.03426	12.9
58.85963	1.3
61.02890	1.2
67.05492	55.0
69.07056	10.4
71.04987	1.8
71.64900	1.3
79.05474	30.6
81.07036	46.4
83.04944	1.3
83.08611	4.7
86.65614	1.1
87.76604	1.2
91.03902	1.6
91.05462	99.0
93.07018	33.4
95.04961	5.6
95.08587	30.6
97.10137	1.2
99.77344	1.1
105.07019	43.5
107.08562	14.0
109.06510	1.3
109.10132	11.2
117.07020	7.4
119.08559	11.1
120.08442	1.3
121.10112	10.5
123.11694	2.3
128.06230	1.8
131.08549	11.1
133.10107	100.0
135.11670	11.0
141.31792	1.3
143.08582	6.1
145.10104	2.3
147.11685	1.9
149.13222	2.6
151.11198	2.6
157.10245	1.4
159.11682	2.5
161.09564	11.5
161.13304	2.0
177.63080	1.4
179.10640	2.0
206.33179	1.3
251.12747	2.1
253.14268	33.9
261.22049	5.4
335.25732	75.6
513.35638	59.5
591.14917	1.4
623.87561	1.5
710.41766	2.1
710.54694	1.5
718.65833	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.6
55.01865	4.3
55.05495	14.3
56.36980	2.8
57.03423	3.2
60.08133	3.0
65.94214	3.0
67.01848	7.8
67.05495	24.8
69.03429	4.9
69.07054	14.7
71.04935	3.7
73.41881	3.0
79.05474	24.9
81.03396	12.1
81.07044	32.9
83.04956	6.6
85.02884	5.2
85.06504	3.0
91.05454	20.4
93.07043	26.3
95.04940	4.4
95.08593	18.9
97.02833	7.1
98.95032	3.2
103.05419	3.4
104.10688	3.5
105.07021	22.3
107.04925	16.9
107.08575	19.8
109.02866	17.1
109.06507	7.9
109.10148	7.4
117.07056	3.6
119.04848	3.5
119.08541	13.2
121.06465	11.8
121.10152	12.6
123.08043	6.2
127.03915	24.3
131.08566	22.5
132.01593	3.3
133.10092	15.5
135.08043	5.3
135.11650	3.6
145.06451	3.8
145.10092	7.8
147.04405	23.5
147.08054	4.9
147.11726	3.4
149.02164	3.2
149.09691	3.8
153.01804	100.0
155.08562	4.1
159.07993	17.2
159.11757	8.1
161.09531	5.2
171.02846	77.2
171.11688	4.7
173.13246	3.7
177.09058	18.2
180.33411	3.7
184.07256	4.7
195.02823	16.9
236.43723	3.9
239.10352	4.0
261.03931	6.1
273.07568	41.8
275.20010	64.0
278.63388	3.4
305.90659	3.6
315.08542	5.7
335.22058	4.9
363.08820	3.9
365.21069	7.6
381.09653	4.6
383.22009	16.4
401.23126	17.4
419.23898	7.0
437.25119	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	709.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01875	8.6
55.05266	1.9
55.05508	33.0
57.03438	8.2
57.08448	1.0
61.02917	4.9
64.84640	1.0
67.05494	31.0
69.03393	4.2
69.07050	18.0
71.04975	4.7
72.08132	1.8
73.02893	1.2
75.24796	1.1
79.05478	25.6
79.19454	1.0
79.63962	1.1
81.03410	13.2
81.07037	30.8
83.04973	14.3
83.08601	23.6
85.02901	11.0
91.03963	1.3
91.05466	17.6
93.07023	26.1
95.04945	55.9
95.08591	16.8
97.06516	6.8
97.10172	9.1
99.04437	4.3
102.54125	1.2
105.07017	20.9
107.04948	11.3
107.08578	22.8
109.06542	4.9
109.10127	8.6
111.04433	20.3
111.08073	2.9
117.07019	11.1
119.08564	18.6
121.06512	6.2
121.10118	13.7
123.08032	4.9
125.09608	8.9
127.03948	1.4
129.07010	2.4
131.08551	12.7
133.06418	1.9
133.10126	9.9
135.08057	4.7
135.11688	8.9
137.05974	13.4
137.09663	1.4
138.06355	2.0
139.11205	2.4
139.80101	1.4
141.87021	1.2
143.08626	1.9
145.10098	14.2
147.08025	2.5
147.11713	7.4
149.09605	20.5
151.11134	2.2
153.12723	1.4
155.08530	1.6
157.10081	1.9
159.11702	4.5
161.09581	1.8
163.11136	21.0
171.11565	1.5
175.11166	1.4
177.12720	2.8
181.12218	5.5
184.07396	1.3
187.11137	2.0
189.11230	2.7
193.12328	1.4
198.54570	1.1
205.12280	2.0
211.13283	4.4
223.13223	20.6
257.18961	1.7
267.15848	1.4
275.19995	24.3
283.15408	2.5
292.66196	1.3
293.21082	15.8
349.23682	6.4
367.24741	100.0
476.26602	1.9
493.28046	1.9
494.28290	1.6
511.28058	1.3
529.30084	1.9
643.71008	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01863	1.0
55.05498	1.2
57.03431	1.8
57.07063	1.4
59.04989	1.4
61.02913	1.4
67.05499	14.2
69.03419	16.1
69.07043	1.8
71.04972	5.9
73.02901	3.0
79.05456	1.2
81.03397	17.0
81.07038	4.3
83.04967	4.6
85.02893	66.0
85.06522	6.5
87.04379	0.8
91.05450	1.8
93.07025	6.4
95.04945	2.8
95.08588	63.7
97.02873	26.7
97.06524	1.3
99.04436	44.1
103.03928	87.3
105.07018	8.4
107.04962	0.9
107.08595	8.5
109.02869	25.4
109.06492	4.0
109.10175	1.0
111.04449	1.1
113.06006	5.1
115.03893	1.2
117.06971	0.9
119.04943	1.1
119.08564	16.6
121.06497	1.4
121.10147	6.5
123.04395	0.9
123.08057	25.7
123.11685	3.2
127.03897	100.0
131.08572	1.5
133.06470	1.8
133.10162	3.9
135.08141	0.9
135.11664	8.1
137.05963	5.4
137.09578	4.1
139.07474	1.0
143.08583	0.9
145.04944	35.7
145.10136	3.0
147.04385	1.6
147.08044	4.1
147.11656	9.6
149.09607	65.5
151.07524	3.5
151.14778	1.5
156.09328	4.0
161.09676	0.8
161.13232	11.7
163.05988	31.1
163.11179	1.8
165.09076	0.8
165.12737	3.8
171.11702	5.5
174.10403	5.8
179.14302	1.0
187.06007	4.5
189.12712	26.0
205.07031	1.1
207.13777	92.8
225.14879	1.1
253.07033	1.8
271.07959	7.2
289.09039	7.5
289.96725	1.0
307.10190	28.3
356.06445	0.9
388.74667	0.9
415.12485	1.3
433.12946	1.5
451.14362	3.1
471.35190	0.7
477.20981	1.7
495.21964	1.7
513.23474	1.7
709.93945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01863	1.0
55.05498	1.2
57.03431	1.8
57.07063	1.4
59.04989	1.4
61.02913	1.4
67.05499	14.2
69.03419	16.1
69.07043	1.8
71.04972	5.9
73.02901	3.0
79.05456	1.2
81.03397	17.0
81.07038	4.3
83.04967	4.6
85.02893	66.0
85.06522	6.5
87.04379	0.8
91.05450	1.8
93.07025	6.4
95.04945	2.8
95.08588	63.7
97.02873	26.7
97.06524	1.3
99.04436	44.1
103.03928	87.3
105.07018	8.4
107.04962	0.9
107.08595	8.5
109.02869	25.4
109.06492	4.0
109.10175	1.0
111.04449	1.1
113.06006	5.1
115.03893	1.2
117.06971	0.9
119.04943	1.1
119.08564	16.6
121.06497	1.4
121.10147	6.5
123.04395	0.9
123.08057	25.7
123.11685	3.2
127.03897	100.0
131.08572	1.5
133.06470	1.8
133.10162	3.9
135.08141	0.9
135.11664	8.1
137.05963	5.4
137.09578	4.1
139.07474	1.0
143.08583	0.9
145.04944	35.7
145.10136	3.0
147.04385	1.6
147.08044	4.1
147.11656	9.6
149.09607	65.5
151.07524	3.5
151.14778	1.5
156.09328	4.0
161.09676	0.8
161.13232	11.7
163.05988	31.1
163.11179	1.8
165.09076	0.8
165.12737	3.8
171.11702	5.5
174.10403	5.8
179.14302	1.0
187.06007	4.5
189.12712	26.0
205.07031	1.1
207.13777	92.8
225.14879	1.1
253.07033	1.8
271.07959	7.2
289.09039	7.5
289.96725	1.0
307.10190	28.3
356.06445	0.9
388.74667	0.9
415.12485	1.3
433.12946	1.5
451.14362	3.1
471.35190	0.7
477.20981	1.7
495.21964	1.7
513.23474	1.7
709.93945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87539	1.5
53.03924	2.0
54.08990	1.5
55.01839	2.1
55.05505	13.1
56.03144	1.7
57.03426	16.6
57.62277	1.5
61.02909	2.0
61.68966	1.6
67.05487	41.5
69.03414	2.7
69.07052	16.2
71.04967	3.9
79.05468	28.7
81.03397	65.2
81.07034	59.0
83.04958	8.4
83.08601	19.4
89.73573	1.5
91.05449	24.4
93.07012	36.7
95.04935	23.4
95.08572	13.3
97.06480	9.0
97.10149	2.0
105.07008	19.6
107.04932	2.7
107.08577	20.8
109.06499	3.0
109.10125	7.0
111.08045	8.3
112.74567	1.6
117.06989	3.6
119.08570	15.0
121.06500	2.3
121.10108	15.9
123.08049	2.3
123.11670	3.1
125.09596	2.4
125.57189	1.8
129.06976	7.2
131.08527	8.4
133.10097	10.2
133.11032	1.9
135.11665	3.6
137.05980	3.4
142.07730	2.0
145.10135	2.3
147.11684	2.5
149.13228	14.6
157.10077	7.5
159.11641	8.9
163.11195	2.3
167.13988	1.8
175.11099	7.2
177.12663	2.1
193.12218	15.4
195.13788	3.7
198.77391	1.9
211.13155	2.3
267.15820	45.9
269.17419	37.9
435.27380	3.3
461.22369	3.7
461.28848	100.0
511.28342	2.6
624.87854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.6
55.01869	21.1
55.05506	40.5
57.03426	40.6
57.07065	4.7
59.04963	1.3
61.02917	11.8
64.85172	1.0
65.03925	1.8
65.10217	1.0
67.05141	2.2
67.05495	58.1
69.03416	12.8
69.07056	15.5
71.01318	1.2
71.04981	9.7
73.02916	8.2
79.05476	54.4
81.03403	100.0
81.07043	55.1
82.04177	2.7
83.04967	38.4
83.08608	38.3
85.02892	41.7
85.03368	2.1
85.06520	5.1
87.04448	1.2
90.79460	1.0
91.03923	4.8
91.05463	60.7
92.08735	1.2
93.07026	40.5
95.04949	51.9
95.08596	22.6
97.02856	11.0
97.06503	13.0
97.10143	19.5
98.07297	6.9
99.04428	1.9
99.08080	2.6
101.05988	1.8
103.03954	1.3
103.05463	1.2
105.07021	41.8
107.04947	19.4
107.08572	25.3
109.06519	12.2
109.10164	12.2
111.04421	8.6
111.08067	17.9
113.05986	4.4
115.05425	4.4
116.04700	15.4
117.05510	1.3
117.07014	7.3
119.08565	36.9
121.06457	7.7
121.10114	18.6
123.08006	11.4
123.11635	1.5
125.09618	19.0
127.03912	1.3
128.06168	1.4
129.05469	35.7
129.06960	18.9
131.08534	22.8
133.06447	6.4
133.10138	21.3
135.08101	1.7
135.11659	6.4
137.05951	2.2
137.09608	2.7
142.07758	3.9
143.07033	9.3
145.10088	6.6
147.08063	6.9
147.11670	28.5
149.09653	11.1
152.01393	1.1
153.09128	1.5
153.12750	1.7
155.08554	1.3
157.08585	16.7
157.10095	23.0
163.11154	9.6
165.09094	1.4
165.12680	4.4
171.06537	1.4
171.10143	2.5
173.09593	1.7
173.11745	3.9
175.11130	22.9
181.12207	2.0
185.07945	1.5
189.11240	8.3
191.10692	1.2
193.12224	62.4
199.13245	10.0
209.11745	7.1
211.13268	67.5
227.12732	14.5
229.14427	2.5
249.15067	1.1
253.54929	1.3
255.15846	5.5
267.15900	23.8
269.26535	1.2
275.19839	1.8
277.21637	1.1
283.15353	13.9
285.16907	44.2
301.16415	47.3
302.16599	1.1
339.17734	1.3
395.62396	1.2
409.25537	6.5
427.26752	5.0
437.25119	2.4
439.26932	13.9
459.27194	2.3
475.26624	4.0
476.27798	2.2
477.28162	5.0
493.27963	15.0
494.28592	6.0
511.28955	60.6
512.29724	1.5
730.15887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01863	3.3
55.05503	7.7
56.67787	0.4
56.96520	0.5
57.03431	5.1
57.07054	1.9
61.02911	7.3
62.64095	0.4
65.03936	0.4
66.42207	0.5
67.05148	0.7
67.05491	17.5
68.82960	0.4
69.03400	3.1
69.07053	12.7
71.04979	1.9
72.93771	0.5
73.02888	2.9
79.05476	13.5
81.03385	3.1
81.07040	21.6
83.04965	6.8
83.08598	4.4
85.02892	9.0
85.06511	0.7
91.03945	5.1
91.05458	17.0
93.07027	21.4
95.04945	6.1
95.08006	0.8
95.08582	14.7
97.02866	3.6
97.06530	4.3
97.10136	2.5
99.04420	0.6
103.05437	0.5
105.07013	21.5
107.04948	6.4
107.08576	15.3
109.02895	0.6
109.05807	0.8
109.06502	8.7
109.10157	7.2
111.08044	1.8
117.06998	6.4
119.08565	13.4
121.06480	9.3
121.10121	9.0
123.08044	6.4
123.11673	2.5
125.09608	0.9
127.03912	0.6
129.06946	1.9
131.08540	16.0
133.06424	4.1
133.10106	15.8
135.08060	4.3
135.11696	4.4
137.05937	2.6
137.09605	1.9
141.06981	0.8
143.08537	2.9
145.04970	0.8
145.06459	1.9
145.10103	13.0
147.08037	3.2
147.10583	0.8
147.11674	11.9
148.38324	0.4
149.09579	6.0
149.13246	3.6
151.11150	4.8
155.08588	1.0
157.08890	0.6
157.10066	4.6
159.08044	3.1
159.11665	9.2
161.09587	3.8
161.13248	2.4
163.11171	7.5
165.09100	0.5
169.01428	0.4
169.10098	1.7
171.11652	2.4
173.09621	3.2
173.13188	4.6
175.11137	3.4
175.14844	0.5
177.12697	1.8
183.11641	3.3
185.13165	0.7
187.00719	0.4
187.11157	2.3
187.14748	1.0
189.12802	0.9
191.14330	3.2
193.12184	0.8
197.13249	0.8
201.12717	3.7
205.12589	0.4
207.13771	3.6
211.13171	0.6
211.14926	0.6
215.14281	0.8
215.17914	2.0
219.13725	2.3
229.19511	2.4
231.17413	1.0
233.18967	0.7
239.17908	2.5
246.42851	0.5
247.20558	4.5
257.18918	10.6
267.15701	0.6
275.20013	61.0
276.20267	1.0
283.06204	0.7
293.21100	2.6
308.80850	0.5
349.23669	100.0
350.24200	3.1
363.12576	2.1
364.13034	1.7
367.24722	31.4
368.25223	0.9
382.13171	0.5
383.13507	0.8
493.27838	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	707.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01864	13.5
55.05509	17.4
56.19388	1.2
57.03414	6.5
61.02906	3.5
62.23579	1.2
62.65803	1.5
66.80653	1.2
67.05497	23.4
69.03419	2.7
69.07037	6.1
71.04973	2.0
73.02894	1.9
76.56306	1.3
79.05476	38.3
81.03398	8.5
81.07040	96.9
82.82092	1.4
83.04971	17.7
83.08601	8.6
85.02891	13.9
89.75037	1.3
91.03925	2.4
91.05456	21.4
93.07032	28.8
95.04958	18.7
95.08602	12.8
97.06514	3.5
97.10136	8.8
99.04398	2.4
103.05447	2.1
105.07030	24.4
107.04917	8.2
107.08570	17.5
109.02916	1.7
109.06509	42.7
109.10127	5.9
111.04434	23.7
111.08057	2.8
117.06991	12.6
119.08553	31.4
121.06499	11.7
121.10112	14.0
123.08048	7.2
125.09592	3.5
128.06192	1.8
129.06963	8.4
131.04877	2.4
131.08575	11.7
133.06407	1.6
133.10100	2.3
135.08012	6.7
135.11664	7.8
137.05930	7.4
137.09618	2.1
138.06319	1.6
143.08534	6.1
145.02798	2.4
145.10123	17.8
147.08073	15.3
147.11667	5.8
149.09610	5.6
153.12718	7.5
155.08475	1.9
157.10077	2.1
159.07944	2.0
159.11606	2.3
161.05902	2.3
161.09602	8.8
163.11197	12.5
165.09050	3.6
173.09631	1.7
175.11176	2.1
177.05504	1.6
181.12236	8.5
191.10663	3.6
227.12746	5.9
233.48018	1.4
249.14717	3.3
255.17418	2.4
273.18411	17.5
283.15097	2.0
291.16422	2.3
291.19522	52.4
293.21570	1.5
347.22189	6.2
365.23166	100.0
366.23666	2.7
509.27505	1.8
707.33655	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	707.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36221	2.1
59.63226	2.3
63.92680	2.0
68.18664	2.1
75.25610	2.1
81.07021	2.3
93.07001	2.2
94.52608	2.4
148.67799	2.5
170.33685	2.7
461.89163	2.7
470.97656	2.5
595.52374	3.0
707.37476	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	707.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
65.11562	2.2
68.08914	1.9
68.53405	1.8
76.29932	2.6
77.52071	2.0
87.04459	4.2
92.63103	2.4
95.08580	4.7
98.89155	1.9
104.38989	1.9
129.15932	2.0
138.20000	2.3
158.01091	2.1
184.07307	3.3
184.46831	2.3
271.99442	2.1
338.93765	2.2
398.74158	2.5
476.09656	2.2
604.03925	2.5
707.37781	100.0
707.49609	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	707.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42059	1.0
55.05501	4.2
56.63516	0.8
57.03415	1.5
57.07082	1.0
59.38855	0.9
61.02915	6.7
67.05498	6.8
69.03427	4.3
69.07043	1.5
73.02900	4.5
76.35715	0.9
79.05490	2.1
81.07048	4.1
82.63736	1.0
83.08595	1.2
85.02894	4.8
91.03917	2.3
91.05467	1.9
92.09282	1.4
93.07034	6.0
93.93872	1.0
95.08585	2.3
97.02898	4.9
97.10159	4.6
101.02390	1.2
105.07021	1.3
107.08580	2.4
109.10136	1.1
119.08554	1.0
121.10149	1.2
125.09619	2.5
137.04820	1.0
179.99763	1.0
189.11238	1.9
211.09387	1.6
243.08455	1.3
371.81290	1.0
429.17291	9.7
479.68448	1.1
519.29114	3.7
707.39655	100.0
708.39142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79953	0.7
55.01875	1.6
55.05504	2.5
56.49194	0.8
57.03438	1.7
59.89832	0.8
61.02914	6.7
67.05505	5.2
69.03417	4.7
69.07068	1.6
69.22007	1.1
73.02904	4.0
79.05471	4.1
81.03400	1.4
81.07043	6.3
83.08607	1.8
85.02911	2.4
89.52899	1.0
91.03908	1.2
91.05465	2.2
93.07053	2.3
93.98836	1.1
95.08595	5.5
97.02890	4.2
97.10184	1.8
101.02378	1.1
105.07022	1.7
107.08621	1.5
109.10109	1.0
114.36707	0.9
121.10112	1.1
125.09615	2.2
127.03921	1.9
149.46748	1.3
170.12917	1.2
189.11226	4.2
211.09410	1.8
217.93867	1.0
243.08408	1.2
429.17282	9.1
519.29272	3.7
521.68262	1.3
535.36511	1.1
548.39410	1.1
552.30750	1.2
707.39612	100.0
708.39331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27219	0.3
50.91096	0.3
54.81453	0.3
69.03417	0.6
71.78524	0.3
72.08122	0.4
77.20106	0.3
77.73891	0.3
78.23256	0.3
85.02882	1.7
97.02899	0.4
105.30971	0.3
139.86887	0.3
153.40518	0.3
173.02882	0.6
185.04189	18.9
197.38365	0.3
203.05240	48.0
234.29486	0.3
245.05008	1.9
283.03201	0.4
365.10468	100.0
366.10840	0.7
637.07751	0.3
700.07068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82382	0.3
62.98514	0.3
69.03408	0.6
85.02880	0.8
89.45577	0.3
92.09268	0.4
114.36973	0.4
127.03940	0.5
137.05933	1.9
139.06461	0.4
151.07581	1.7
152.07835	0.6
157.00005	0.4
332.15790	0.9
333.15945	1.6
334.16650	0.5
421.14462	0.8
438.28073	0.4
515.19153	2.5
529.17297	0.6
545.19794	14.8
545.27423	0.7
707.25079	100.0
708.25494	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	705.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25806	1.3
54.06098	1.2
55.05490	2.7
57.03429	3.1
59.38067	1.4
61.02912	3.9
62.41406	1.3
67.05489	10.3
69.03400	1.6
73.02890	3.1
73.18896	1.4
73.89470	1.5
79.05486	2.8
80.10616	1.3
81.03398	2.4
81.07037	10.6
85.02887	4.0
86.09702	1.9
91.03907	2.7
91.05450	1.5
92.86356	1.6
93.07028	2.4
95.08575	3.9
97.02891	4.1
99.08047	1.7
142.09480	1.7
149.13264	2.0
150.48085	1.5
155.13976	1.6
160.02505	1.6
169.36153	1.7
184.07236	2.7
185.78166	1.6
208.27689	1.5
325.58319	1.7
332.29700	1.8
351.09082	2.0
429.96008	1.8
453.20715	6.6
493.27658	3.5
607.25714	1.8
608.26849	1.9
705.41602	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	706.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05500	1.2
57.03440	0.6
59.04975	1.0
60.39596	0.5
65.03932	6.7
67.05499	1.2
69.07052	2.3
71.04979	0.8
79.05480	3.3
81.07047	3.3
83.08620	1.0
91.05462	8.3
93.03383	6.4
93.07034	3.0
94.04163	1.1
95.04920	2.5
95.08595	1.3
103.05466	2.2
105.07004	10.3
107.04951	4.6
107.08566	0.9
109.06489	2.3
110.03635	2.8
111.04430	23.1
117.07016	0.8
119.04900	6.2
119.08564	0.6
121.06506	1.3
121.10133	0.9
121.74491	0.5
122.03632	2.8
125.05972	29.0
128.06198	2.2
131.04912	1.0
133.06474	11.9
133.10098	0.9
135.08037	1.1
135.11696	0.8
137.05960	100.0
143.08542	9.1
145.06442	5.3
145.10182	1.2
148.05206	1.1
149.05971	0.7
151.03891	11.9
151.04970	1.0
151.07524	41.1
151.11194	0.7
153.05457	53.2
159.08043	1.1
162.06723	0.9
163.07541	3.9
163.11201	1.1
165.09079	25.5
171.08025	15.5
172.08800	0.7
177.09045	2.5
181.08589	7.0
188.08322	10.0
191.10657	1.1
193.12170	0.8
203.10641	39.6
215.59286	0.6
221.11693	26.4
221.13750	1.2
227.12769	1.2
256.12405	0.6
263.10748	0.8
295.13272	0.8
327.15854	31.6
345.16919	27.0
440.67068	0.6
451.26801	1.3
477.28143	1.3
509.31024	1.0
685.30408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81807	3.2
55.01866	27.7
55.05506	46.0
56.16343	2.0
57.03428	36.6
59.04985	3.3
61.02917	13.7
65.02470	2.6
65.14654	2.1
65.75127	2.4
67.05485	41.9
69.03436	5.0
69.07058	17.0
71.01351	2.5
71.04971	10.1
73.02911	3.9
79.05475	59.4
81.03397	35.5
81.07045	41.5
82.04201	3.3
83.01330	15.4
83.04967	28.4
83.08608	28.7
83.24955	2.3
85.02900	18.8
85.06501	2.7
87.42629	2.6
91.03951	3.5
91.05455	37.0
92.05859	2.7
93.07016	51.9
95.04942	25.4
95.08574	25.2
97.02873	13.9
97.06519	14.9
97.10158	15.8
105.07011	23.1
107.04935	19.9
107.08577	31.5
109.06529	14.6
109.10136	14.1
111.04476	2.7
111.08050	4.7
116.04697	15.8
117.07023	18.3
119.07838	2.4
119.08539	22.6
121.06529	4.4
121.10148	11.5
123.08055	18.3
123.21505	2.8
123.60913	2.7
125.09579	26.0
129.05461	41.7
129.06996	3.9
131.08549	10.4
133.10107	11.7
135.08054	4.4
135.11662	21.4
137.05974	11.1
137.09673	3.4
138.54951	2.7
143.07056	9.9
145.10156	22.8
147.08102	5.7
147.11668	4.4
149.09596	3.0
153.12675	3.7
155.08606	3.6
157.08572	18.4
157.09894	2.4
163.11162	34.5
173.09648	3.6
173.11758	2.6
189.11217	13.0
190.79648	2.7
191.10640	3.7
199.13216	4.3
199.15042	3.3
209.11766	10.1
211.13152	3.1
227.12698	17.6
267.15866	10.2
283.15353	78.2
301.16370	75.1
437.25345	11.1
457.25711	2.9
475.26770	10.6
491.25598	3.4
509.27380	100.0
617.59351	2.7
689.62872	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	705.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67196	0.5
53.03933	0.5
55.05492	0.9
57.03442	1.0
59.67337	0.6
61.02926	1.6
64.33349	1.1
67.01852	6.9
67.05492	0.7
68.99777	4.2
69.03421	4.1
70.06564	1.0
81.03419	3.9
81.07019	0.8
83.01353	0.8
84.04479	0.8
85.02891	7.3
91.05471	3.2
97.02890	4.8
99.38882	0.7
103.05453	1.4
105.07031	1.3
107.04943	4.2
107.08618	0.8
109.02891	1.6
111.00800	3.7
119.04967	3.4
121.02867	0.9
121.06522	1.1
123.04411	1.7
127.03909	1.6
129.07011	1.6
131.04938	3.4
133.06467	16.8
136.07617	0.9
137.02353	1.0
137.05946	6.5
145.04997	0.9
147.04408	13.9
147.08040	2.9
151.03937	1.5
151.07451	0.8
153.01811	100.0
157.06471	1.5
159.04388	20.0
161.05969	5.6
169.25644	0.7
171.02876	19.5
173.05963	4.4
175.07486	5.3
177.01784	1.0
177.05434	44.4
177.08952	1.1
179.03410	6.3
183.04483	1.4
185.06010	1.2
187.03851	14.0
197.06012	4.8
199.03857	1.6
201.05518	1.2
203.06960	1.0
211.03964	1.2
213.01869	3.1
222.94331	0.8
225.05443	1.7
227.03485	0.9
229.04929	3.6
231.02875	1.6
245.04381	5.2
247.06033	1.1
253.04956	3.1
255.02820	9.7
271.05951	87.9
273.03967	3.6
279.02777	1.7
297.03897	44.4
321.03738	1.1
342.95761	0.8
381.06433	0.8
391.11685	3.7
423.07025	85.0
424.07397	1.2
432.16986	0.8
439.65060	0.8
543.12732	18.7
619.41559	1.4
657.28094	1.1
657.39404	0.8
659.12219	0.8
695.15259	0.8
705.33228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.6
69.03413	0.9
69.60228	0.5
70.52015	0.4
73.02896	0.5
76.02200	0.6
81.03439	0.7
85.02889	3.3
91.05478	0.6
93.07001	0.4
94.06515	0.4
97.02890	1.0
98.02373	0.4
99.04428	0.7
103.05457	3.0
105.06978	1.4
108.08134	1.9
109.29250	0.4
121.06499	0.9
122.02802	0.4
122.03654	2.3
122.06001	1.4
127.03915	0.4
128.04253	0.4
131.04907	6.4
132.05255	0.7
133.06471	5.3
134.06871	0.5
135.08064	2.5
136.07584	2.7
137.05957	43.1
138.06297	7.3
145.06465	1.5
151.07512	3.0
152.07895	0.7
163.07513	11.1
164.06865	0.6
164.08009	0.9
171.08116	0.5
175.07553	2.5
176.07932	1.7
177.09116	8.9
178.09438	1.7
185.04192	0.7
187.07430	0.7
189.09145	1.8
190.09464	0.7
203.10643	0.9
206.94102	0.4
221.11755	1.6
295.13235	2.0
296.13574	0.6
303.13455	2.4
303.59698	0.4
303.63483	1.0
309.09537	0.7
327.15860	6.5
328.16296	3.4
345.16843	1.0
346.17258	1.0
363.64514	2.0
364.14380	1.0
378.18192	0.6
396.19125	1.9
419.13583	0.5
424.18582	0.9
442.19717	1.9
468.17291	0.6
543.18481	2.9
705.23505	100.0
706.23987	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1809
Annotation	GB1a-7''-O-glucoside
Peak:m/z	Relative Intensity
52.18386	0.3
53.03913	0.5
57.03424	0.6
60.78153	0.3
67.01855	15.4
68.99775	16.4
69.03400	2.3
71.01325	0.4
77.03899	0.4
81.03405	2.6
81.59663	0.3
83.01311	0.4
85.02895	3.6
91.05467	6.1
93.06993	0.5
95.04942	1.5
97.02866	2.3
105.06995	2.3
107.04934	3.6
109.02872	0.5
111.00800	2.6
111.04442	0.7
115.05408	0.4
117.07008	0.6
119.04920	13.8
120.05695	2.3
121.02859	1.8
121.06474	4.3
123.00767	0.6
123.04404	6.7
125.02319	2.1
127.03863	2.1
129.01811	2.2
129.06903	0.4
131.04887	2.1
133.06447	0.7
137.05927	0.8
139.00244	12.5
145.06468	0.7
147.04390	38.1
149.02274	0.7
151.03893	3.6
153.01805	80.4
155.04784	0.5
157.01317	0.8
157.06439	0.8
161.05908	0.7
165.01848	0.6
166.02599	0.5
166.99713	2.4
169.01309	0.6
171.02855	58.0
173.06004	0.5
177.01830	1.4
179.03369	12.9
183.02847	0.5
185.00780	18.8
185.06033	0.5
191.03349	1.4
195.02855	5.1
197.05942	1.4
201.05458	0.5
215.06972	0.4
219.02884	1.7
225.05466	1.8
229.04933	3.5
243.06432	0.6
245.04431	6.1
253.04909	2.7
257.04358	1.8
261.03864	1.5
269.04437	3.0
271.05954	77.3
272.06250	0.6
287.05508	2.3
289.07016	7.8
297.03864	8.3
297.07025	0.7
300.48016	0.4
323.05392	0.6
365.10355	2.4
391.11685	51.8
392.12210	1.4
417.09573	2.5
423.07056	17.1
430.63812	0.4
543.12762	100.0
544.12952	3.0
555.12738	0.4
567.12646	1.3
595.63245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1813
Annotation	GB1a-7''-O-glucoside
Peak:m/z	Relative Intensity
50.32556	0.2
55.01855	0.5
57.03423	0.3
61.02907	0.6
67.01852	7.1
67.05482	0.3
68.99775	4.4
69.03412	3.4
77.03912	0.3
79.01803	0.3
79.05457	0.3
81.03381	1.3
83.01344	0.3
85.02894	4.0
91.05438	2.0
91.97250	0.3
93.06962	0.3
95.04922	0.4
97.02883	2.1
103.05391	0.5
103.34435	0.2
105.07008	1.4
107.04926	1.9
109.02860	0.5
110.42641	0.3
111.00790	4.2
115.05424	0.4
119.04926	3.8
120.05679	0.4
121.02830	0.5
121.06509	0.4
123.04404	2.3
125.02341	0.7
127.03878	1.4
129.01768	0.5
129.06998	2.0
131.04892	3.3
133.06459	15.6
137.05931	2.0
145.04942	0.3
145.06465	0.7
147.04388	13.3
147.08051	2.6
149.05989	0.6
151.03886	1.8
151.07568	0.3
153.01808	100.0
154.02130	0.4
155.04892	0.6
155.08511	0.3
157.06468	2.2
159.04375	18.7
159.05699	0.6
161.05948	4.1
165.09108	0.6
169.06528	0.6
171.02866	17.4
171.04361	1.1
173.05962	3.3
175.03825	0.3
175.07513	4.9
177.05438	41.4
179.03368	6.8
183.04362	2.4
185.02312	0.4
185.05907	1.7
187.03868	15.4
195.02831	0.4
195.04381	0.5
197.05957	3.7
199.03883	1.8
201.05424	3.0
203.06932	1.3
205.04935	1.7
205.06668	0.3
211.03891	1.5
213.01840	3.0
223.03914	0.6
225.05473	2.0
227.03336	1.5
229.04953	3.4
231.02841	2.9
243.06419	0.5
245.04367	5.5
247.06013	1.7
248.76833	0.3
253.04893	2.8
255.00136	0.5
255.02812	10.0
269.04358	0.7
271.05951	88.5
272.06326	1.4
273.03842	3.5
279.02820	1.2
289.07071	1.4
297.03894	44.7
298.04312	0.3
312.47006	0.3
349.10547	1.0
365.10233	0.7
381.06113	0.4
391.11493	4.6
399.08527	0.5
417.09506	0.6
423.07025	78.5
424.07364	0.5
449.08597	0.5
501.11664	0.6
542.11182	0.5
543.12750	17.5
705.32123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.2
53.03920	0.2
57.03430	0.3
59.09271	0.2
61.02915	0.4
65.03930	0.2
69.03426	2.1
70.06573	0.2
79.05453	0.2
81.03411	0.5
85.02898	5.0
91.05460	0.8
94.04164	0.9
97.02875	1.4
99.04436	0.3
103.05492	1.5
105.07005	0.3
107.04901	0.4
109.02895	0.3
117.06980	0.3
119.04920	0.8
121.06522	0.3
122.03630	2.6
127.03925	0.8
131.04909	2.9
133.06494	2.2
135.08038	1.1
137.05963	100.0
138.06352	1.4
145.05014	0.4
145.06439	0.5
149.05911	0.2
151.07535	1.6
157.06447	0.4
161.05948	0.5
163.07513	5.3
170.20810	0.2
171.08038	0.4
174.06796	0.3
175.07494	1.0
177.09108	2.3
181.08563	10.0
189.09122	1.1
190.09435	0.2
203.10635	0.9
219.10165	0.3
220.10495	0.4
221.11739	0.3
295.13312	1.3
327.15884	3.2
345.16949	0.7
477.39774	0.2
705.22894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33332	0.2
50.76790	0.2
53.00285	0.2
55.01864	0.8
57.03422	0.4
61.02905	1.0
62.00983	0.2
67.68382	0.2
69.03422	2.4
70.06567	0.4
72.08157	0.2
73.02895	0.2
75.68268	0.2
79.05470	1.3
79.08649	0.2
81.03397	1.3
81.07039	0.3
85.02888	10.2
91.05469	2.2
93.06994	0.8
93.26207	0.2
94.04168	1.7
95.04903	0.4
97.02874	2.9
97.23483	0.2
99.04435	0.3
103.05443	8.1
105.07010	3.3
107.04943	1.3
107.08572	0.3
108.05694	0.2
109.02862	1.3
109.06486	1.2
115.05444	1.0
117.06969	1.9
119.04920	0.9
119.08494	0.3
121.06484	2.9
122.03626	4.8
123.08015	1.0
127.03852	2.1
128.06192	0.9
129.06978	1.1
131.04901	19.4
131.08508	0.2
133.06468	14.7
135.04367	0.2
135.08032	6.3
137.05952	100.0
138.06297	1.8
143.04904	0.8
143.08528	1.9
145.04982	1.0
145.06459	3.9
147.08002	0.9
149.06050	0.7
149.09613	0.4
151.06299	0.3
151.07515	8.6
155.06088	0.3
157.06468	1.7
159.08061	0.3
160.05122	0.9
161.05931	0.5
162.06709	1.4
163.07504	47.4
164.07866	0.3
165.09160	0.3
166.43906	0.2
171.08031	2.6
174.06706	1.0
175.07506	5.3
176.07832	1.3
177.09073	71.6
178.09430	0.9
181.08888	0.2
187.07498	1.5
188.08138	1.1
189.09100	3.0
195.10123	1.8
201.09195	0.3
203.10632	3.8
221.11682	15.6
222.12285	0.3
228.09459	0.2
230.66362	0.2
235.11208	0.4
235.64958	0.2
237.78197	0.2
245.09602	0.5
248.08315	0.2
253.29881	0.2
263.10596	1.6
295.13232	6.1
327.15836	21.7
345.16898	8.3
363.11963	1.0
705.23474	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	704.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.1
55.05472	0.1
57.03428	0.1
61.02912	0.2
69.03407	0.5
79.04659	0.1
79.05461	0.2
81.03401	0.3
81.07027	0.2
85.02423	0.1
85.02891	2.1
88.69361	0.1
91.05441	0.5
94.04165	0.5
97.02860	0.6
103.05439	0.4
105.07004	0.1
107.04955	0.1
109.02853	0.2
119.04919	0.4
122.03623	2.3
127.03883	0.4
127.78451	0.1
131.04897	1.1
133.06485	0.3
137.05957	100.0
138.06279	0.8
143.08559	0.1
145.04974	0.2
151.07518	0.9
161.05901	0.2
163.06210	0.1
163.07497	2.3
164.07817	0.1
175.07594	0.3
177.09077	1.1
178.09427	0.4
181.08559	11.1
203.10698	0.1
221.11734	0.3
227.10625	0.1
236.85863	0.1
242.26451	0.1
295.85950	0.1
302.08066	0.1
331.15317	0.1
332.15607	0.2
383.41367	0.1
407.33356	0.1
518.13885	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	704.531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48167	3.8
54.02102	3.8
55.05501	63.7
57.03423	26.7
57.07066	57.6
67.05502	46.9
67.05788	4.8
69.07055	100.0
71.08609	31.2
79.05470	24.5
81.07041	85.4
83.08601	89.5
85.10170	21.2
85.97548	4.2
87.00816	9.0
93.07056	41.4
95.08582	74.8
97.06500	18.6
97.10139	56.1
99.08095	5.3
107.08575	22.6
109.10144	24.6
111.08117	8.5
118.24678	4.8
121.10114	28.6
123.11650	19.1
128.76895	5.6
135.11658	32.9
136.25433	4.5
137.13217	4.8
139.11128	6.5
149.13229	11.6
153.12697	10.0
163.14690	10.5
167.14317	6.9
172.66684	4.6
193.91110	4.7
218.19640	5.9
219.21066	30.7
237.22087	41.1
255.23108	32.1
311.25693	22.2
329.26785	89.9
341.23187	29.3
397.25705	6.3
415.26843	60.1
548.33295	5.4
549.10107	5.0
575.49640	22.2
669.49066	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01859	0.3
55.05510	2.3
55.19231	0.3
57.03428	4.7
60.59638	0.3
61.02923	6.9
67.05501	5.2
69.03418	3.5
69.07059	1.5
71.01333	0.7
71.04988	0.8
71.08631	0.4
73.02896	4.8
74.68270	0.3
78.41958	0.3
79.05489	5.5
81.03414	2.4
81.07030	4.8
83.04986	0.5
83.08614	1.5
85.02897	6.7
89.05980	0.4
90.78812	0.4
91.03933	3.3
91.05471	1.5
93.07036	8.9
95.04999	0.6
95.08582	3.4
97.02877	5.4
99.04458	0.6
101.02389	1.9
105.07027	1.5
107.08600	2.5
109.02898	0.9
109.10155	0.9
115.03966	0.4
119.08599	0.8
121.10133	4.6
123.11682	0.4
127.03943	1.5
131.08577	1.4
132.88361	0.4
133.10115	0.5
135.11745	0.5
139.11206	0.9
149.09583	0.4
150.91576	0.4
167.10683	0.7
207.10080	0.6
211.42824	0.4
241.14482	0.4
243.08388	2.7
300.27637	0.4
335.25839	0.5
425.17700	11.7
519.29352	3.7
652.24823	0.4
702.46240	0.5
703.40131	100.0
704.40771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80192	0.4
52.15353	0.4
53.03927	0.8
55.05509	1.1
57.03427	1.2
57.07045	0.7
61.02914	8.0
65.03922	0.5
65.20077	0.4
67.05487	6.8
67.91725	0.4
69.03413	4.0
69.07044	0.9
73.02911	5.4
74.08647	0.5
79.05482	5.8
81.03400	2.0
81.07034	8.8
85.02888	6.4
89.06017	0.9
91.03916	4.4
91.05466	3.5
92.09297	1.1
93.07013	7.1
95.04961	1.0
95.08586	4.1
97.02866	6.4
97.06523	0.8
99.04449	0.9
100.71183	0.6
101.02371	1.3
105.06986	1.2
107.08591	2.6
107.47811	0.5
109.10128	2.1
117.07024	1.0
119.08576	0.9
119.37224	0.5
121.10104	4.5
122.34527	0.5
131.08524	0.6
133.10057	0.6
135.11786	0.6
145.10086	0.5
149.13271	1.0
159.11674	0.6
166.67599	0.5
185.04167	0.7
232.83945	0.6
235.13155	0.6
243.08380	2.0
292.01746	0.5
307.22729	0.6
331.51712	0.6
382.45267	0.5
453.20746	5.3
491.26181	8.2
703.40149	100.0
704.40070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28875	0.9
53.03922	1.6
53.38648	0.7
53.83705	0.8
55.01872	8.0
55.05236	2.5
55.05506	76.3
57.03431	27.4
57.07060	2.0
57.89841	0.8
59.04986	1.4
61.02920	7.5
65.03929	1.2
67.05492	76.2
69.03422	11.7
69.07055	23.1
71.04951	1.0
72.88791	1.0
73.02884	0.9
79.05477	53.9
81.07040	73.0
82.10292	0.9
83.04969	6.2
83.08115	1.9
83.08606	52.6
85.02888	5.6
85.06515	1.4
87.04479	1.3
91.03929	1.5
91.05464	18.7
93.07027	54.0
95.04926	4.8
95.08015	2.1
95.08588	41.3
97.02868	4.2
97.06541	1.4
97.10152	100.0
99.08013	1.3
101.09647	1.7
105.07011	13.4
107.08578	53.2
109.06487	1.7
109.10147	25.2
111.08053	4.8
117.06999	10.8
119.08536	11.7
121.10137	13.9
121.39954	1.0
123.08048	1.4
123.11696	6.9
125.09613	94.9
128.07147	1.0
131.08562	9.5
133.10121	10.5
135.08044	11.6
135.11688	11.3
143.10645	4.6
145.10112	6.0
147.11655	6.5
147.53813	0.9
149.13312	8.1
153.09103	4.4
155.44800	1.1
159.11633	5.7
161.13228	3.7
163.14774	2.3
171.10098	1.4
173.13223	5.8
175.14781	2.0
180.35332	1.0
189.11194	56.7
227.12756	80.6
228.73769	1.0
243.20993	6.2
245.13791	90.2
261.22098	22.2
279.22937	1.5
317.24622	2.5
335.25732	63.1
431.31390	1.5
487.34164	7.2
505.35117	38.4
516.58411	1.1
517.96954	1.1
523.35938	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	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64684	1.4
53.00274	1.2
53.03937	1.1
55.01863	6.4
55.05507	85.1
57.03433	27.9
57.07064	2.9
59.04990	2.6
61.02908	8.5
65.03931	1.9
67.05493	83.8
69.03418	12.8
69.07048	25.8
71.08606	2.3
78.17206	1.1
79.05475	57.2
80.17818	1.2
81.07043	73.5
83.04971	6.5
83.08605	50.8
85.02879	7.6
85.06551	2.2
91.05457	22.9
93.07025	48.6
95.04949	3.1
95.08591	44.5
97.02874	1.9
97.06526	2.0
97.10150	100.0
105.06994	12.5
107.08579	54.0
109.10138	20.9
111.08064	3.1
117.07034	10.1
119.08569	12.5
121.09353	2.0
121.10141	23.7
123.11686	6.3
125.09611	87.6
131.08566	9.4
133.10107	7.9
135.08035	9.8
135.11676	14.8
138.08841	1.5
143.10634	1.6
145.10120	8.0
147.11685	3.0
149.13234	6.9
151.82784	1.3
153.09122	3.1
159.11694	3.2
161.13322	2.4
163.14830	2.1
171.10130	2.9
173.13239	6.4
189.11189	50.3
202.31306	1.2
227.10486	1.7
227.12743	64.9
227.20090	6.8
243.21014	5.7
245.13814	74.7
261.22046	23.2
279.23083	2.1
335.25754	79.1
335.29819	3.2
442.55280	1.5
487.33868	6.2
505.35120	59.9
523.36316	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	703.1654
Annotation	Spicatiside
Peak:m/z	Relative Intensity
55.01853	0.5
67.01858	13.2
68.99772	6.5
69.03414	0.6
81.03406	1.8
85.02882	1.9
91.05470	1.8
95.04964	0.6
97.02876	1.9
111.00787	1.0
119.04900	5.2
121.02094	0.5
121.02843	4.4
123.04401	4.3
123.08154	0.4
125.02299	0.9
127.03902	0.9
129.01833	2.3
131.04898	0.7
135.04529	0.5
135.47176	0.4
137.05934	0.5
139.00212	5.2
145.02843	0.8
151.03899	2.4
153.01814	43.0
163.03938	1.0
165.74826	0.5
170.02112	1.7
171.02861	36.2
179.03375	5.6
185.06032	0.5
186.01305	0.6
187.03854	0.7
197.06013	0.6
241.05031	0.8
242.05708	4.0
243.06544	0.6
257.04407	38.5
269.04437	2.1
270.05191	17.2
271.06097	0.8
273.04034	0.8
285.03943	8.2
286.04639	6.2
363.08594	3.5
375.08517	0.5
389.10129	84.3
390.10214	0.7
415.08167	6.5
425.57440	0.6
515.25983	0.6
541.11237	100.0
542.11768	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	703.1657
Annotation	Spicatiside
Peak:m/z	Relative Intensity
53.00285	0.2
53.03933	0.3
54.81581	0.2
55.01859	0.5
57.03418	0.3
61.02893	0.5
63.15339	0.2
67.01856	10.5
68.99438	0.3
68.99779	6.0
69.03071	0.3
69.03416	4.1
73.02872	0.3
73.18600	0.2
79.15170	0.2
81.03401	2.6
83.01316	0.9
85.02889	3.7
85.06512	0.2
86.09663	0.2
91.05439	0.9
97.02870	2.9
99.04447	0.3
105.06979	0.3
107.04967	0.4
109.02868	0.4
111.00805	1.8
111.04355	0.3
119.04903	1.2
120.05685	0.3
121.02840	13.9
125.02318	1.4
127.03867	1.1
129.01828	2.2
129.07014	0.3
131.04886	0.4
133.06474	2.4
137.05989	0.9
145.02812	1.6
147.04375	0.6
153.01810	44.9
153.66820	0.3
157.06473	2.7
159.04381	2.1
161.05981	0.4
161.86852	0.2
163.03896	2.4
171.02856	25.8
173.05983	1.2
177.05432	2.2
179.03362	1.0
183.04448	1.1
185.04457	0.3
185.05991	1.6
187.03871	1.2
192.00462	0.2
195.02966	0.4
197.05942	1.0
201.05472	0.4
205.83479	0.2
211.03935	1.2
213.05521	0.2
219.02998	0.3
223.04079	0.3
225.05437	1.1
227.03462	0.4
229.04985	1.4
241.04918	0.3
242.05725	2.3
247.05872	0.3
251.03270	0.4
253.04903	3.5
255.02853	1.4
269.04581	0.3
269.07968	0.3
270.05176	7.1
271.05933	2.9
279.02872	1.2
297.04068	1.8
317.08002	0.3
319.09848	0.6
329.08258	0.4
345.07672	0.4
346.08624	0.3
347.09171	1.3
361.10730	0.6
363.08606	1.6
371.09067	0.9
373.07126	0.5
375.08649	0.6
389.10126	82.5
390.10507	1.7
414.29645	0.2
415.08026	11.8
487.17270	0.3
499.10141	0.8
532.82648	0.2
541.11224	100.0
542.11163	1.9
566.24994	0.3
702.47723	0.6
703.16327	2.6
703.31378	4.4
703.43964	0.3
703.48462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.8
54.81484	0.4
55.05492	1.2
57.06823	0.5
57.07069	10.0
58.06570	2.7
65.03923	5.2
67.05485	1.1
69.03383	0.5
69.07043	1.0
70.06210	0.8
70.06576	23.4
71.08614	3.7
71.95488	0.5
72.08126	0.7
73.68250	0.5
79.05473	0.6
81.07015	0.6
81.71162	0.5
84.08128	1.9
85.10157	0.8
86.09665	1.0
88.07610	23.2
91.79473	0.4
93.06996	0.5
93.65145	0.5
95.04945	0.7
102.09157	18.0
109.10110	0.8
117.69061	0.5
121.02859	2.6
129.06967	0.6
132.02039	0.5
132.10181	2.2
139.03871	3.8
146.11722	3.5
147.04410	0.7
149.02327	100.0
149.03404	7.8
150.02748	0.8
171.43832	0.5
175.03830	1.2
177.05502	0.9
193.04935	47.2
212.23587	0.7
219.06505	0.8
223.99675	0.6
224.07095	0.5
237.07539	7.7
238.25092	0.5
256.26279	43.3
280.42856	0.6
300.28940	8.1
301.77408	0.5
313.07196	0.7
341.06506	5.8
343.08679	0.6
359.07492	3.7
385.09106	11.5
403.10101	11.5
429.05972	1.1
429.11765	25.0
447.68704	0.6
452.91644	0.5
472.00067	0.6
473.14304	10.9
702.38342	80.1
703.38367	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01858	1.4
57.03425	3.3
57.31793	0.5
59.06399	0.5
60.64737	0.5
61.02922	4.0
63.47674	0.5
69.03420	6.8
71.04961	0.7
73.02931	0.9
78.17517	0.5
78.47096	0.5
79.05426	0.9
81.03390	4.0
85.02894	32.1
91.03964	0.7
91.05464	14.1
92.08704	1.0
95.04932	3.8
97.02875	10.4
99.04445	1.2
103.05450	3.4
105.07012	1.1
107.04951	3.6
109.02857	3.3
109.06488	2.6
115.05443	0.7
117.06995	0.9
119.04929	10.1
121.06487	3.5
122.03622	2.6
127.03913	5.1
129.06981	8.0
131.04926	3.7
133.06468	1.3
135.08054	3.6
136.05251	0.8
137.05960	59.6
145.04976	5.9
145.06473	2.9
147.08020	0.6
148.05145	0.6
149.05965	9.5
151.03912	1.2
151.07529	69.0
152.06190	0.6
157.06506	8.8
161.05949	8.2
161.09605	2.1
163.03940	0.7
163.06165	1.5
163.07494	16.7
163.08749	1.1
165.06975	2.5
165.09091	3.2
167.08507	6.5
171.66472	0.5
174.06731	6.0
175.07538	7.3
177.06911	0.7
177.09062	5.9
178.07767	2.6
181.06520	1.0
181.10146	0.8
184.39206	0.6
187.07570	1.0
189.09074	25.6
193.06445	1.1
193.10030	4.1
194.07257	0.7
195.08034	14.6
196.08775	0.8
203.08669	1.0
207.08168	0.7
207.10120	2.6
209.09647	2.3
210.06752	0.8
212.08406	1.3
219.10121	3.4
221.05960	5.1
221.09579	8.0
221.11432	0.9
223.07507	8.3
224.08226	1.3
225.05362	0.7
225.09056	3.7
227.10622	26.4
231.08044	0.7
234.06625	0.6
237.09138	1.2
238.06187	1.0
238.09818	0.7
239.10562	0.6
240.07715	1.2
241.12186	1.3
249.09081	3.6
253.08551	8.8
253.12172	10.1
254.09261	0.9
255.10100	22.6
256.10706	0.8
267.10141	3.9
269.08130	3.0
269.11533	2.0
270.08813	0.9
272.10477	3.5
281.11630	3.6
284.10303	0.8
285.11185	13.1
287.12726	29.0
297.10944	0.8
299.12625	2.7
301.14273	0.6
313.14279	18.6
331.15344	100.0
332.15698	1.3
343.15350	3.5
358.40213	0.7
472.74338	0.7
707.39856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39441	0.3
53.03936	0.4
55.01854	1.6
57.03414	2.3
61.02918	3.8
62.91190	0.4
67.05489	0.3
69.03417	7.7
71.04978	0.8
73.02884	0.6
79.05456	0.6
81.03381	3.3
81.07023	0.5
85.02892	33.0
86.90002	0.3
87.04429	0.5
91.03931	0.8
91.05457	14.1
92.09332	0.4
94.04168	0.7
95.04957	4.5
97.02868	9.2
99.04401	1.5
103.03925	0.3
103.05447	2.7
105.07025	2.5
107.04949	4.2
109.02844	3.0
109.06506	3.3
111.04422	0.6
115.05405	1.5
117.06970	1.5
119.04147	0.6
119.04930	13.9
121.06468	3.9
122.03636	2.6
123.04395	0.4
127.03882	5.8
128.06224	0.7
128.87950	0.3
129.06982	8.6
131.04921	6.2
131.08548	0.8
133.06421	1.6
135.08031	4.2
136.05177	2.0
137.05956	67.4
138.06273	0.7
138.33197	0.4
142.44942	0.4
143.04929	0.9
145.04964	4.9
145.06429	2.9
146.03552	0.5
147.04388	1.7
147.08018	1.6
149.05965	10.0
151.03978	3.5
151.07521	75.2
152.07858	0.5
157.06458	8.5
158.07220	0.7
159.04295	0.4
159.08073	1.5
161.05954	9.3
161.09610	1.7
163.03838	0.6
163.06064	1.6
163.07503	19.8
165.06952	3.2
165.09123	2.7
166.07655	0.5
167.07147	0.9
167.08508	8.9
169.06299	0.6
173.05873	0.4
174.06746	4.9
175.07492	5.4
176.08241	0.4
177.05569	0.6
177.06874	0.6
177.07396	0.5
177.09084	12.7
178.07715	2.0
179.08482	0.7
181.06427	2.0
181.10095	0.7
182.07204	0.6
187.07492	1.6
189.09076	25.5
193.06526	3.1
193.08551	0.6
193.10121	5.6
194.07262	0.7
195.08028	15.7
195.09898	0.8
196.08784	1.4
197.05954	0.9
197.09555	0.9
201.09143	0.9
203.08540	0.9
206.07173	0.5
207.08125	0.8
207.10092	3.3
209.05913	0.6
209.09593	2.6
210.06743	2.0
211.07573	0.9
212.08276	2.9
219.08266	0.5
219.10114	3.1
220.08707	0.5
221.05952	5.6
221.09555	7.5
221.11711	3.0
223.07507	7.4
224.08293	2.7
225.05534	0.5
225.09047	6.9
227.07152	0.8
227.10614	26.3
230.13148	0.4
231.07912	0.7
234.06567	0.5
235.07574	0.5
237.09012	1.9
238.06212	0.8
238.09877	0.4
239.06996	0.7
239.10580	0.8
240.07742	2.1
241.08676	0.5
241.12178	1.6
249.09102	4.2
251.06879	0.4
251.10620	0.7
252.07764	1.8
253.05980	0.4
253.08545	10.4
253.12173	13.3
255.10092	22.2
263.10568	0.6
265.08459	1.5
266.09351	0.8
267.10135	4.4
269.07953	3.1
269.11670	1.4
270.08734	1.6
272.10342	2.0
281.11636	4.2
284.10455	0.8
285.11157	13.8
287.12720	31.9
297.11032	0.7
298.12097	0.8
299.12698	2.1
301.14313	2.1
311.12494	0.8
313.10583	0.6
313.14285	19.7
325.14297	0.5
331.15338	100.0
332.15652	2.1
343.15195	2.3
453.34097	0.5
525.00781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12289	0.2
55.01858	0.3
57.03412	1.3
61.02898	1.2
64.33085	0.2
67.05458	0.2
69.03416	2.6
71.04977	0.4
73.02879	0.3
76.94390	0.2
79.05477	0.6
81.03400	0.6
85.02891	10.1
88.43435	0.2
91.03934	0.3
91.05460	11.7
92.08630	0.3
93.06995	0.4
94.04179	0.3
95.04948	4.1
97.02874	3.1
103.05430	2.4
105.07018	2.6
107.04929	3.4
109.02868	1.0
109.06519	2.9
111.04456	0.4
115.05447	1.3
117.07005	1.5
119.04916	11.9
119.08587	0.4
121.06471	4.2
122.03629	2.2
123.08067	0.6
127.03899	1.8
127.07285	0.2
128.06209	1.3
129.06982	8.3
131.04903	4.0
131.08533	1.0
133.06464	1.8
135.08034	3.5
136.05135	1.9
137.05952	57.6
139.07550	0.3
143.04919	1.6
145.04926	1.1
145.06450	2.4
146.03639	0.3
147.04382	0.4
147.08018	1.2
148.05106	0.4
149.04771	0.4
149.05957	10.2
151.03981	2.3
151.07521	70.8
152.06152	0.4
152.07874	0.6
157.06464	8.8
159.08075	0.3
161.05949	9.0
161.09605	2.6
162.06671	0.6
163.03830	0.6
163.07506	17.6
165.05742	0.3
165.06961	2.3
165.09091	3.9
167.08514	6.7
174.06726	4.2
175.07498	5.1
175.96748	0.3
176.08258	0.4
177.07080	1.0
177.09064	8.4
178.07748	1.4
179.08525	1.0
181.06453	1.1
181.08661	0.3
181.10101	0.6
182.07243	0.3
187.07501	0.5
189.09070	25.2
191.06908	0.3
191.10667	0.2
193.06502	2.5
193.08546	0.6
193.10094	3.9
194.07169	1.1
195.08025	15.3
195.09886	0.5
196.08780	0.4
197.05949	0.6
197.09654	1.2
199.11095	0.5
201.09085	0.3
203.08548	0.6
205.06635	0.3
206.07277	0.6
207.08032	1.1
207.10153	2.7
209.06017	0.5
209.09550	2.2
210.06757	1.8
211.07498	1.6
212.08313	2.6
213.09138	0.4
219.08121	0.6
219.10226	1.1
220.08949	0.5
221.05951	5.8
221.09572	7.2
221.11731	1.0
222.06709	0.3
222.10373	0.5
223.07498	7.3
224.08282	1.9
225.05493	0.4
225.09045	6.3
227.10623	21.4
231.08075	0.6
233.06062	0.3
233.09528	0.4
234.06738	0.6
235.07576	0.4
237.09007	2.5
238.06279	1.7
238.09776	1.1
239.06941	0.9
239.10622	0.6
240.07800	2.5
241.12163	1.0
247.47041	0.2
249.09023	4.1
250.05862	0.3
250.09888	0.4
251.10735	0.3
252.07649	0.6
253.05881	0.4
253.08553	9.2
253.12215	11.1
254.09306	0.4
255.10107	22.2
256.10712	0.3
263.10721	0.4
265.08585	0.5
266.09360	1.1
267.10086	4.4
269.08063	2.5
269.11731	1.4
270.08786	1.2
272.10321	2.1
274.09625	0.4
281.11652	4.0
284.10416	1.6
285.11163	12.9
287.12720	30.6
293.11649	0.3
297.11224	1.6
298.12088	0.4
299.12668	2.2
301.14325	1.2
311.12680	1.2
313.11050	0.3
313.14258	18.1
331.15335	100.0
331.65646	0.3
332.15680	1.7
343.15332	4.0
617.44824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
54.81714	0.3
55.01862	10.0
56.10762	0.3
57.03427	10.3
61.02914	3.9
63.45872	0.4
69.03413	37.7
71.04978	1.9
73.02896	7.2
81.03391	4.4
83.01324	0.5
85.02887	100.0
87.04446	1.4
91.03925	0.6
91.35413	0.3
97.02866	38.4
99.04427	10.5
101.02351	7.4
103.03949	0.4
109.02866	6.7
109.79607	0.3
115.03892	4.7
127.03886	87.8
133.04942	0.4
145.04935	62.7
146.05305	0.5
163.05965	20.9
180.08630	3.6
193.73940	0.3
198.09711	3.4
259.08051	3.1
276.25461	0.3
289.09064	5.4
307.10202	1.2
325.07672	0.6
325.11221	11.8
343.12180	2.1
360.15045	2.4
641.40149	0.4
655.16290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49490	0.1
54.81675	0.1
55.01855	0.1
57.03419	0.3
59.87582	0.1
61.02906	0.2
62.71203	0.1
66.04700	0.1
69.03412	0.8
79.05460	0.4
81.03391	0.2
81.07020	0.4
85.02887	3.0
91.05465	0.9
93.03368	0.1
94.04158	1.0
95.04951	0.2
97.02869	1.0
99.04387	0.1
103.05437	1.2
107.04931	0.4
109.02813	0.2
109.06496	0.6
111.04427	0.1
115.05450	0.4
117.06983	0.1
118.50229	0.1
119.04932	0.4
122.03619	4.4
123.08081	0.1
125.05956	0.2
127.03875	0.5
129.06998	1.1
131.04898	3.2
131.08498	0.9
135.04326	0.1
136.05154	0.2
137.05951	100.0
138.06250	0.6
141.06956	1.0
143.04893	0.2
144.05658	0.2
145.04935	0.4
145.06419	0.2
146.07224	0.1
149.06009	0.1
151.03947	0.1
151.07520	8.6
153.05428	0.4
157.06442	1.1
158.07216	0.4
159.07983	0.8
160.05141	1.0
161.05939	0.3
161.09686	0.1
163.07503	5.7
169.06459	0.6
170.07239	0.2
174.06717	2.3
175.07500	5.7
186.06723	0.5
187.07478	1.8
189.09065	5.6
189.10779	0.2
191.10626	0.4
191.38557	0.1
201.09073	2.6
205.08530	0.2
205.10127	0.3
207.10167	0.2
219.10123	8.9
233.09511	0.8
245.59904	0.1
250.09938	0.2
261.09033	0.5
265.12259	0.7
270.08902	0.1
278.09323	0.2
279.09924	0.1
283.09515	0.3
293.11670	1.2
294.12375	0.1
295.09668	0.2
297.11200	0.1
310.11920	0.1
313.14279	0.4
325.14279	14.0
326.14658	0.2
343.15372	0.5
380.46915	0.1
461.57849	0.1
542.90399	0.1
561.73846	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	700.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84039	1.7
55.05507	17.7
57.03421	16.0
57.07059	3.0
67.05489	73.1
67.82587	2.1
69.05186	1.8
69.07054	10.0
69.61201	2.0
71.04965	3.0
79.05476	26.9
81.07039	100.0
83.08588	4.9
85.06547	4.1
91.05447	18.1
92.08673	2.4
93.07014	27.6
95.08591	26.9
97.02863	2.6
105.07013	12.3
107.08582	12.6
109.10155	15.0
113.10415	2.2
117.07050	2.7
119.08549	2.9
121.10144	15.7
123.11707	15.5
131.08569	4.3
133.10120	12.1
135.11664	4.1
145.10086	2.8
149.13351	2.0
164.09341	2.2
187.13284	5.3
190.56670	2.1
243.15857	46.5
261.22073	3.2
335.25705	26.6
420.69345	2.2
421.55579	2.1
456.97485	2.5
476.08609	2.2
483.41879	2.3
503.37051	25.1
700.44507	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	700.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.1
57.03426	17.8
57.07070	3.1
59.61701	1.3
59.67384	1.4
61.02900	3.5
62.03285	1.4
67.05143	3.1
67.05495	83.8
69.07050	25.5
71.04961	2.4
79.05478	31.0
81.07039	100.0
83.04980	8.1
83.08611	14.2
85.02903	3.2
85.06526	2.9
91.05455	22.4
93.07030	44.7
95.04948	3.9
95.08592	39.1
97.02877	1.8
97.06524	6.8
97.10143	6.4
102.22072	1.7
105.07001	8.7
107.08574	21.7
109.06452	2.3
109.10149	9.9
111.08093	3.2
113.09644	1.8
117.06995	4.0
118.93540	1.5
119.08541	7.5
121.10109	15.4
123.08107	2.8
123.11707	4.2
133.10100	9.7
135.11658	4.0
147.11655	7.0
149.13219	14.8
159.11674	9.3
161.13197	2.3
195.13768	3.3
206.85835	1.7
235.20544	3.4
269.17432	36.2
309.24179	40.3
357.38724	2.0
503.37265	79.2
504.37799	2.4
700.44623	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	701.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	0.3
55.05440	0.3
59.28789	0.2
61.02837	0.6
67.01777	0.4
68.99710	0.7
69.03318	2.1
71.37930	0.2
73.02830	0.3
79.05390	0.3
80.24931	0.3
81.03294	1.4
81.06950	0.5
85.02779	2.1
85.03264	0.6
91.05366	1.0
92.08678	0.7
95.08492	0.5
96.10650	0.3
97.02760	1.4
105.06945	0.6
107.04893	0.4
109.02772	0.5
111.04351	0.4
117.06828	0.3
119.04781	1.2
119.08426	0.3
121.02856	7.3
127.03819	0.5
129.06880	0.3
131.04816	1.4
132.87352	0.3
137.05966	4.6
145.02702	1.9
147.04356	0.4
147.54324	0.3
151.07428	0.7
153.01814	7.2
159.39082	0.3
161.05824	0.6
163.03772	0.7
165.06715	0.3
171.02704	0.6
175.03580	0.5
175.10924	0.3
178.04851	0.4
183.04201	0.4
197.05867	0.7
199.03725	0.3
208.25209	0.3
219.36040	0.3
225.05357	0.7
227.03050	0.4
241.04651	0.4
242.05627	0.5
251.03290	0.8
255.06360	1.5
269.04364	1.5
270.05008	1.8
279.06442	0.6
283.05981	7.2
297.11115	0.4
305.04352	0.5
307.05927	4.8
311.05399	2.2
319.05869	2.1
321.07407	1.5
323.05490	0.3
331.05795	1.2
333.07370	0.4
335.05463	8.1
337.03564	0.5
345.07590	2.2
347.05475	11.2
349.07162	0.5
359.05380	4.1
361.03360	0.5
375.04868	1.9
376.05704	0.5
377.06509	14.7
387.08621	3.3
401.06195	0.4
403.04407	14.9
421.05627	3.3
445.05487	0.4
497.08450	2.6
535.09656	0.4
539.09650	100.0
540.10193	2.5
571.18457	0.3
581.10529	1.6
701.14954	24.7
701.26215	1.5
702.15875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76797	0.3
55.05509	0.4
55.81589	0.3
57.64235	0.3
58.79029	0.3
60.63625	0.3
62.66262	0.3
67.05483	1.6
78.81088	0.4
81.07053	0.5
91.05475	0.5
101.64308	0.4
105.07026	0.6
109.10158	0.4
185.04184	0.6
234.96523	0.4
256.26428	0.4
259.07938	0.5
347.09482	0.9
539.31836	26.5
620.77362	0.6
701.37103	100.0
702.37238	3.2
702.88513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81404	1.3
55.05497	9.9
57.03426	8.5
57.07068	69.2
61.02911	23.0
67.05492	26.3
69.03405	2.6
69.07058	15.6
70.25628	1.3
71.08613	47.9
73.02892	10.2
75.04466	1.9
79.05467	3.3
81.07032	31.4
83.08614	13.7
85.02883	20.9
85.10168	27.2
87.18119	1.4
88.56231	1.4
89.06002	1.9
91.03931	16.3
91.05470	2.2
93.07035	6.8
95.08585	43.6
97.02856	10.2
97.10143	15.4
105.06984	2.3
109.10139	20.5
111.11720	7.0
112.02608	1.5
119.08563	2.0
122.07917	1.5
123.11653	6.0
127.03891	2.9
142.80972	1.6
145.04913	2.8
151.98094	1.8
163.06000	7.8
267.26797	19.2
285.27890	7.2
303.36029	1.7
333.20184	2.6
341.30441	100.0
342.31134	1.8
342.64355	1.9
359.31470	34.7
417.20386	1.9
505.12088	1.7
529.85571	1.7
699.43707	8.5
700.44879	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	27.9
57.03432	82.7
57.07065	3.1
58.33421	2.3
61.02896	3.1
63.81813	2.2
67.05495	57.7
69.07066	19.8
71.01339	5.5
79.05475	56.4
81.03410	3.2
81.07038	61.2
83.04967	10.7
83.08614	29.1
85.02902	4.3
91.05445	14.8
93.07031	75.3
95.08587	51.7
97.03876	2.7
105.07021	13.7
107.08560	13.3
109.10140	17.0
111.08050	2.5
118.48012	2.4
119.08590	6.0
121.10124	55.2
123.11679	5.3
131.08539	10.9
133.10129	5.0
139.11159	14.4
149.09627	5.3
167.10617	5.2
241.11989	5.5
241.14301	100.0
334.31769	2.7
337.27374	33.4
338.11176	2.7
346.43976	2.8
375.16089	3.2
503.37164	45.2
617.89819	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52292	1.3
53.93970	1.6
55.05510	10.9
57.03431	6.8
57.07070	64.9
58.64899	1.2
61.02921	26.6
67.05496	19.3
69.07059	15.0
70.25298	1.3
70.57858	1.4
71.08247	2.5
71.08620	48.9
73.02905	9.0
79.05482	2.1
81.07050	26.0
83.08594	13.8
85.02894	23.3
85.10165	26.6
89.06062	1.4
91.03950	20.8
93.07031	8.4
95.08595	40.2
97.02872	12.6
97.10135	13.0
109.10155	20.2
111.11730	5.9
123.11681	7.7
124.20796	1.6
125.08569	1.5
127.03911	3.7
137.13229	2.7
145.05031	3.0
147.90759	1.3
151.14758	2.1
163.06001	9.6
184.07321	2.8
222.73422	1.6
267.26675	11.9
285.27972	2.9
339.97321	1.7
341.30457	100.0
342.30350	1.7
359.31540	35.9
375.20798	1.6
699.44208	8.4
700.44562	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	700.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.9
53.03925	1.1
55.01863	7.3
55.05502	9.1
57.03428	9.5
57.07062	8.7
61.02915	13.0
67.05499	11.5
69.03410	4.2
69.07060	10.5
71.01320	0.9
71.04969	1.3
71.08614	9.0
73.02885	4.2
79.05473	10.6
81.03404	11.0
81.07030	16.3
83.04960	2.1
83.08613	10.6
85.02893	15.9
85.06535	1.3
85.09703	1.4
85.10172	21.4
91.03939	9.0
91.05465	15.6
92.08645	2.0
93.07022	22.1
95.04964	9.7
95.08585	18.9
97.02874	6.1
97.06502	4.2
99.04456	1.3
99.08070	9.3
105.07008	7.8
107.04907	1.8
107.08558	6.4
109.02811	1.0
109.06501	1.9
109.10149	8.1
111.08064	8.5
113.09634	27.4
117.07029	0.9
119.08553	14.4
121.06483	3.3
121.10157	8.2
123.08041	1.7
123.11690	1.1
127.03910	4.7
129.07008	0.8
131.04897	1.4
131.08530	1.9
133.10095	11.3
135.08022	4.4
135.18979	0.9
137.05972	9.7
137.09587	15.3
139.11107	1.7
143.08527	0.9
145.04918	1.5
147.04453	1.6
147.08015	2.0
147.11661	2.0
149.09579	1.9
151.03947	1.1
151.11166	10.7
154.81938	0.8
155.10663	4.5
161.09557	1.0
161.13258	1.1
165.09167	1.7
165.12746	13.6
169.08562	6.1
169.12221	1.6
175.11092	1.1
177.09018	1.1
179.10622	1.0
187.13237	4.8
201.61922	1.0
203.17924	6.6
221.18977	12.5
231.17371	1.7
241.14296	1.8
249.18459	18.1
267.19452	4.8
323.22128	36.3
323.25897	1.5
341.23178	100.0
342.23395	1.3
467.25702	1.1
485.27112	3.5
503.28412	7.3
537.20404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
55.01854	1.1
57.03417	0.3
60.73528	0.2
61.02903	0.2
64.33099	0.3
65.03928	0.4
68.74202	0.2
69.03413	1.7
71.05000	0.2
72.15768	0.3
79.05468	1.5
80.19634	0.2
81.03391	0.6
81.07027	0.3
85.02891	5.6
90.81726	0.3
91.05476	2.8
91.57132	0.3
92.63676	0.3
92.92425	0.2
93.25669	0.2
94.04156	1.9
95.04932	0.6
97.02869	1.5
99.04433	0.4
103.05442	1.3
105.07015	7.1
107.04926	1.3
109.02842	0.4
109.06500	2.5
115.05409	2.0
115.59739	0.3
117.06994	1.2
119.04897	0.5
119.08552	1.5
121.06474	1.1
122.03629	5.4
127.03905	1.3
128.06187	1.6
129.06989	2.2
131.04924	1.4
132.05693	1.6
133.06471	6.5
137.05959	100.0
138.06300	0.5
141.07028	0.4
143.04825	0.3
144.05690	0.7
145.04958	0.5
145.06480	1.6
146.03650	0.4
147.04395	1.1
147.08046	2.5
149.05943	2.6
151.07481	2.0
155.04869	2.2
156.05649	0.3
157.06464	0.5
159.08006	3.6
160.05173	1.5
161.05957	15.6
163.07495	0.6
165.06813	0.4
167.07057	0.5
171.08064	0.5
172.05177	2.3
175.07512	17.4
177.05431	0.3
179.06981	0.4
187.07501	13.7
189.06934	1.3
189.09108	1.1
190.07715	4.0
191.08528	18.4
192.08961	0.4
193.06609	0.3
193.08565	0.4
199.07498	5.3
202.07748	1.6
203.08574	3.3
205.06509	0.6
205.08441	0.3
207.07980	0.5
208.08789	1.5
212.65173	0.3
217.06607	0.4
217.08463	0.9
218.07277	3.2
219.08020	23.3
220.08727	3.2
221.05977	0.5
221.09557	0.6
223.11090	0.4
229.07649	0.3
231.08023	4.2
232.08801	1.0
233.09557	1.1
235.07462	1.1
236.08295	4.2
237.08984	0.5
246.06810	0.5
247.07494	9.4
248.08247	2.7
249.09010	0.5
250.09808	0.4
251.10619	44.1
252.10971	0.5
253.08574	1.1
258.06763	0.3
259.07434	1.9
260.08279	1.5
261.09042	1.5
263.07001	0.3
263.10617	1.7
264.07755	2.4
265.08615	1.6
266.08966	0.3
267.10065	0.4
276.07693	1.5
277.08539	1.2
278.09387	0.3
279.10101	25.1
280.10828	2.2
281.08038	2.0
281.11246	0.4
283.12946	0.4
291.10138	4.7
292.10715	1.3
296.10385	2.6
308.10544	0.3
311.12717	57.2
312.13046	1.3
313.14310	0.4
323.12695	10.1
325.14236	0.3
329.13809	2.4
341.13773	7.0
341.17593	0.3
503.18964	1.3
650.60870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22884	0.5
55.05503	4.1
67.05507	4.9
67.50196	0.6
69.07061	2.8
73.83225	0.6
78.42012	0.7
79.05489	3.4
80.95884	0.6
81.07023	5.0
83.04955	0.7
83.08602	1.1
86.90529	0.7
87.99764	0.6
91.05449	1.4
92.09364	1.6
93.07050	3.4
95.04987	0.7
95.08598	3.4
97.06480	0.9
105.07026	1.3
107.08624	2.7
109.10157	1.4
111.04488	0.8
117.07029	0.8
119.08578	2.9
121.10159	1.7
131.08594	0.7
147.11745	0.8
160.68379	0.7
169.19342	0.7
245.66428	0.8
333.20276	13.7
333.23502	0.8
378.61002	0.8
389.22836	6.8
544.25336	0.9
699.44330	100.0
700.44891	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	700.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63552	0.1
53.03936	0.2
54.32541	0.1
55.01859	0.3
57.03419	0.7
61.02907	1.3
65.03925	0.6
65.17314	0.1
69.03413	2.2
70.06577	0.2
71.04960	0.6
71.18124	0.1
73.02892	0.3
79.05456	0.3
79.29558	0.1
81.03389	1.4
81.07040	0.6
85.02888	7.7
89.47051	0.2
91.03930	0.2
91.05460	1.3
93.03380	0.6
94.04156	0.9
95.04974	0.2
97.02862	2.1
99.04420	0.3
103.05430	1.3
107.04943	0.3
109.02867	0.7
109.06479	1.1
111.04438	1.0
115.05419	6.6
117.06997	2.2
119.04917	0.3
122.03613	3.8
125.05987	1.1
127.03876	1.3
128.06169	0.7
129.06967	5.6
131.04897	3.4
131.08524	0.2
133.02797	0.3
137.05948	76.4
138.06297	0.8
143.04890	12.5
144.05653	1.4
145.04932	1.5
145.06459	1.6
146.03616	0.3
147.04370	0.6
147.08070	0.3
149.05995	0.3
151.03886	0.8
151.07503	0.7
153.05424	2.1
157.06450	4.5
157.07631	0.3
158.07228	0.3
160.05159	17.9
161.05936	2.2
161.09483	0.2
163.07489	1.9
165.05438	0.3
165.06769	0.2
172.05147	2.5
173.05986	1.1
174.06715	2.6
175.07500	100.0
176.07829	1.4
177.05412	0.3
177.09090	0.6
180.08673	0.6
185.05908	0.2
187.07494	39.7
188.07951	0.7
189.09077	6.2
191.06973	0.2
191.08546	0.5
193.08611	0.3
196.05135	0.2
199.07498	0.3
202.07722	0.2
203.08492	2.0
205.08556	13.6
211.07443	2.4
213.05482	0.1
217.08531	2.7
219.08015	1.6
220.08812	0.6
227.06873	0.6
231.07965	2.1
232.08778	0.2
235.09595	22.3
236.09998	0.2
237.09132	0.2
239.06985	1.3
240.07643	0.7
247.07463	0.9
248.08238	2.3
251.10570	0.9
255.06366	1.5
256.07272	0.5
259.07477	1.2
260.08218	0.3
263.10599	2.4
264.07727	0.5
265.08575	0.2
268.07098	0.3
270.08643	1.7
271.09586	2.6
276.07718	1.2
277.08591	0.3
279.10098	2.2
280.10895	0.2
281.07977	0.2
283.09579	0.3
291.10074	4.7
292.10529	0.2
293.07913	0.3
296.10278	0.9
308.10260	0.7
309.10837	0.2
311.12698	1.4
323.12665	4.0
341.13739	8.7
360.31128	0.2
712.65302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91846	4.5
54.81124	4.7
55.05502	35.3
55.97881	4.3
67.05495	64.2
69.07056	36.8
71.04983	6.7
75.06947	5.1
79.05490	34.0
81.07042	87.5
82.16153	4.7
83.08624	27.5
90.72632	5.3
91.05455	11.9
93.07005	46.1
95.08584	100.0
97.06542	11.0
99.57362	5.9
102.30336	4.7
105.06982	9.3
107.08591	32.5
109.10140	54.5
119.08539	8.0
121.10071	46.8
123.11652	8.4
125.09696	6.3
127.11199	6.8
133.10146	12.9
135.11693	8.0
139.11163	8.5
145.10086	9.6
147.11644	7.6
149.13286	7.1
150.51070	4.7
215.17879	7.7
233.19005	9.8
251.20062	74.2
269.21057	80.6
293.12863	5.2
395.31454	9.9
501.39621	39.2
519.40149	10.0
537.41150	26.5
551.54852	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	699.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20978	0.5
55.05503	3.3
57.03425	0.9
57.07057	0.6
60.49673	0.5
65.19437	0.5
67.05500	7.4
68.99805	0.5
69.07055	3.4
69.17387	0.5
72.22643	0.6
79.05479	5.9
81.07040	9.7
83.04999	0.9
83.08636	0.8
83.74815	0.6
84.57289	0.6
91.05470	4.1
92.62876	0.6
93.07020	5.4
93.29140	0.6
94.06555	2.3
95.04958	1.0
95.08582	5.8
95.33129	0.6
105.07036	3.4
107.08598	3.1
109.06473	0.7
109.10139	0.9
117.07017	0.9
119.08558	2.3
121.10171	2.8
123.65751	0.6
131.08594	1.0
133.10124	1.1
137.28928	0.6
145.10056	0.6
147.11665	1.4
149.09721	0.6
153.01790	5.3
154.02188	1.3
169.75641	0.6
171.02882	3.6
262.25302	5.6
263.25662	1.1
273.07553	1.5
274.08002	1.4
275.08173	0.9
278.70877	0.6
333.20300	17.3
349.33969	0.6
389.22894	7.6
461.24915	0.9
502.36664	0.6
519.49323	0.6
585.27710	0.8
606.13788	0.7
692.00488	0.8
699.44305	100.0
700.44489	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	699.445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	23.2
55.69031	3.0
57.03434	61.8
57.48652	2.5
67.05493	58.2
69.07055	16.0
71.01343	5.0
79.05482	60.2
80.05822	6.8
81.07045	44.3
82.07359	4.2
83.04977	4.3
83.08607	19.2
85.02867	3.0
91.05470	23.8
92.09328	11.8
93.07027	78.6
94.07373	11.4
95.04973	3.5
95.08572	34.3
97.06513	3.0
105.07023	19.7
107.08571	15.2
109.10140	7.4
119.08566	12.9
121.10144	38.7
122.10439	4.6
131.08562	14.3
133.10085	5.0
135.11700	5.1
145.10085	5.0
147.11679	5.1
167.10646	3.5
178.49361	3.4
183.83731	3.2
241.14255	42.2
242.14589	16.4
262.25201	7.3
274.93665	3.4
278.64969	3.9
333.20346	7.4
335.25671	15.7
336.26474	5.0
360.44675	3.2
401.00922	3.8
407.16846	3.2
501.35507	6.1
502.35785	22.4
650.25110	4.5
698.42554	4.4
699.33112	4.7
699.44360	100.0
700.44745	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	698.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79630	2.7
55.01847	4.3
55.05497	19.1
55.58669	3.0
56.05016	3.9
56.16945	2.9
57.03428	28.9
57.07062	13.5
57.07344	2.8
57.40355	2.7
59.04533	2.9
61.02908	14.8
67.05490	79.9
69.07056	32.6
71.01307	3.8
74.68342	3.4
79.05479	76.7
81.03390	6.8
81.07037	64.8
82.06583	4.9
83.04958	5.7
83.08598	18.7
85.02869	8.5
91.05448	35.5
93.07019	100.0
94.06544	25.5
95.04942	7.1
95.08572	59.4
96.08122	4.1
97.06496	4.7
97.10105	3.9
105.07023	28.2
107.04931	4.8
107.08563	30.3
107.62154	4.1
109.10144	21.3
119.08549	20.7
121.10104	53.0
122.09597	3.8
123.08047	4.4
123.11694	4.5
131.08514	21.9
133.10088	14.4
135.11665	6.4
145.10059	5.5
149.09508	4.4
149.13246	6.2
159.11644	3.9
167.10602	6.4
172.77936	3.2
240.86090	3.5
241.14323	43.5
250.25185	4.5
260.74530	3.6
261.21973	5.6
262.25201	88.4
335.25613	40.7
465.73633	3.9
501.35492	44.8
518.49420	5.7
680.54395	4.4
698.43018	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	698.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34409	0.7
52.25368	0.7
53.00314	1.6
53.03947	1.7
54.81070	1.1
55.01863	3.2
55.05507	28.1
56.55931	0.7
57.03431	21.0
57.07058	4.8
61.02913	6.6
62.47901	0.7
65.03923	1.7
67.05497	74.4
69.03430	1.7
69.07062	25.5
70.42216	0.8
71.04961	4.1
73.02908	1.1
77.03870	1.2
79.05475	69.9
81.03392	1.7
81.07041	90.1
82.01634	0.7
83.04966	6.0
83.08612	11.7
85.02892	5.2
85.06532	4.5
91.03922	1.2
91.05465	30.0
93.07027	99.9
95.04959	9.2
95.08589	37.3
97.02892	1.6
97.06524	9.4
97.10159	1.5
99.08066	5.2
105.07024	18.9
107.04925	1.1
107.08583	41.6
107.09303	1.8
109.06522	2.0
109.10146	14.1
111.08047	7.4
111.11702	1.0
117.07012	11.3
119.08548	10.0
121.06530	1.1
121.10126	35.7
123.11688	4.5
125.09609	1.3
131.08557	16.1
133.10100	13.6
135.08047	1.3
135.11650	16.5
139.11150	1.2
145.10127	7.2
147.11673	5.9
149.13229	23.0
151.11142	0.9
159.11653	13.1
161.13235	1.2
163.11212	1.5
173.13251	1.9
177.12709	4.2
195.13805	4.5
205.19688	1.1
215.17921	10.1
233.19017	8.3
241.14339	1.5
269.17416	40.8
272.74689	0.9
273.37656	0.8
289.21716	0.9
306.08588	0.9
307.22632	45.9
493.38687	3.2
501.35669	100.0
502.36023	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.6
53.03930	2.9
55.01859	3.1
55.05505	21.2
57.03428	75.4
57.07060	3.1
57.13515	0.4
59.04962	0.6
61.02916	5.9
61.79900	0.4
65.03928	1.0
67.05490	63.0
68.05789	0.6
69.03404	3.0
69.07056	15.7
71.01341	7.4
71.04982	4.2
71.08631	0.5
73.02905	1.1
79.05473	75.5
81.02300	0.5
81.03399	5.6
81.07036	55.7
83.04967	9.8
83.08116	1.3
83.08604	29.1
85.02890	5.4
85.06535	2.0
91.03940	2.1
91.05460	27.2
92.08680	1.0
93.07020	100.0
94.06591	0.7
94.07379	0.7
95.04943	6.9
95.08582	47.3
97.02845	2.5
97.06493	3.6
97.10146	3.8
99.04443	0.6
99.08080	0.9
105.07017	18.8
107.04928	2.2
107.08574	27.4
109.06508	1.2
109.10139	15.4
111.08047	2.2
116.06163	0.8
117.07018	5.9
119.08553	13.6
121.06506	1.1
121.10117	68.8
123.08022	2.8
123.11703	4.3
125.09609	2.3
129.06952	1.1
131.08551	17.3
133.10106	7.9
135.11662	11.8
137.09575	2.9
137.13182	2.0
139.11159	18.0
143.08401	0.6
145.10109	6.4
147.11667	6.2
149.09586	6.6
149.13249	7.3
157.10069	0.8
159.11694	4.8
161.13219	4.6
163.14810	3.1
165.12874	0.6
167.10635	11.2
171.11615	0.8
173.13223	4.5
175.14818	2.1
185.11716	1.3
185.13264	0.9
185.53928	0.6
187.14777	2.4
195.11774	0.6
199.14853	1.0
201.16301	1.0
211.14748	0.7
239.12737	3.7
241.14287	90.9
243.16005	0.7
243.21033	5.1
259.20514	0.7
261.22058	15.4
262.25146	4.7
271.39935	0.6
297.22000	0.6
299.23694	0.6
317.24619	2.3
335.25735	37.3
409.30914	3.3
427.32019	0.8
483.34586	2.1
493.39011	0.6
500.47955	0.6
501.35648	57.3
502.35840	0.9
518.48450	0.8
519.36389	3.1
589.11414	0.6
697.43530	0.6
698.42194	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14373	1.4
53.84216	1.3
54.61138	1.3
55.05506	42.4
57.03429	13.2
57.07068	23.5
61.02907	36.8
63.21484	2.0
67.05492	51.2
69.03437	2.2
69.07056	58.4
71.04962	4.0
71.08617	14.7
73.02897	10.6
79.05470	24.2
81.07034	53.5
83.04939	2.2
83.08603	55.1
85.02885	36.7
85.10181	4.0
85.15578	1.6
91.03937	28.1
91.05428	2.8
93.07025	38.3
93.84609	1.5
95.08584	61.7
97.02847	19.2
97.06523	9.0
97.10136	32.9
99.04464	2.0
107.08582	25.7
109.10137	25.9
111.08081	9.0
111.11714	12.9
115.49853	1.7
116.98417	1.7
119.08563	2.3
121.10117	51.8
123.11685	9.9
125.09619	3.9
127.03879	9.6
135.11656	45.5
137.13255	3.6
139.11162	2.8
145.04956	8.3
149.13255	19.4
151.14787	6.8
163.06070	12.2
163.14806	4.1
177.16338	2.5
178.76746	1.6
206.24048	1.9
247.24170	27.7
265.25211	69.2
265.27917	3.1
283.26352	11.7
286.08609	1.9
316.89072	1.8
339.28854	100.0
357.29913	64.2
368.21597	1.9
501.33554	3.0
534.22754	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05273	2.5
55.05507	50.3
57.03421	12.8
57.07064	27.2
61.02917	56.5
67.05488	55.5
67.48296	1.8
69.03413	2.7
69.07056	94.9
71.04976	4.6
71.08617	17.0
73.02906	17.3
75.04442	2.6
75.65755	2.1
79.05477	31.5
79.55393	2.1
81.07038	78.3
83.08605	72.5
85.02888	52.8
85.06530	3.9
85.10168	12.6
91.03947	39.1
91.05460	3.0
93.07027	40.0
95.04939	2.1
95.08589	83.4
96.63428	2.5
96.84873	2.1
97.02873	31.2
97.06496	16.3
97.10147	43.5
99.04440	2.9
99.08069	3.1
105.07027	3.5
107.08591	29.0
109.02896	2.0
109.10139	40.3
111.08048	5.1
111.11700	13.6
121.10110	55.4
123.11678	15.4
125.13199	3.0
127.03876	11.3
135.11670	45.2
137.13261	3.2
145.04915	14.4
149.13222	25.7
151.14825	2.6
152.75070	2.1
163.06017	22.2
163.07156	2.2
163.14815	9.2
165.16357	2.9
177.02826	2.2
181.15768	2.4
247.24194	43.0
265.25226	88.8
283.26138	14.7
339.28888	100.0
357.29913	76.7
544.02936	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	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33843	1.0
52.43564	0.9
53.00304	1.0
53.03931	1.0
54.91539	0.9
55.05507	44.3
57.03439	13.1
57.07071	23.4
58.43825	1.0
60.15214	1.0
60.15584	0.9
61.02915	34.7
65.90759	1.0
67.05495	44.4
69.03413	5.4
69.07057	67.4
71.04980	2.5
71.08621	13.0
73.02914	12.1
75.04482	2.0
79.05472	22.2
81.03413	2.6
81.07040	54.4
83.04930	1.4
83.08604	45.1
83.09101	2.1
85.02892	39.4
85.06525	2.6
85.10187	6.0
91.03404	1.5
91.03941	27.7
91.05489	2.1
93.07027	30.9
95.04984	1.4
95.08585	68.4
96.71242	1.1
97.02887	16.5
97.06528	10.2
97.10150	31.8
99.04422	1.3
99.08084	1.7
100.22376	1.1
104.60651	1.0
105.06983	1.9
107.08594	19.1
109.10143	27.3
111.08070	6.4
111.11682	8.2
113.09654	1.7
115.03872	1.6
121.10124	42.4
123.11669	9.4
127.03906	9.6
131.08565	1.4
133.10150	1.3
135.11674	28.3
137.13210	3.7
139.11105	2.1
145.04942	8.9
149.02321	1.5
149.06007	2.2
149.13229	14.7
151.14799	5.0
153.12727	1.3
163.05969	10.3
163.14825	7.3
165.16336	1.8
177.16396	2.5
247.24156	25.9
265.25211	66.3
283.26324	13.5
295.94791	1.3
339.28888	100.0
353.85327	1.1
357.29919	58.1
357.34344	1.9
501.34088	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	697.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47782	2.6
52.31701	2.8
55.05494	5.3
61.02906	22.9
67.05493	27.3
69.03419	6.5
73.02885	4.5
79.05461	5.7
81.07026	23.9
83.08598	4.2
85.02878	15.0
91.03917	6.0
91.05450	3.8
93.07021	20.9
95.08572	8.3
97.02889	17.2
98.79918	3.2
105.07021	4.4
107.08569	13.0
109.10155	17.7
118.84071	3.5
121.10092	5.0
131.08574	3.9
135.22534	3.2
185.04184	4.7
191.65666	3.7
221.11566	3.7
243.08316	6.0
257.18378	3.4
262.22220	4.8
301.08914	8.0
302.30270	4.2
315.10519	4.9
371.16492	5.1
413.17749	31.6
425.21408	5.6
453.20578	6.6
485.19867	6.5
567.31036	21.1
596.31329	8.2
601.67029	4.4
625.31824	100.0
686.94891	4.0
697.34039	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01864	6.3
55.05502	18.0
57.03425	9.2
61.02911	18.7
63.52331	0.5
65.03918	0.9
67.05491	18.7
69.03407	5.5
69.07051	19.4
71.01317	0.5
71.04964	2.0
73.02892	5.4
76.78773	0.5
79.05470	27.4
81.03399	7.6
81.07034	69.8
83.04943	3.9
83.08597	18.3
85.02883	17.7
87.04411	0.5
88.14931	0.5
91.03938	11.5
91.04886	0.8
91.05457	19.8
93.07016	25.4
95.04945	11.0
95.08013	1.0
95.08585	22.0
97.02875	12.8
97.06508	6.6
99.04417	2.1
99.08063	2.1
103.03905	0.8
103.05412	0.8
105.07008	12.1
107.04929	13.3
107.08573	12.9
109.02881	1.0
109.06499	40.0
109.10133	8.5
109.72730	0.5
111.04385	0.6
111.08075	3.9
113.05960	0.8
117.06987	8.2
119.08554	18.7
121.06470	5.3
121.10115	15.3
123.04406	1.2
123.08032	5.8
123.11694	1.0
125.09614	1.2
127.03879	4.4
129.06970	1.1
131.04900	0.5
131.08545	11.9
133.06448	4.3
133.10077	6.7
135.08041	15.8
135.11696	3.2
137.05957	3.0
137.09589	13.7
139.11177	3.4
141.07011	1.8
143.08507	1.2
145.04866	3.5
145.06482	3.0
145.10115	8.7
147.04433	1.2
147.08037	3.4
147.11652	0.9
149.09596	21.1
151.07553	3.0
151.11177	2.6
153.09056	0.8
155.08591	0.7
157.10037	0.8
159.07961	1.1
159.11687	4.4
161.05986	0.7
161.09584	3.0
163.05974	3.1
163.07532	3.6
163.11145	7.4
165.09084	4.2
167.10594	0.8
169.08543	6.0
169.09978	1.4
173.09599	1.9
173.13254	1.2
175.11182	0.7
175.14700	0.8
177.09055	3.3
177.12695	0.8
177.16173	0.6
179.10558	1.1
185.11714	5.8
185.13191	1.0
185.26878	0.5
187.11127	2.3
187.14777	1.0
191.10622	0.9
201.16331	4.1
203.14240	0.5
211.14824	2.0
219.17352	2.7
229.15825	3.9
241.14185	1.0
247.16864	14.9
265.17941	4.6
321.20532	72.5
322.20883	0.7
339.21579	100.0
340.21854	0.7
465.24417	0.9
483.25476	4.4
501.26904	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	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
53.51765	0.3
55.01867	0.6
55.05507	2.6
57.03431	3.4
61.02917	6.6
66.88847	0.4
67.05488	4.9
69.03415	4.5
69.07056	0.8
70.98875	0.3
71.04974	1.6
73.02912	3.8
73.78577	0.3
79.05476	4.4
81.03391	7.0
81.07049	5.6
83.04976	1.7
83.08611	2.1
85.02887	9.2
91.03925	3.5
91.05458	5.0
92.09236	0.5
93.07035	3.1
95.04944	2.5
95.08598	1.5
97.02871	7.1
97.06553	0.6
99.04462	0.8
99.89454	0.4
101.02377	2.4
105.06989	4.1
107.04964	0.8
107.08576	1.7
109.02885	0.9
109.06494	0.5
111.08045	0.7
115.03898	0.4
117.07070	0.4
119.04910	0.5
119.08547	2.8
121.06497	0.5
121.10139	1.6
123.08054	0.4
127.03892	1.3
129.06996	1.5
131.08597	1.8
133.06441	0.4
133.10139	2.0
137.06004	2.5
142.07736	0.5
145.06731	0.4
147.04407	0.5
147.11713	2.1
149.09607	0.5
157.10147	1.8
165.12781	0.4
172.23280	0.4
175.11203	2.2
187.07588	0.5
193.12259	3.4
211.13268	0.8
243.08412	2.1
251.12526	2.9
255.78981	0.3
295.09427	0.4
307.15088	0.7
434.51248	0.4
469.20367	16.9
697.33936	100.0
698.34021	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	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82945	0.4
51.45154	0.5
51.90674	0.4
53.00297	1.0
53.03932	1.2
55.01863	0.7
55.05502	17.3
57.03425	7.0
57.07064	11.9
58.89827	0.4
61.02910	36.6
65.03909	1.0
66.49394	0.4
67.05486	78.7
69.03406	3.3
69.07050	26.4
71.01334	0.5
71.04964	2.3
71.08604	6.7
73.02895	12.2
75.04464	0.9
79.05467	24.8
79.50514	0.5
81.03405	1.2
81.07031	100.0
83.04958	1.2
83.08597	20.1
85.02882	36.6
85.06528	1.9
85.10152	3.1
87.04478	0.5
91.03927	27.2
91.05451	16.2
93.07017	28.2
95.04950	1.1
95.08578	88.1
97.02866	16.1
97.06491	6.5
97.10139	12.0
99.04426	2.8
99.08074	3.4
103.03889	0.6
105.06996	14.0
107.08568	20.8
109.02850	1.2
109.06477	0.8
109.10133	43.7
111.08057	3.2
111.11698	2.2
113.09632	2.9
115.03908	1.0
119.08552	14.3
121.10107	23.0
123.08052	1.1
123.11674	18.8
125.09609	2.1
127.03867	8.0
127.11149	0.8
131.08575	0.5
133.10106	17.3
135.11673	11.0
137.09628	1.1
137.13222	7.9
139.11174	0.7
141.12733	2.4
144.40067	0.5
145.04936	9.6
147.11652	13.3
149.13226	8.3
150.17509	0.5
151.11151	1.1
151.14804	6.5
153.12787	0.7
155.14294	2.4
161.13223	14.4
163.05968	12.8
163.14763	10.5
165.12645	0.7
165.16367	5.4
175.14775	8.3
177.16342	1.9
179.17870	5.0
181.15794	0.7
189.16324	4.6
191.17981	0.7
193.15817	1.0
203.17953	2.1
245.22574	44.7
246.23013	0.6
263.23621	80.8
265.25229	1.1
281.24734	2.9
286.63721	0.6
337.27267	37.4
355.28305	12.0
499.32617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.5
55.01869	2.6
55.05499	16.5
57.03427	15.9
57.07063	3.9
57.27642	2.0
58.74316	1.7
59.06108	5.7
60.05632	2.9
61.02915	2.8
62.69813	2.5
67.05497	41.0
68.85742	2.0
69.07040	10.9
69.20225	1.9
71.08624	2.6
79.05488	32.4
80.70528	2.2
81.03403	100.0
81.07040	35.0
83.04964	5.4
83.08578	3.6
85.02877	2.8
91.05460	26.7
92.09364	4.7
93.07034	36.9
95.04961	12.2
95.08590	23.5
97.06485	2.7
105.06998	12.8
107.08578	13.0
109.10155	16.5
117.06991	4.8
119.08550	28.7
121.06503	8.3
121.10126	8.4
123.08064	2.7
123.11707	3.4
133.10071	3.3
135.07990	3.9
135.11572	2.7
137.09583	14.0
143.07280	2.7
143.08508	2.5
145.10068	4.4
147.07988	5.2
147.11664	4.7
159.11635	5.3
163.14937	2.5
165.09102	14.0
184.07297	3.0
224.48817	2.4
227.12704	2.1
239.12727	33.1
261.22171	3.7
261.54620	2.2
271.18768	2.2
277.21533	3.2
293.21057	13.8
335.25757	28.1
385.96066	3.0
403.15375	2.3
499.34189	18.8
501.70557	2.6
517.34967	13.8
531.40210	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77546	0.4
53.03930	1.5
53.11120	0.5
53.31851	0.5
55.01862	0.8
55.05502	11.2
57.03417	1.3
59.04994	6.2
62.67337	0.5
64.46227	0.5
66.32384	0.6
67.01846	8.7
68.99770	2.6
69.03412	9.1
69.07038	1.5
71.04971	0.9
73.02904	1.3
79.05473	0.9
81.03393	12.3
81.07030	2.6
82.03715	0.7
83.01315	0.7
83.04969	5.9
85.02888	21.0
86.03204	0.9
87.11144	0.6
91.05450	3.1
93.07011	1.2
95.08575	1.3
97.02862	12.3
99.04428	11.2
100.04754	0.8
100.11239	2.4
101.05994	33.0
103.03909	5.0
103.05397	0.7
105.06999	3.7
107.04945	2.7
107.08575	1.2
109.02856	12.4
109.10144	0.9
111.00779	0.6
111.04436	1.0
119.04919	3.7
119.07057	0.9
119.08552	10.7
120.08913	1.2
121.02828	1.0
121.06483	4.1
121.10104	0.9
123.04396	1.2
123.08025	0.7
123.11690	0.6
125.02258	0.8
127.02972	0.8
127.03896	24.1
128.04225	2.8
129.01830	3.5
131.04897	1.1
133.10103	8.3
134.10446	1.5
137.05942	3.0
145.04938	6.2
147.04384	18.7
147.11661	1.2
151.03857	1.5
153.01805	100.0
165.01868	2.6
167.03363	0.7
171.02853	81.6
175.14789	14.7
176.15114	3.7
177.01825	2.9
177.05482	0.9
178.04958	7.4
179.03314	2.5
182.15399	1.0
183.02858	3.6
187.05952	0.8
188.06250	0.7
191.03360	4.0
191.14255	0.9
195.02859	15.8
195.04535	1.1
197.08174	0.7
210.14774	2.2
219.02876	5.2
237.04066	0.8
243.02769	0.8
259.14301	0.6
261.03873	4.7
271.08221	1.5
273.07516	92.9
274.08130	0.7
279.04660	0.7
285.07520	1.5
289.09213	1.0
297.07416	3.0
307.10165	1.0
309.07730	0.9
315.08493	4.4
339.08527	3.0
363.08755	0.7
381.09521	2.8
399.10889	2.4
409.19385	0.8
415.11774	1.0
416.12344	0.8
417.11603	2.2
433.12985	0.9
434.12717	0.7
697.26050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
55.01868	3.0
55.05507	13.7
57.03429	3.8
59.04977	2.9
61.02912	5.8
67.01827	2.3
67.05489	6.2
68.99781	1.5
69.03414	23.6
69.07054	15.6
70.06578	1.5
71.04974	12.7
73.02886	8.2
79.05484	2.5
81.03401	28.8
81.07040	8.8
83.04967	3.0
83.08590	2.5
83.59901	1.4
85.02894	49.7
87.04461	2.3
91.05469	10.8
93.07012	8.2
95.04914	2.6
95.07979	1.5
95.08569	9.5
97.02881	33.8
99.04432	47.4
99.05032	2.9
100.11238	5.2
101.06009	20.4
103.03930	31.2
103.05387	1.8
105.07010	13.5
107.04939	6.6
107.08581	10.2
109.02863	43.3
109.06484	1.7
109.10114	1.5
111.04525	1.9
115.05325	1.5
117.07015	1.6
119.04891	6.0
119.08557	45.0
121.02840	2.5
121.06476	7.2
121.10130	3.2
123.04396	2.6
125.02299	1.9
126.04108	1.5
127.03895	100.0
133.10112	44.9
135.11673	3.0
137.05974	13.1
138.33043	1.4
139.03931	1.8
145.04936	25.7
145.10080	3.7
147.04414	18.1
147.11702	10.9
148.12003	1.8
153.01805	70.3
163.05965	6.7
163.07462	2.2
171.02846	52.0
175.14790	74.7
178.04965	3.4
182.15340	2.9
187.05951	8.8
191.14261	11.7
192.14630	3.5
193.15912	3.2
195.02846	9.7
205.07028	2.6
209.16615	1.5
210.14859	7.5
219.02899	2.3
221.38568	1.6
254.16833	1.5
271.05630	2.4
271.08102	9.4
273.07559	46.0
282.65918	1.7
285.11652	1.6
289.09143	8.6
307.10233	6.0
408.18951	7.1
409.19354	6.6
415.12222	8.4
433.13348	7.6
451.14166	2.8
696.49146	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	696.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.6
53.03937	3.9
53.79280	0.4
53.81443	0.3
55.01863	0.7
55.05507	6.2
57.03414	2.1
57.07058	0.5
59.04985	0.5
61.02902	2.6
67.05486	2.2
67.39741	0.3
68.50650	0.3
68.98176	0.4
69.03416	11.1
69.06709	0.7
69.07055	11.5
71.04976	6.1
73.02898	3.7
79.05466	1.8
81.03403	13.1
81.07047	7.9
83.04967	1.9
83.08615	3.8
85.02892	49.7
85.46724	0.4
87.04459	0.6
89.13139	0.4
91.03958	0.5
91.05483	3.1
93.07029	6.1
95.04936	1.8
95.08585	9.2
97.02872	28.0
97.03495	0.9
97.06499	0.7
97.10127	0.4
99.04438	42.1
99.08067	0.7
100.11234	5.6
102.46857	0.4
103.03925	64.6
105.07011	14.2
107.08581	10.1
109.02864	17.0
109.06499	2.3
109.10163	3.7
111.04420	0.9
111.08063	0.6
115.03857	0.6
115.05437	0.4
117.07006	2.0
119.08562	56.4
121.10138	4.1
123.08041	0.6
123.11669	3.2
127.03896	69.1
128.07053	0.7
131.08545	2.1
133.10109	71.8
135.11674	11.5
137.05974	2.4
137.09602	2.2
145.04945	23.4
145.10071	3.5
147.04453	0.5
147.11691	6.7
149.13280	1.8
153.01706	0.5
158.10707	0.4
159.11559	0.5
160.12372	1.6
163.05994	19.3
169.04942	0.8
171.11784	0.5
173.13251	1.8
175.14792	100.0
176.15118	0.8
177.16289	0.8
182.15356	3.6
183.11649	0.5
187.06000	2.2
193.15855	28.9
198.14871	0.5
199.14755	0.5
205.06949	0.9
209.16479	1.6
210.14850	2.7
265.15576	0.5
271.08051	5.2
289.09106	3.3
301.17865	0.6
307.10187	6.3
315.13199	0.7
565.50482	0.5
636.84900	0.5
679.51147	5.2
695.50299	0.6
696.50580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03411	0.3
58.81520	0.3
65.03896	0.3
67.06390	0.2
69.03403	0.6
72.56989	0.3
79.05470	2.6
85.02882	1.1
87.86082	0.3
91.05460	5.8
93.07093	0.2
94.04138	0.3
95.04933	1.5
97.02898	0.5
103.05462	0.4
105.07039	1.1
107.04951	4.1
109.02870	0.3
111.04366	0.3
111.25168	0.3
111.81236	0.3
118.04157	0.3
119.04919	7.1
121.06483	4.2
122.03602	3.0
123.04422	0.6
124.05197	0.4
125.05952	0.4
131.04893	1.6
133.02803	1.3
133.06436	0.3
134.03621	1.3
135.04390	2.6
137.05949	51.4
138.06334	0.4
141.06976	2.6
145.06482	0.5
147.04378	4.0
149.05966	5.1
150.06729	1.1
151.03883	0.3
151.07526	0.6
152.06119	0.6
153.05649	0.4
153.06964	7.6
154.07771	0.6
155.08508	6.2
161.06047	2.1
162.06610	0.3
163.07507	0.7
165.06963	21.9
167.07008	1.9
167.08437	0.9
168.05663	1.7
169.06409	1.2
170.07161	0.5
175.07593	0.4
177.05484	0.4
177.06958	0.5
179.06985	1.0
179.08492	0.5
181.06432	5.8
182.07260	2.6
183.08020	18.8
185.05946	0.6
193.06337	6.1
194.07220	1.6
195.08000	1.5
196.05159	2.6
197.05925	1.2
197.09564	0.5
198.06851	0.9
199.07565	0.5
200.08336	1.4
205.06400	0.4
207.04396	2.3
209.06003	0.9
210.06789	2.2
211.07498	20.2
212.08270	2.3
213.05615	0.3
213.09077	1.5
216.57196	0.3
221.05937	8.5
222.06619	0.5
223.07503	1.4
224.08266	0.5
225.09047	3.0
228.05687	0.3
228.07745	2.3
234.06715	0.4
237.09064	1.9
239.07033	4.0
240.07744	0.4
241.08559	1.8
242.09351	2.7
243.10121	2.6
249.09146	0.4
253.08522	1.5
254.09329	0.5
257.08148	0.3
259.09619	0.3
265.08566	2.3
267.09979	0.3
271.09583	100.0
272.09949	1.3
273.11136	1.4
277.08487	0.4
282.08633	0.5
283.09552	4.7
285.11084	3.1
297.11166	3.8
309.10980	1.2
315.12222	1.3
327.12238	1.0
365.36288	0.3
401.13757	0.5
421.16183	0.4
433.16296	0.6
444.14380	0.3
451.17303	1.9
626.55499	0.3
703.94519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18492	0.1
51.02125	0.1
53.00303	0.1
53.03938	0.2
53.73258	0.1
55.05498	3.0
57.03440	0.2
57.07068	1.2
58.49179	0.1
61.02917	0.2
65.39536	0.1
67.05494	2.2
69.03412	1.4
69.07056	9.5
70.06586	0.1
70.39789	0.1
71.04969	0.3
73.02898	0.2
75.38573	0.1
79.05464	1.2
81.03412	0.7
81.07037	3.6
83.04963	0.2
83.08603	2.1
85.02894	3.3
85.06541	0.6
87.04465	0.3
90.94596	0.1
91.05457	2.9
93.07034	2.6
95.04957	0.3
95.08582	7.7
97.02876	1.2
99.04449	0.8
103.03951	0.8
103.05450	0.2
105.07015	9.0
107.08574	4.0
109.02867	0.9
109.06521	0.2
109.10143	8.1
111.04414	0.2
114.43053	0.2
117.07017	1.1
119.08562	45.5
121.06477	0.1
121.10127	2.8
123.08043	0.7
123.11671	0.2
127.03889	1.6
129.05455	0.2
129.06859	0.1
131.08534	1.3
132.09315	0.2
133.10107	41.5
134.10858	0.6
135.04337	0.2
135.11650	3.4
137.05962	1.2
137.09605	2.9
145.04947	0.6
145.10124	2.2
146.10886	0.2
147.11659	7.5
149.13263	0.9
151.14810	0.9
158.10956	0.2
160.12453	2.1
163.06017	0.3
173.13223	1.4
175.14790	100.0
176.15182	0.5
177.16389	0.6
187.14857	0.2
193.15855	11.5
307.10052	0.3
678.24365	0.2
696.49384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.27389	0.5
55.01857	2.2
55.05494	0.5
57.03425	2.3
61.02922	4.1
67.05495	3.4
69.03418	6.1
72.08157	0.6
73.02899	2.3
79.05470	5.5
81.03394	16.4
81.07016	2.0
82.69173	0.5
83.01299	0.6
83.04961	2.9
84.14761	0.5
85.02889	13.2
91.05468	3.0
94.04157	1.1
95.01320	2.5
95.04946	5.9
95.08574	1.3
97.02870	7.4
97.06487	1.0
99.04443	2.4
100.73479	0.6
103.03983	0.7
105.07001	5.0
107.04916	6.5
107.08562	0.6
109.02862	14.4
109.06491	1.3
110.07192	0.6
111.04436	1.4
112.65141	0.7
115.05437	1.4
116.06251	1.0
116.47473	0.6
117.07038	0.7
119.04957	0.9
119.08572	2.7
121.02856	0.7
121.06503	0.8
122.03633	6.1
123.04404	13.2
125.02318	2.5
125.05960	0.6
127.03883	12.2
128.06203	0.8
129.06985	3.5
131.04887	1.5
131.08469	0.7
133.06497	5.4
133.10109	1.1
135.04414	3.3
137.05952	100.0
138.06296	1.0
139.03893	2.6
141.05458	0.8
141.07018	0.7
143.04945	0.6
144.05688	1.4
145.06502	1.2
147.04367	1.3
147.08069	0.9
149.05995	3.7
151.03874	5.7
151.07542	1.2
153.05453	22.1
155.03513	0.6
155.04959	2.4
157.06487	0.7
159.08029	3.6
159.22150	0.6
160.05209	1.3
161.05949	16.6
161.09557	0.8
163.03859	0.8
163.07524	0.9
169.04932	30.0
169.06381	1.2
171.06505	0.9
172.05194	2.3
175.07498	12.6
175.14801	1.2
177.09030	0.8
181.06418	1.0
187.05995	1.6
187.07501	17.7
189.09129	2.0
190.07787	1.4
191.07007	0.9
191.08540	10.7
197.04404	3.1
197.06039	0.6
199.07474	3.9
203.08560	0.9
207.10123	3.0
213.05490	2.2
215.05458	26.4
218.07237	3.3
219.08034	17.1
219.10059	1.2
220.08641	1.2
225.09137	0.8
227.07091	1.0
231.08104	2.7
233.06073	0.8
233.09532	1.2
236.08322	3.0
239.06941	0.8
246.97234	0.8
247.07521	8.2
248.08159	1.1
251.10608	32.5
253.08551	1.1
255.06540	2.2
259.07373	0.9
263.10797	0.7
264.07782	2.9
265.08536	1.4
273.11203	2.5
276.07642	0.7
279.10080	16.6
280.10928	1.1
285.11032	2.4
291.10114	3.8
296.10446	2.5
297.11292	1.0
311.12711	20.1
323.12646	2.6
351.10684	1.0
363.10620	4.5
391.11630	1.0
469.14648	1.0
487.15921	68.0
488.16025	1.2
499.15811	9.9
517.17072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08095	2.0
53.03935	2.5
55.01854	9.0
55.05508	28.8
56.10169	2.0
57.03427	9.1
57.07056	3.2
58.04229	2.1
67.05499	56.2
69.07050	31.6
69.88641	2.0
71.04980	2.9
74.34882	2.3
79.05472	52.9
81.03396	3.8
81.07042	100.0
82.50150	2.3
83.04959	9.4
83.08611	11.3
85.06521	3.3
91.05449	37.6
93.07032	44.8
95.01630	5.7
95.04990	17.3
95.08585	28.0
97.06505	11.3
97.10159	2.8
101.10995	2.3
105.07008	36.6
107.04941	12.0
107.08591	26.7
109.06500	15.1
109.10131	10.5
116.88731	2.1
117.06992	10.7
119.08548	27.8
121.06490	5.4
121.10112	18.5
123.08049	3.8
123.11673	4.8
129.07014	4.3
131.08546	19.2
133.10098	18.6
135.08002	3.4
135.11630	10.0
137.09554	2.4
145.10136	11.7
147.11676	16.8
149.09598	10.7
159.11679	8.9
161.13266	4.0
163.11143	2.9
173.13243	3.7
233.20329	2.2
239.09570	2.4
245.21472	2.5
257.18918	3.1
269.17410	9.4
275.20059	32.2
293.21082	11.3
349.23624	26.8
367.24716	11.8
424.12872	2.3
473.32449	2.7
514.35162	2.8
529.34796	3.4
543.36938	21.8
543.79608	2.5
561.37683	20.2
621.43854	2.8
641.43945	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	695.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
53.73162	0.6
55.01857	1.0
55.05508	4.9
57.03421	5.3
61.02917	5.3
62.66165	0.6
67.05498	6.2
69.03419	2.9
69.07066	1.0
70.74931	0.6
71.04972	1.3
73.02909	4.1
79.05479	6.3
81.03404	9.6
81.07037	7.1
82.03769	0.7
83.04979	2.8
83.08626	1.5
83.30477	0.7
85.02897	9.3
91.03946	3.1
91.05450	6.9
93.07011	6.0
95.04970	4.0
95.08604	2.6
96.77908	0.6
97.02872	6.5
97.06538	0.7
99.04463	0.7
101.02370	1.0
103.03925	0.6
105.07037	5.1
107.04969	1.5
107.08616	4.0
109.02869	0.7
109.06600	1.0
109.10188	0.7
111.08095	0.8
119.08596	3.6
120.47654	0.8
121.10133	3.7
123.87816	0.7
127.03915	1.5
129.07013	0.8
129.87671	0.7
131.08582	2.8
133.10144	4.4
135.11723	1.2
137.06006	1.1
145.10129	0.8
147.11688	1.7
149.09566	0.9
149.13223	1.2
157.10196	1.0
163.11162	2.4
193.12297	4.2
195.02188	0.7
199.53781	0.7
211.13376	1.4
243.08539	1.6
251.12654	0.8
267.15985	4.0
269.17523	1.5
461.29147	3.7
462.29333	3.0
467.18668	6.6
469.20392	8.6
479.29547	0.9
695.32379	100.0
696.31714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
53.26288	0.3
55.01859	1.4
55.05508	4.6
57.03445	1.8
57.07065	0.4
65.03934	0.4
66.13049	0.3
67.01852	10.0
67.05491	10.0
68.99763	2.8
69.03417	3.8
69.07053	3.3
71.04971	0.9
79.05482	9.0
81.03391	7.3
81.07041	10.2
81.07481	0.7
83.01321	0.4
83.04963	1.6
83.08617	2.0
85.02891	2.6
91.05471	7.5
93.07027	10.3
95.04951	4.2
95.08582	5.6
97.02878	2.8
97.06524	1.0
97.10136	0.6
102.94145	0.5
103.05517	0.4
105.07018	6.1
107.04971	2.3
107.08587	4.8
108.08950	0.5
109.06527	0.7
109.10146	2.6
111.00816	0.6
111.04461	0.6
111.08075	0.5
117.07024	1.7
119.04924	4.8
119.08543	3.7
121.06490	3.6
121.10136	3.3
123.04434	0.9
123.08105	0.6
125.02354	1.0
127.03912	1.5
129.01823	3.0
129.06973	0.6
130.07738	0.6
131.08549	3.2
133.10101	2.3
135.11667	2.1
143.08528	0.9
145.10115	2.4
147.04391	20.3
147.11702	0.6
149.09615	0.6
149.13231	0.7
153.01808	100.0
157.10127	0.8
159.11649	2.0
160.12039	0.4
161.13232	0.4
163.11172	0.9
165.01859	0.8
167.03389	0.6
169.10229	0.5
171.02853	80.3
171.11644	0.6
173.13301	0.7
176.52652	0.4
177.01790	0.5
179.03352	0.9
183.02859	0.8
191.03395	0.5
195.02855	5.1
219.02843	0.7
223.13287	0.6
231.06296	0.9
236.41040	0.4
261.03870	0.9
261.22177	1.0
273.07526	65.1
274.07944	0.5
275.19965	0.8
297.07275	0.5
315.08444	1.9
369.23877	0.7
370.67474	0.5
381.09601	0.9
387.25082	0.4
695.40167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06711	1.8
53.03932	2.5
55.01861	16.2
55.02084	2.3
55.05505	49.6
57.03417	13.1
63.06539	2.1
66.85698	2.2
67.05493	63.3
69.03403	2.4
69.07055	38.2
71.04974	5.9
79.05473	62.7
81.03403	12.7
81.07037	100.0
83.04955	16.7
83.08606	41.4
85.02877	5.7
85.06538	4.1
91.05463	52.1
93.07019	56.4
95.04946	56.1
95.08593	41.4
97.06491	12.4
97.10157	5.8
104.92450	2.6
105.07006	52.3
107.04947	23.3
107.08574	40.7
109.06510	21.6
109.10137	16.5
111.04429	11.8
111.08055	10.4
117.06984	19.0
119.08536	41.0
121.06492	10.9
121.10134	25.5
123.08065	5.4
123.11711	5.8
125.09621	6.3
127.23161	3.2
129.06940	5.7
131.08522	25.0
133.10127	28.2
135.08081	4.6
135.11673	14.0
137.09573	3.0
143.08574	3.4
145.10115	22.4
147.08092	4.2
147.11650	21.8
149.09589	24.8
149.13245	3.3
151.11113	4.3
157.10045	3.6
159.11694	5.6
163.11128	26.2
167.39449	2.5
171.11717	4.2
173.13225	4.6
177.12711	2.8
189.11121	3.3
191.14384	2.9
223.13271	19.2
227.12534	2.9
257.18930	5.4
275.19986	56.8
293.21033	18.6
321.98453	3.3
326.68320	2.7
349.23608	37.1
367.24722	59.8
529.38416	4.0
552.71674	3.2
623.42615	15.8
641.43951	27.6
659.45245	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	694.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.3
55.01875	7.2
55.05508	21.9
56.05307	0.9
57.03430	7.8
57.37218	0.9
67.05151	1.7
67.05491	36.7
69.03418	1.3
69.07059	22.7
71.04971	1.4
79.05479	30.3
79.29608	1.1
81.03377	5.0
81.07039	100.0
83.04951	6.6
83.08607	12.2
85.06521	2.3
91.05456	32.7
92.05746	1.1
93.07022	29.1
93.07578	1.9
95.04453	1.0
95.04968	12.5
95.08585	28.2
97.06522	7.6
97.10144	1.2
99.08093	1.3
105.06361	1.8
105.07014	32.3
107.04942	11.2
107.08576	19.5
109.06515	22.2
109.10161	9.3
111.08086	4.0
117.06966	9.2
119.08555	24.8
121.06471	5.5
121.10144	12.1
123.04424	1.7
123.08038	5.5
123.11697	5.7
129.06949	1.6
131.08559	11.2
133.06462	1.5
133.10130	13.3
135.07996	2.4
135.11674	6.7
137.09596	1.7
145.06441	1.5
145.10123	8.8
147.08064	2.2
147.11670	16.1
149.09581	7.6
149.13206	4.8
151.11176	1.1
157.10095	4.5
159.08011	1.1
159.11673	7.6
161.09497	1.1
161.13301	1.8
163.11157	6.4
163.14838	1.3
165.12711	2.4
173.13222	4.3
175.11067	1.6
177.12680	2.0
179.14366	1.1
187.14909	1.3
191.08000	1.2
197.77809	1.1
201.12590	1.2
247.20583	1.8
257.18967	4.2
267.15799	1.2
275.20023	33.3
293.20966	7.0
322.00742	1.1
332.83716	1.2
349.23666	28.9
367.24747	47.3
492.21701	1.1
514.35632	2.1
623.42932	13.2
641.43915	15.1
642.45111	1.2
659.45111	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	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47116	0.3
53.00291	0.7
53.03932	1.8
55.01866	1.6
55.05504	16.5
57.03425	10.1
57.07067	4.3
59.05001	0.3
61.02913	37.9
65.03927	2.1
67.05490	96.4
69.03417	6.1
69.07053	17.6
71.01348	0.3
71.04966	2.9
71.08611	1.4
73.02899	13.2
73.03286	0.6
75.04459	1.7
77.03909	0.5
79.05472	55.1
81.03402	2.7
81.07036	100.0
83.04965	2.3
83.08605	8.8
85.02888	39.8
85.06522	2.8
87.04455	0.4
90.50162	0.4
91.03934	28.7
91.05457	30.2
92.09322	0.6
93.07021	71.9
95.04942	4.3
95.08583	80.6
96.08927	0.3
97.02868	16.3
97.06492	4.6
97.10156	4.1
99.04425	2.3
99.08056	2.4
103.03960	0.4
105.04492	0.8
105.07007	22.1
107.08573	47.4
109.02858	1.4
109.06526	2.5
109.10139	40.3
111.08074	2.1
111.11703	0.6
113.09628	0.6
115.03913	1.6
117.06995	10.6
119.07711	0.7
119.08557	20.6
121.10120	43.6
122.10468	0.3
123.08031	1.8
123.11678	18.0
125.09615	1.6
127.03877	8.3
127.11193	0.4
129.06979	1.3
130.07735	0.4
131.08542	24.8
133.10100	18.0
135.08038	0.5
135.11664	32.6
136.12035	0.3
137.05904	0.4
137.09598	2.5
137.13219	5.9
139.11176	1.6
144.09308	0.4
145.04941	10.1
145.10100	18.4
145.11215	0.7
147.11662	12.4
149.09587	0.6
149.13235	23.8
151.11154	1.5
151.14822	2.1
153.12758	0.5
157.10094	0.4
159.10367	0.5
159.11658	15.0
161.13205	12.9
161.14507	0.4
163.05977	12.1
163.11134	0.8
163.14774	13.6
165.12712	1.8
167.14279	0.5
173.11795	0.5
173.13206	14.7
175.14777	4.6
177.12711	1.9
177.16331	3.7
179.14310	2.2
187.14775	8.9
189.16350	0.5
191.14238	0.8
199.14857	0.4
201.16280	2.4
203.18001	0.6
205.15833	2.4
215.17902	1.4
219.17439	1.3
223.16898	0.5
229.14301	0.4
233.22552	3.1
243.21021	26.3
261.22070	72.4
263.23660	0.7
277.29852	0.3
279.22992	3.4
283.18420	0.5
317.24933	0.4
335.25726	25.0
353.26804	51.3
354.27118	0.6
394.34232	0.3
416.64917	0.4
479.30225	0.5
497.30969	5.3
608.67596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20643	1.5
55.05509	2.8
57.03420	1.8
57.34460	1.5
61.02907	8.8
64.72581	1.8
67.05495	14.0
68.14000	1.8
69.03412	3.3
69.07043	3.2
73.02905	4.2
74.90494	1.6
79.05469	1.8
81.03451	2.0
81.07048	8.2
85.02889	7.2
91.03894	2.3
91.05472	2.3
92.03868	1.9
93.07027	2.7
95.08624	2.8
97.02863	7.6
105.06973	1.8
109.10155	3.8
116.70951	1.6
160.27287	1.7
237.95958	2.0
253.05215	1.8
405.25595	1.8
413.17682	7.6
521.30804	9.6
693.41614	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	694.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35760	0.3
51.96019	0.4
53.03930	1.8
53.53105	0.4
55.01864	1.1
55.05497	1.7
55.34773	0.4
63.70477	0.4
65.03904	0.5
67.05486	2.3
69.03415	6.2
70.06532	0.5
73.02874	0.5
79.05466	4.2
81.03404	7.2
81.07053	3.7
83.04969	0.5
83.08593	0.6
85.02872	2.7
91.05464	13.9
93.07014	2.6
95.04941	0.9
95.08588	1.0
96.40704	0.4
97.02872	4.9
99.04446	3.1
101.05960	0.5
103.05437	0.7
105.07008	9.9
107.04959	2.0
107.08572	3.0
109.02849	4.1
109.11755	0.5
111.04428	0.9
113.03394	0.5
117.06993	1.1
119.04917	25.4
119.08563	4.0
121.10097	0.8
123.04386	0.7
125.05996	0.7
127.03892	6.2
128.06123	0.6
131.08524	1.1
133.06448	0.6
133.10104	20.0
135.08043	1.0
137.05928	3.7
143.08504	3.7
145.10077	0.8
147.04391	100.0
148.04741	0.9
151.07608	0.5
151.11122	1.7
153.05367	0.5
159.08049	0.9
161.09569	11.3
163.07515	1.7
165.05467	1.8
165.09065	0.5
179.10645	7.6
189.09117	0.7
207.10185	3.1
213.58714	0.4
225.11119	1.6
273.11139	0.4
287.12418	0.5
309.09570	5.2
315.12183	1.0
333.13321	7.1
351.14328	9.1
453.72467	0.5
659.21936	0.7
716.16980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01867	6.9
55.05264	2.5
55.05510	43.1
57.03430	24.8
57.07075	1.6
59.04988	3.7
61.02919	13.1
65.03918	1.8
67.05141	3.3
67.05497	100.0
69.03404	2.9
69.07061	21.6
71.04971	3.6
73.02893	5.6
79.05477	47.9
79.89623	1.5
81.03402	15.6
81.07044	78.7
83.04958	9.2
83.08613	24.1
83.75892	1.4
83.76593	1.7
85.02905	24.7
85.03381	2.3
85.06532	6.5
86.09715	1.6
87.04442	3.8
88.61118	1.4
91.03967	1.6
91.05467	27.9
93.06483	2.8
93.07027	44.2
95.04948	11.1
95.08581	21.7
97.02891	6.3
97.06519	8.1
97.10167	13.0
100.52462	1.6
104.10764	1.7
105.07004	14.1
107.04940	3.4
107.08583	30.7
109.10152	46.0
111.08061	6.9
117.06995	10.1
119.08549	12.5
121.10110	11.8
123.07977	2.4
123.11694	2.1
125.09616	10.6
129.05536	3.2
131.08560	8.1
133.10072	12.3
135.11688	6.6
137.05922	3.1
137.09515	1.7
145.10074	6.6
147.11647	3.8
149.13251	9.9
152.55194	1.9
159.11681	3.1
163.11177	6.9
173.11751	13.0
191.10800	2.3
195.13785	7.4
199.13281	3.1
203.10696	2.0
209.11665	3.5
221.80125	1.4
227.12756	3.7
229.14360	27.5
233.80873	1.7
239.16177	1.8
266.52191	1.6
267.16162	5.3
269.17435	31.9
283.15314	2.4
301.16577	12.6
411.27359	2.4
423.27298	24.8
470.46906	1.6
477.28189	3.4
495.29446	45.3
513.30475	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	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
54.71342	3.2
55.01864	7.4
55.05505	43.2
57.03421	18.6
60.07150	2.6
61.02916	5.6
65.59679	3.3
67.05150	4.6
67.05490	100.0
69.03388	4.3
69.07056	24.3
71.04986	3.2
79.05471	39.7
81.03397	23.6
81.07040	82.8
83.04963	12.4
83.08585	17.6
85.02881	14.2
85.06517	3.9
91.05463	35.0
91.56657	2.8
93.07011	46.4
95.04944	6.2
95.08578	21.8
97.02865	7.0
97.06503	14.0
97.10150	12.8
97.29050	3.3
105.06996	14.6
107.04903	4.3
107.07969	3.2
107.08559	29.7
109.06475	4.4
109.10132	50.2
111.08076	3.2
117.06983	7.4
119.08555	11.7
121.10092	6.4
125.09605	16.8
129.05437	4.7
131.08510	7.9
131.30888	3.3
133.10107	16.1
135.11630	4.8
147.11674	5.1
149.09579	3.7
149.13297	3.7
159.11620	3.5
163.11093	4.1
173.11717	13.5
179.73225	3.4
195.13770	7.3
209.11729	3.0
229.14325	23.8
242.80869	3.3
267.15802	3.2
269.17313	44.7
301.16275	6.6
310.62509	3.5
382.86948	3.7
414.51321	4.2
423.27283	22.9
493.51505	3.7
495.29532	49.6
513.30334	19.3
655.92975	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	693.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21053	1.1
54.26776	1.2
57.03412	1.4
60.52674	1.5
61.02910	5.8
61.76347	1.3
67.05488	12.2
69.03421	2.7
69.07038	1.4
70.76689	1.3
73.02888	3.0
79.05460	2.6
80.36014	1.4
81.07046	3.2
85.02895	6.5
91.03922	2.7
91.05473	2.4
93.07031	2.1
95.08564	2.4
97.02852	2.4
105.07023	1.7
109.10129	8.1
116.77281	1.5
225.07874	1.5
413.17926	11.1
521.30719	5.5
693.41632	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	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55976	0.3
53.00297	0.4
53.03944	0.6
55.05498	1.4
57.03425	2.3
61.02919	6.1
67.05490	10.4
69.03410	3.4
69.07070	0.4
73.02905	5.6
76.91138	0.4
79.05487	2.1
81.03407	2.3
81.07032	4.9
83.08618	0.9
84.03132	0.3
85.02885	6.3
85.03293	0.4
87.04484	0.4
91.03949	4.3
91.05474	1.9
93.07016	2.7
95.08595	2.9
95.68140	0.4
97.02868	5.1
99.04462	0.7
100.21515	0.4
101.02383	2.2
102.82447	0.4
105.07030	0.6
107.08611	1.9
109.02863	0.4
109.10145	10.1
111.08087	0.4
119.08598	0.6
121.10168	1.5
127.03941	1.8
131.08669	0.5
137.09612	0.6
143.59637	0.4
173.11786	2.0
185.04164	0.5
193.59758	0.4
195.09947	0.9
203.05263	0.5
229.14320	1.4
243.08496	2.6
342.83704	0.4
363.94504	0.4
413.17728	10.4
430.00763	0.5
507.41330	0.4
519.29065	5.6
538.43579	0.4
691.40161	100.0
692.40662	4.2
712.49548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
54.47072	0.4
54.68039	0.5
55.05505	26.2
57.03428	22.7
57.07051	0.5
61.02921	5.7
65.03917	2.4
67.05142	1.2
67.05492	34.5
69.03421	7.7
69.07053	12.3
71.04974	7.2
73.02904	2.4
79.05004	0.7
79.05476	36.3
81.03400	100.0
81.07039	44.3
83.04464	0.6
83.04965	29.6
83.08605	33.3
85.02888	45.1
85.06526	2.8
91.03934	1.3
91.05462	48.7
93.07028	28.2
95.04949	38.4
95.08579	15.3
97.02876	8.8
97.06510	6.2
97.10143	7.0
99.04462	0.6
99.08064	1.1
103.03976	0.9
105.07010	35.3
107.04938	11.1
107.08569	12.1
109.06496	8.8
109.10153	4.5
110.89622	0.6
111.04428	3.1
111.08064	13.9
113.05965	4.1
115.05441	3.0
117.07022	3.3
119.04973	0.6
119.08560	33.7
121.06482	2.9
121.10125	12.9
123.08054	3.8
123.11687	2.4
125.05974	0.8
125.09583	2.5
129.06985	23.0
131.08539	17.0
133.06488	6.2
133.10109	16.5
137.05916	0.8
137.09579	3.4
142.07770	5.9
145.06444	0.8
145.10121	2.6
147.08058	5.0
147.11661	23.5
149.09596	10.4
151.11209	0.9
155.08527	0.6
157.10103	22.4
163.11165	0.7
165.12686	3.8
175.11145	21.9
182.15930	0.7
193.12215	57.6
211.13257	61.0
218.74879	0.6
267.15863	29.7
283.47839	0.6
285.16904	63.5
367.22546	1.3
385.23523	2.6
403.24347	0.7
441.26218	2.2
459.27380	20.5
477.28433	24.4
495.29431	62.5
496.29721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02614	4.1
52.05564	3.5
53.03929	4.9
53.34924	3.2
54.54565	3.4
55.01854	7.8
55.05500	29.5
56.19778	4.1
57.03424	22.2
61.02919	46.0
63.52531	4.6
64.33061	4.5
65.98728	3.5
67.05499	49.3
69.03422	32.3
69.07051	36.1
69.20267	3.9
71.04943	3.6
73.02896	18.5
77.14086	3.5
79.05473	48.1
81.03384	36.5
81.07040	100.0
83.04974	9.1
83.08601	10.3
85.02888	52.9
85.06503	4.5
91.03960	14.7
91.05449	34.3
93.07024	36.1
95.04935	20.8
95.08580	36.5
97.02879	51.7
97.06536	8.6
99.04420	5.5
99.08051	4.6
105.07027	38.5
107.04913	9.6
107.08569	39.9
109.02866	17.2
109.06485	33.5
109.10149	10.7
117.06965	18.8
119.08558	33.3
121.10114	17.3
123.08018	6.3
123.11667	3.9
127.03837	16.8
131.08534	27.1
133.10152	29.9
135.08081	6.8
135.11649	7.8
137.05898	10.3
143.39723	4.2
145.04935	4.8
145.10071	9.8
147.11681	28.3
149.09599	7.4
149.13255	7.9
157.10075	4.5
159.11668	9.7
163.11127	7.9
165.12709	4.3
177.12682	7.3
189.05421	5.6
257.18839	7.0
275.20041	66.9
283.15347	5.2
285.16995	5.5
293.21112	22.6
349.23804	40.6
355.74789	4.2
367.24808	43.7
391.24753	5.6
404.20065	4.5
475.26746	8.5
493.28006	9.5
511.29303	35.3
579.89691	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	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69150	0.3
53.03941	0.5
54.59907	0.3
55.01868	0.5
55.05502	1.7
57.03423	2.7
58.76293	0.3
59.38844	0.3
61.02918	6.9
65.03934	0.3
67.05499	9.1
69.03413	4.1
69.07063	1.5
71.01358	0.4
71.05016	0.5
73.02911	5.0
79.05472	2.9
81.03426	1.5
81.07034	4.8
81.07431	0.4
83.08601	0.7
85.02897	6.8
87.04470	0.4
91.03933	4.1
91.05476	0.9
93.07032	3.8
95.08588	4.5
97.02878	5.4
97.06528	0.5
99.04444	0.6
101.02368	1.7
103.03886	0.4
105.07015	0.7
107.08595	0.8
109.02898	1.4
109.10152	5.3
117.07082	0.4
119.08582	0.5
121.10146	1.7
127.03929	2.3
131.08548	0.7
135.11693	0.8
145.10146	0.7
173.11708	0.6
173.13304	0.4
185.04213	0.7
195.10013	0.9
219.59651	0.4
229.14221	0.5
243.08405	2.0
299.09106	0.4
335.26019	0.6
343.39423	0.4
413.17612	5.7
507.83505	0.5
519.29236	7.0
691.40186	100.0
692.40973	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01865	4.0
55.05500	21.4
57.03430	22.2
61.02911	3.0
65.03922	1.8
67.05495	35.1
69.03422	3.9
69.07060	14.5
71.04963	3.6
73.25030	1.6
79.05475	41.7
81.03396	58.2
81.07038	44.2
81.07479	2.6
83.04960	14.6
83.08596	31.2
85.02890	32.0
85.06512	1.4
91.05458	42.0
93.07028	56.3
95.04945	27.7
95.08581	49.1
97.02865	8.2
97.06514	7.7
97.10148	1.8
99.04442	2.1
105.07011	29.9
107.04929	15.9
107.08573	42.5
108.24048	1.6
109.06509	8.8
109.10151	3.5
111.04432	2.2
111.08070	13.1
117.07012	14.2
119.08549	28.2
120.09148	1.6
121.06499	10.5
121.10123	24.4
123.08032	2.8
125.05972	3.9
128.93507	1.5
129.06993	10.9
131.08519	9.2
133.10081	16.2
135.08067	2.8
135.11667	52.1
137.05943	6.8
145.10094	38.7
147.11646	9.3
149.09595	6.4
155.08527	1.8
157.10133	9.1
161.26770	1.8
163.11148	73.1
165.12723	2.5
175.11154	11.4
179.13768	1.8
181.12239	9.1
184.07375	1.6
193.12225	32.0
196.60999	1.5
211.13245	33.5
227.12756	60.4
267.15848	27.6
283.15356	45.0
285.16846	39.3
293.08926	1.8
367.07700	1.9
369.44482	1.8
475.26859	37.0
493.27911	100.0
522.16901	2.2
628.02966	2.2
641.39026	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88062	1.1
53.00312	1.5
55.05507	22.6
57.03427	18.2
57.07069	11.7
59.04990	5.9
61.02911	6.6
65.03905	1.6
67.05492	100.0
68.08099	1.2
69.07056	30.7
71.04986	2.5
71.08620	2.9
72.61990	1.2
79.05479	2.8
81.07040	25.2
83.08605	24.0
85.02895	3.1
85.06538	2.1
85.10175	2.6
91.03966	2.1
91.05454	7.2
92.08638	3.2
92.45631	1.3
93.07033	10.4
95.04974	1.6
95.08587	27.0
97.02892	2.6
97.06511	2.6
97.10152	11.6
107.08593	7.4
109.10146	87.0
111.08069	3.3
111.11713	1.4
119.08578	6.9
121.10121	9.5
123.11685	1.7
135.11617	2.7
136.07632	1.5
137.09639	1.8
149.13264	1.7
152.83742	1.6
155.10625	2.4
159.68155	1.4
173.11649	18.4
181.04889	1.4
229.14313	72.4
339.28897	56.2
364.81912	1.7
464.79410	1.6
493.31909	2.4
493.38806	57.4
575.50500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03409	0.5
65.03913	0.8
67.05482	2.4
75.43032	0.5
79.05475	4.5
81.07024	1.4
86.93745	0.6
91.05464	19.1
92.08659	1.3
93.07023	3.7
93.30109	0.5
93.60455	0.6
94.04163	1.1
95.04948	6.1
95.08595	1.1
103.05432	3.9
105.06990	4.3
107.04958	6.5
107.08575	2.8
108.05715	2.6
109.06487	4.6
114.14132	0.5
115.05447	3.4
117.07030	5.9
119.04920	13.6
119.08568	2.6
121.06445	7.1
122.03620	5.4
123.08054	11.7
128.06157	1.5
129.06973	11.0
131.04906	7.6
131.08504	1.1
133.06459	3.1
135.08026	6.4
136.05151	3.2
137.05954	75.1
141.06892	0.7
143.04884	1.0
145.06445	3.4
146.03621	1.3
147.08017	8.9
148.05170	0.7
149.05943	8.1
149.09613	2.9
151.03960	2.4
151.07521	100.0
152.06184	0.6
152.07848	0.9
157.06482	9.7
158.07242	1.2
159.08049	1.0
161.05968	14.6
161.09605	4.2
162.06728	0.8
163.07510	21.2
164.08026	0.8
165.06963	3.4
165.09067	5.4
167.08528	8.8
169.06445	1.0
174.06712	3.2
175.07536	8.1
177.07410	0.9
177.09019	9.0
178.07681	1.4
179.07004	4.5
179.08447	1.3
181.06435	2.9
182.07169	0.8
187.07477	1.4
189.09087	18.2
193.06496	3.8
193.10097	3.5
194.07115	0.9
195.08046	11.4
195.10143	26.7
197.05949	1.5
203.08531	1.3
205.06514	1.1
207.08005	2.4
207.10135	9.6
209.05933	2.6
209.09657	1.3
209.11668	2.2
210.06746	2.5
211.07487	1.2
212.08224	2.2
218.07162	0.8
219.08072	1.1
220.08745	1.3
221.05954	5.3
221.09612	6.9
222.06668	1.1
223.07458	6.3
224.08234	2.7
225.05440	1.2
225.09074	5.4
227.07013	1.3
227.10623	16.3
231.08008	1.0
234.06732	1.3
235.07494	2.2
235.10971	0.7
237.05536	0.8
237.09099	2.6
238.06175	1.4
238.09782	1.1
239.07013	0.9
240.07739	1.4
241.08540	2.6
243.06407	2.3
248.08342	2.5
249.09010	5.0
250.06052	0.7
251.10709	1.0
252.07852	2.4
253.08530	11.3
253.12257	7.8
255.06282	1.0
255.07143	0.8
255.10091	15.4
257.09488	1.4
259.07159	0.7
259.09634	4.1
260.07913	0.7
261.09018	1.5
263.10718	1.4
264.07782	1.0
265.08682	4.9
266.09302	1.1
267.10019	4.7
268.07336	1.5
269.08020	3.6
269.11636	0.6
270.08676	0.9
271.09683	1.3
272.10413	2.8
273.09003	0.8
275.10519	0.8
276.07712	0.8
277.08524	3.6
278.05444	0.7
278.09311	1.5
279.10193	0.8
281.07993	1.3
281.11621	3.0
283.09525	4.3
284.10431	1.1
285.08517	0.6
285.11224	10.5
287.12735	18.1
289.08826	0.8
289.12259	1.5
291.10159	4.6
293.08014	1.4
293.11588	2.7
295.09564	1.2
297.10974	4.4
298.11707	0.7
299.12811	1.3
302.09293	1.4
303.10016	3.1
307.09628	1.1
308.10358	1.2
309.11169	3.5
310.11542	0.9
311.12704	4.6
313.14288	13.6
317.14035	22.4
321.11145	4.0
323.12750	1.2
325.14224	2.0
329.13834	0.9
331.15353	43.3
334.11914	0.9
335.12659	9.3
337.14471	0.8
341.13681	1.2
343.15280	7.0
349.14151	4.0
353.13916	2.4
355.15125	1.4
367.15405	11.8
375.15613	0.9
387.11276	0.7
393.17282	0.8
425.12259	1.1
465.18872	4.4
491.20352	1.5
531.23212	0.7
549.24597	8.0
673.29675	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	688.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.1
55.05502	20.4
57.03428	14.2
59.04993	3.3
61.02902	2.6
64.70684	1.4
67.05493	16.0
68.80285	1.5
69.03405	2.9
69.07049	3.1
71.04973	1.9
73.02942	1.6
73.88524	1.5
79.05472	24.5
81.03384	13.4
81.06664	1.5
81.07043	24.0
83.01324	16.3
83.04948	12.9
83.08590	14.5
85.02887	9.7
91.05459	16.0
93.07015	33.6
95.04934	7.2
95.08572	8.0
97.02858	3.6
97.06498	3.1
99.04421	2.4
105.07005	12.1
107.04923	8.2
107.08566	15.3
109.06494	7.6
111.04416	2.6
117.06988	8.9
119.08570	11.2
121.06455	6.3
121.10086	9.3
123.08033	8.9
131.08546	3.2
135.11667	16.4
137.05922	1.7
145.10097	18.8
163.11157	28.3
173.09537	2.2
181.12227	1.8
209.11766	8.7
227.12808	3.4
244.00066	1.8
283.15347	100.0
351.74866	1.8
457.31805	1.8
491.19553	2.5
491.26257	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	688.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29760	0.7
55.01862	1.3
55.05504	17.9
57.03428	15.6
57.07068	3.7
57.43994	0.6
59.04983	4.2
61.02912	6.2
65.03923	1.6
67.05491	100.0
69.03412	1.2
69.07051	14.0
71.04965	3.9
71.08597	1.2
73.02908	1.1
79.05473	10.8
81.07036	37.7
83.04956	1.1
83.08614	12.4
85.02885	5.4
85.06519	3.4
91.03909	1.7
91.05457	9.5
93.07024	13.3
95.08582	29.7
95.09200	1.0
97.02879	3.5
97.06483	1.1
97.10136	4.7
101.18579	0.7
105.07035	5.3
107.08597	7.4
107.09264	1.1
109.10140	79.0
111.08071	3.2
113.17392	0.7
119.08548	7.2
121.10119	4.9
123.11700	3.2
133.10165	2.6
133.18811	0.7
134.91756	0.7
135.11684	1.1
137.09587	3.7
147.11649	1.3
149.13245	0.9
154.68600	0.7
155.10641	4.2
161.13223	1.1
173.11694	18.8
175.14763	1.1
185.43040	0.8
189.04424	0.9
227.12952	0.8
229.14314	65.8
245.22665	1.5
263.23679	3.4
337.27292	45.5
491.37213	37.5
504.14188	0.9
572.46649	0.9
573.48932	1.4
578.08655	0.9
703.88550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.1
57.03430	12.0
57.07051	6.2
59.04984	2.1
61.02906	5.7
65.03926	1.4
67.05491	100.0
69.07063	17.2
71.04975	3.1
71.33035	1.1
79.05469	9.9
81.07038	43.1
81.10275	1.2
83.04965	1.8
83.08614	12.2
85.02888	2.9
85.06501	1.7
85.66643	1.1
89.05988	1.6
91.05449	12.8
93.07013	11.6
95.08587	31.3
97.02874	1.9
97.10158	3.1
97.71587	1.2
105.07010	3.2
107.08594	9.7
109.10139	69.2
111.08022	2.1
119.08575	9.6
120.23283	1.3
121.10117	2.9
123.11650	2.0
133.10103	2.6
135.11670	2.9
137.09584	2.3
142.14227	1.2
147.11615	1.8
155.10698	1.5
161.13231	1.3
173.11700	17.3
175.14726	1.3
227.12769	1.8
229.14320	53.5
245.22456	1.5
263.23764	2.0
332.89539	1.3
337.27277	44.9
491.37241	52.0
573.48254	2.3
694.16235	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01863	0.9
57.03423	0.9
57.68954	0.3
59.27230	0.3
61.02898	1.4
62.13331	0.3
63.06760	0.3
66.39380	0.3
66.49457	0.3
69.03416	3.6
73.02883	0.6
76.12107	0.3
79.05466	0.4
81.03408	0.8
81.07022	0.5
84.08168	0.4
85.02892	11.2
87.26572	0.4
91.05460	7.8
93.07040	0.5
94.04148	0.5
95.04933	2.3
97.02866	4.1
99.04440	0.4
103.05449	2.1
105.06996	1.6
107.04936	1.6
109.02849	1.4
109.06483	2.1
111.04403	0.7
117.06981	0.6
119.04922	7.6
119.08545	0.5
121.06473	7.6
122.03606	3.0
123.04412	6.0
123.08080	0.4
125.05940	0.5
127.03881	2.0
128.06157	0.8
129.06973	9.1
129.10178	0.5
131.04910	4.8
133.06458	2.2
135.04388	2.3
135.08041	0.6
135.39893	0.4
136.05168	0.9
137.05954	83.6
137.61243	0.4
138.06331	1.7
143.04929	0.4
145.04950	0.7
145.06433	1.4
147.04391	8.1
147.08035	3.6
148.05135	0.7
149.05956	18.4
150.06755	2.6
151.03914	0.9
151.07524	44.8
153.05478	0.5
155.08481	0.6
157.06464	8.0
160.05168	0.8
161.05954	5.4
161.09561	0.7
163.07507	13.6
164.08223	0.4
165.06934	2.6
167.08505	2.2
169.06461	0.5
174.06731	0.6
175.07507	28.2
177.09074	0.6
178.07645	0.6
179.08568	0.4
181.06450	0.7
183.08015	1.9
185.05911	0.6
187.07460	0.8
189.05457	0.5
189.09094	2.6
193.06479	4.1
193.08501	1.8
193.10034	2.8
195.08017	6.4
197.05948	0.8
203.08508	1.5
205.06575	0.5
206.07144	0.5
207.08023	0.5
207.10085	0.7
209.09506	0.5
210.06721	2.4
211.07445	5.2
213.09061	5.6
220.08824	0.4
221.06003	6.4
221.09511	4.6
223.07504	2.3
225.05536	0.7
225.09062	6.0
227.06862	0.5
227.10614	2.1
231.07947	0.7
235.07381	0.8
237.09134	0.5
238.06255	2.6
238.09822	0.5
239.06972	5.6
239.10609	0.8
240.07602	0.4
241.08548	6.2
243.10219	0.5
249.09088	2.3
251.07019	0.8
253.08534	10.7
253.12115	6.0
255.06477	1.7
255.10078	1.5
256.07202	0.8
258.08832	3.4
263.10486	0.6
267.10101	0.9
270.08813	2.1
271.09595	22.5
273.11136	12.2
281.11664	2.6
283.09720	0.6
285.11194	0.6
287.12930	0.5
299.12726	19.1
311.12592	0.9
317.13779	100.0
318.14124	0.9
329.13873	2.7
383.14578	0.6
430.16562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15424	0.1
53.03939	0.2
53.32807	0.1
55.01859	0.7
57.03425	0.2
61.02906	0.8
63.02397	0.1
64.24815	0.1
65.03911	0.2
67.05496	0.1
69.03416	1.4
71.04978	0.2
73.02892	0.1
74.30539	0.1
79.05470	1.1
80.63628	0.1
81.03401	0.7
81.07035	0.5
84.22324	0.1
85.02888	6.5
91.03938	0.3
91.05455	1.9
93.06966	0.2
94.04161	1.6
95.04944	0.5
97.02853	1.7
99.04411	0.2
101.23066	0.1
103.05445	6.2
105.07011	3.4
107.04938	1.3
109.02852	0.8
109.06494	1.4
111.04437	0.1
115.05451	0.8
117.06970	1.1
119.04864	0.5
121.06474	2.5
122.03619	6.0
123.08071	0.3
127.03907	1.1
128.06184	0.9
129.06982	1.0
130.74243	0.1
131.04904	10.0
131.08569	0.2
133.06464	14.2
135.08026	6.0
136.05162	0.2
137.05951	100.0
138.06310	0.6
138.36311	0.1
143.04904	0.5
143.08542	1.4
144.05614	0.2
145.05008	1.1
145.06456	4.2
147.07985	1.1
148.05116	0.2
149.05956	0.7
151.07524	5.2
155.06010	0.2
157.06467	1.6
158.07224	0.2
159.08000	0.2
160.05110	0.1
161.05940	0.2
162.06683	0.2
163.07503	22.5
165.09029	0.2
169.06500	0.2
171.08002	1.7
172.05070	0.2
173.06020	0.3
174.06714	0.9
175.07503	2.5
177.09096	1.0
187.07556	0.8
188.08328	1.0
189.09071	2.5
190.22304	0.1
201.09009	0.2
203.10634	3.3
207.08279	0.2
220.08844	0.3
221.11720	0.2
235.11113	0.9
245.09535	0.5
248.08311	0.2
263.10580	1.5
295.13211	7.7
312.13416	0.2
327.15829	17.8
328.16000	0.2
345.16818	2.2
560.07617	0.1
609.64587	0.2
687.29504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03487	0.9
54.80351	0.9
55.01868	1.1
55.05502	5.0
56.05031	7.3
57.03418	1.2
60.12992	0.9
65.98473	0.9
69.03417	1.6
69.07060	7.3
72.08139	54.2
72.11589	1.0
74.06062	27.7
75.05576	8.2
79.05463	1.1
81.03408	1.9
82.06587	1.5
84.04495	4.6
84.08121	5.0
85.02872	2.4
86.09691	100.0
91.05469	2.0
93.07058	1.2
98.09689	5.9
100.07610	5.2
100.80777	1.1
101.07116	19.1
103.05431	1.6
105.07036	2.3
107.04953	1.2
109.02843	1.3
113.07096	1.1
119.04914	1.5
122.06759	1.0
124.07579	1.0
125.12682	1.0
127.03927	1.2
127.08669	4.1
128.10739	1.1
129.06599	4.6
129.10208	36.1
129.11142	1.8
130.05072	1.1
131.04938	2.3
132.10207	10.1
135.04395	1.7
137.05960	29.4
138.06343	1.6
141.06599	5.7
143.11781	57.2
145.09694	67.4
147.04433	2.0
151.03964	1.1
155.08110	1.9
155.11794	5.4
157.09692	11.2
159.07628	2.1
161.05972	6.6
163.07516	13.9
167.08185	1.4
168.07724	1.9
169.13318	5.5
171.11247	18.6
173.09181	52.5
177.08981	1.2
181.08551	2.0
183.11285	6.2
184.10771	1.6
185.09206	5.6
189.09015	2.5
189.12335	11.7
195.07695	1.2
197.16470	6.5
199.14378	5.8
201.12581	1.0
207.10170	1.5
212.10291	9.9
214.11909	2.0
225.15939	4.3
227.13889	4.3
228.13432	6.4
230.11298	28.3
240.13449	5.1
252.13461	1.1
254.14948	1.9
258.14462	1.9
261.08783	1.1
269.12543	1.6
270.18033	1.5
272.16058	1.4
275.52393	1.2
281.19791	1.2
284.15994	6.6
287.13428	2.2
298.17569	1.9
299.20599	1.8
315.20264	5.3
323.17059	1.2
327.20221	5.4
343.19693	5.7
345.21191	4.4
354.21439	1.6
355.19687	1.4
370.24820	1.4
372.22189	1.5
382.20563	7.9
386.20212	5.8
397.24448	1.3
400.21829	4.7
419.62701	1.1
423.15878	1.1
437.04846	1.1
471.28992	13.7
481.27557	19.8
499.28619	24.0
515.32056	7.7
538.29596	6.7
669.38861	5.0
687.29163	2.2
687.40234	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.05500	11.1
57.03426	14.2
57.07058	2.5
59.04979	4.3
61.02905	6.6
65.03923	2.2
65.12070	0.5
67.05489	100.0
69.03416	0.9
69.07050	8.6
71.04957	2.7
73.02898	0.9
76.78668	0.5
79.05473	18.3
81.07034	37.8
83.04987	0.5
83.08596	9.5
85.02885	4.5
85.06516	2.2
91.03927	2.0
91.05455	14.8
92.08619	1.0
93.07021	24.9
95.04958	0.9
95.08582	25.7
97.02869	3.0
97.06520	1.0
97.10114	1.3
105.06995	6.5
107.08571	13.2
109.10139	75.7
111.08053	3.3
117.06977	2.4
119.08549	9.1
121.10114	10.4
123.11667	3.2
124.38970	0.5
125.09609	1.0
131.08543	4.7
133.10083	4.4
135.11676	6.9
137.09561	2.5
137.13199	1.1
141.91373	0.5
145.10065	3.9
147.11655	2.3
149.13203	3.8
155.10646	4.5
159.11667	2.8
161.13277	1.3
163.14777	2.3
173.11714	16.8
173.13179	2.3
187.14758	0.9
227.12776	2.3
229.14302	56.2
243.21069	2.3
246.07700	0.5
261.22064	11.0
286.06119	0.6
299.24002	0.6
317.24811	0.8
335.25720	43.7
335.78268	0.6
489.35669	30.1
507.36688	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	686.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72349	0.3
53.00296	0.9
53.03929	0.5
54.58340	0.4
55.01876	0.5
55.05505	7.7
57.03166	0.7
57.03426	8.0
57.07068	64.2
58.00215	0.3
59.04993	0.5
59.48969	0.4
61.02913	21.0
63.01449	0.4
67.05151	0.6
67.05494	15.7
69.03407	2.9
69.07055	11.0
71.04987	0.8
71.08616	47.7
73.02902	7.6
75.04456	2.5
79.05450	1.0
81.03383	0.9
81.07040	23.0
83.04930	0.4
83.08605	14.9
85.02891	21.1
85.06539	0.9
85.10168	27.4
89.05979	0.8
91.03938	17.4
91.05443	0.6
92.09340	1.0
93.07018	1.1
95.08585	34.1
97.02878	10.5
97.06508	0.6
97.10155	13.9
99.04426	0.9
99.11700	0.9
103.07539	0.9
107.08591	0.5
107.35117	0.4
109.02850	0.5
109.10142	15.4
111.11695	2.8
113.13284	0.8
115.03903	0.6
121.10140	0.8
123.11690	5.3
123.81010	0.4
127.03901	5.2
137.13226	3.5
145.04941	4.5
151.14754	0.8
158.84294	0.5
163.06012	5.8
177.36732	0.4
189.23094	0.4
193.04921	0.5
235.24304	0.6
250.44641	0.4
253.25208	16.4
268.32425	0.5
271.26199	4.9
327.28882	100.0
328.29132	1.1
345.29947	33.5
354.85928	0.5
489.34003	3.0
686.38702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93264	0.4
53.00291	0.6
53.03932	0.9
53.88155	0.5
55.05507	14.1
57.03429	17.5
57.07063	2.6
58.49448	0.5
59.04995	3.9
61.02903	5.5
62.17841	0.5
65.03924	0.8
65.25746	0.6
65.32294	0.5
66.40057	0.5
67.05495	100.0
69.03411	1.4
69.07059	9.2
71.04975	3.1
71.08627	0.6
73.02896	1.4
79.05476	24.8
81.03394	0.9
81.07043	43.4
83.04951	0.9
83.08601	8.7
85.02901	5.5
85.06523	2.7
91.03938	1.4
91.05465	14.4
93.07025	28.3
93.30265	0.5
94.73412	0.6
95.04966	2.4
95.08583	27.0
97.02891	2.8
97.06473	1.1
97.10150	1.0
99.08082	0.7
99.18224	0.6
105.04521	0.7
105.07004	8.7
107.08582	16.9
109.10145	77.3
111.08072	4.3
111.08736	0.6
117.07014	3.5
119.08557	11.3
121.10120	11.8
123.08006	0.6
123.11690	2.5
125.09618	0.8
131.08528	7.5
133.10124	3.2
135.11652	6.4
136.13484	0.5
137.09604	3.1
137.13264	0.7
137.37004	0.5
144.74054	0.6
144.95444	0.6
145.10106	3.4
147.11676	3.3
149.13243	4.7
155.10675	3.7
159.11700	2.7
161.13245	2.4
163.14798	1.1
167.26546	0.6
173.11754	13.4
173.13202	2.4
175.14897	0.8
209.48677	0.7
227.12764	0.9
229.14316	49.9
243.21028	3.7
261.22110	9.4
317.24603	1.3
335.25739	51.0
353.60083	0.6
415.31964	0.7
471.34299	0.6
475.26752	0.6
489.35687	40.8
507.36618	3.6
633.45093	0.6
641.20184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
57.03425	5.3
61.02910	0.4
69.03407	1.6
71.04984	1.6
73.02900	2.9
75.04459	20.3
78.37744	0.4
79.05477	1.5
81.03393	0.6
83.04961	1.7
85.02880	7.9
85.32655	0.4
91.03886	0.5
91.05457	9.0
94.04179	0.4
95.04953	3.9
97.02874	1.5
99.04451	0.5
101.06023	0.6
103.05453	1.9
105.06992	2.4
107.04935	2.5
107.08577	0.4
109.02833	0.6
109.06507	2.4
111.04432	1.8
114.37379	0.4
117.06971	0.9
119.04916	10.1
119.08602	0.5
121.02812	0.5
121.06485	2.8
122.03638	0.6
123.08022	0.5
127.03878	0.9
128.06151	0.9
129.05481	0.7
129.06969	7.8
131.04904	5.9
131.08549	0.5
133.06470	0.8
135.08055	3.0
136.05132	0.7
137.05954	52.0
145.06436	1.8
147.04391	0.9
147.08008	0.6
149.05951	7.1
151.03925	1.0
151.07521	60.2
152.07912	0.6
157.06479	6.8
158.07254	0.5
161.05962	7.9
161.09572	1.7
163.03799	0.4
163.07507	18.8
165.06972	0.9
165.09097	3.0
167.07153	0.7
167.08499	6.8
172.14172	0.4
174.06754	3.5
175.07518	5.5
177.05475	0.4
177.06856	0.5
177.07442	0.7
177.09065	17.5
178.07784	0.6
179.08476	0.5
189.09056	22.9
191.06940	0.5
193.06447	3.1
193.08545	0.6
193.10168	4.3
194.07173	0.7
195.08031	13.3
195.09933	1.0
203.08481	0.7
206.07248	0.6
207.08205	0.8
207.10152	4.4
209.05994	0.4
209.09633	2.2
210.06863	0.6
211.07509	0.8
212.08342	2.2
219.07857	0.4
221.06059	4.3
221.09561	7.2
221.11729	2.7
222.06715	0.5
223.07513	6.4
224.08292	2.1
225.09021	4.9
227.10629	20.5
235.07527	0.6
237.05524	0.6
237.09021	2.1
238.06152	0.6
238.09869	0.8
240.07799	2.2
241.12160	0.9
248.08205	0.5
249.09019	4.1
251.10530	0.5
253.08554	8.8
253.12204	11.1
255.10094	18.5
256.10767	0.6
263.10345	0.8
265.08496	0.8
266.09296	0.7
267.10031	3.9
269.08124	2.8
269.11761	0.6
270.08795	0.9
272.10309	1.6
281.11642	4.1
284.10281	1.5
285.11230	12.2
287.12729	31.2
288.13022	0.5
298.11917	0.5
299.12708	2.7
301.14294	0.9
305.11145	0.6
311.12671	0.9
313.14252	14.4
331.15338	100.0
332.15701	1.8
343.15237	3.5
367.15140	1.0
385.16165	1.6
423.17868	0.8
441.18961	1.8
459.20187	0.9
463.96619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20146	1.1
50.29073	0.7
53.00302	1.6
55.05508	11.3
57.03422	6.5
57.07067	63.3
61.02919	23.5
61.36739	0.9
67.05196	1.1
67.05492	19.6
69.03402	1.9
69.07050	11.0
71.08615	45.8
73.02901	8.6
74.57091	0.9
75.04474	1.3
79.05469	1.5
81.03402	1.2
81.06594	1.7
81.07036	27.0
83.08594	15.0
85.02891	28.4
85.09645	1.3
85.10165	31.9
85.42563	1.0
88.34202	1.1
91.03935	18.8
93.07012	1.9
95.08583	41.3
97.02873	11.3
97.10148	14.8
102.63462	1.0
105.07059	1.0
109.10132	15.9
111.11684	3.7
115.03884	1.2
119.08682	0.9
123.11693	9.0
127.03872	6.9
137.13226	1.7
145.04919	6.4
163.05989	8.2
212.01799	1.1
253.25169	20.3
271.26312	6.3
277.71030	1.0
284.29208	1.5
327.28867	100.0
328.29303	1.5
345.29913	48.4
346.30206	1.6
354.80917	1.1
571.09778	1.1
686.38538	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29166	0.5
55.01858	0.5
57.03426	8.0
60.88342	0.6
61.02909	0.5
66.10701	0.5
69.03408	2.3
71.04974	0.8
73.02911	4.9
75.04462	18.1
76.21694	0.5
78.24323	0.5
81.03390	0.8
83.04970	1.0
85.02893	9.2
91.05454	9.0
95.04958	4.6
97.02861	2.5
99.04474	0.6
103.05427	2.1
105.07005	2.3
107.04932	1.2
109.06506	3.2
111.04436	2.2
117.06998	0.9
119.04904	10.4
121.06471	3.7
122.03618	1.2
123.08074	0.7
124.48001	0.6
127.03854	2.3
129.06972	6.7
131.04898	6.4
131.08572	0.7
133.06458	1.1
135.04370	0.7
135.08017	3.9
137.05962	56.2
141.26007	0.5
145.05000	0.7
145.06424	1.0
147.04390	1.1
149.05966	7.5
151.03918	1.0
151.07526	58.8
157.06450	7.2
161.05936	6.8
161.09601	0.9
163.07518	21.2
165.06976	2.8
165.09077	3.5
166.82520	0.6
167.08469	5.1
174.06712	3.2
175.07520	5.7
177.09081	16.8
178.07890	0.7
187.07426	0.7
189.09071	20.9
193.06442	3.7
193.10115	3.9
194.07259	0.6
195.08047	12.1
197.05975	1.0
197.09570	1.3
203.08492	1.1
207.08380	0.6
207.10054	3.9
209.09650	2.2
210.06657	1.1
212.08365	1.3
221.05939	6.3
221.09674	6.5
221.11726	2.1
223.07462	6.9
224.08224	1.1
225.05411	0.6
225.09026	5.5
227.07150	0.7
227.10623	23.6
237.09061	2.1
238.06238	1.1
238.09874	0.7
240.07686	2.9
241.12337	0.8
249.09106	3.3
252.07678	0.7
253.08543	8.0
253.12144	9.9
255.10123	24.3
263.10587	0.7
266.09396	0.7
267.10104	4.7
269.08038	2.2
269.11578	1.2
272.10416	0.8
281.11646	3.5
284.10345	2.3
285.11194	13.6
287.12720	30.1
293.11450	0.6
298.11786	0.7
299.12686	4.2
301.14481	0.8
311.12628	1.1
313.10788	0.8
313.14282	17.0
331.15341	100.0
332.15811	0.8
343.15384	4.0
380.07233	0.6
385.16187	0.8
397.16336	0.6
441.19028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
53.98952	0.7
55.01861	8.8
57.03430	8.0
61.02910	6.0
66.14060	0.8
69.03415	32.7
71.04964	1.6
73.02895	3.8
81.03398	4.0
85.02890	100.0
86.03240	1.1
87.04427	1.0
91.03909	1.2
97.02866	32.5
99.04446	7.9
101.02345	4.7
109.02840	6.3
115.03907	3.2
127.03893	61.9
128.04208	1.3
136.06213	1.0
142.98120	0.8
145.04942	38.7
145.23244	1.0
156.43491	0.9
163.05974	16.3
242.93399	0.9
246.88115	0.9
259.08087	1.5
289.09103	4.4
325.11218	13.9
527.96075	0.9
645.25891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.5
64.06553	2.8
67.05492	3.2
69.03428	6.2
70.06580	5.3
72.08128	3.5
79.83465	3.6
81.03422	3.9
84.04494	4.7
84.08114	3.2
85.02885	14.7
86.09721	7.3
91.05449	12.2
92.08749	4.3
97.02866	6.1
99.04416	5.3
105.07039	3.7
108.05299	3.0
110.07121	5.6
119.04900	6.5
127.03906	3.5
128.06184	4.8
129.06956	8.2
131.04900	16.2
131.08499	3.6
137.05969	74.9
149.05986	4.2
151.07524	42.3
161.05923	5.1
163.03961	4.8
163.07501	34.0
174.06665	5.4
175.07449	5.0
177.05447	3.8
177.09070	56.2
189.09084	17.7
195.08086	6.1
203.08170	5.3
219.10028	12.1
223.07550	3.4
227.10645	22.0
241.13420	12.7
245.09113	7.8
245.41566	3.5
255.10138	12.2
259.14377	38.0
263.10138	6.1
267.10190	5.2
285.12302	100.0
287.12692	21.0
305.11346	15.7
313.14328	18.4
331.15366	41.8
380.19843	4.5
382.21063	31.2
394.77423	3.6
406.17355	17.9
407.23511	4.0
408.19232	39.1
425.24347	3.9
426.19922	17.8
452.17828	24.3
456.21140	5.2
482.18951	29.8
491.28864	20.0
524.77625	3.9
685.26996	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	33.5
55.78574	3.7
57.03428	4.8
57.07072	5.8
67.05503	65.8
68.91395	4.0
69.07059	54.5
71.04958	8.6
76.47351	3.8
79.05463	34.3
81.07040	85.5
83.04978	4.5
83.08591	32.6
86.77203	3.9
90.13588	4.1
91.05441	6.3
93.07026	48.0
93.75368	3.8
95.08582	100.0
97.06502	9.4
97.10151	16.5
105.07021	8.7
107.08561	28.3
109.10144	61.5
111.08087	7.2
119.08534	6.7
121.10132	35.2
123.11672	8.8
127.11179	7.8
133.10106	17.3
135.11649	20.7
137.09686	3.8
139.11180	6.5
145.10117	14.8
147.11685	5.0
149.07155	4.2
149.13208	5.4
159.11685	5.5
174.11861	4.5
215.18027	7.0
233.18999	28.2
237.21999	5.0
251.20026	62.0
269.21112	78.2
358.06506	4.1
363.64697	4.5
395.31506	21.9
413.32187	6.9
487.41516	8.1
505.42267	26.4
523.43445	21.3
536.81262	4.6
550.49432	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	684.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.8
55.01870	3.8
55.05275	2.2
55.05499	20.1
57.03428	90.6
57.07055	3.0
59.08622	1.7
61.02917	3.9
67.05493	49.7
69.07052	16.7
79.04995	3.3
79.05470	100.0
81.07034	78.5
83.04957	4.8
83.08614	4.9
85.02892	4.1
91.05451	24.0
92.63092	2.4
93.07021	40.8
95.04939	2.9
95.08575	31.8
97.02876	2.4
105.07008	16.0
107.08580	50.9
109.06506	5.3
109.10146	20.5
111.08052	2.5
117.06997	4.8
119.08576	10.7
121.10126	18.1
123.11724	3.1
125.09606	29.6
131.08562	8.7
133.10097	10.0
135.08035	12.5
135.11679	11.0
145.10126	8.8
147.11705	2.6
149.13272	4.7
153.09073	13.9
159.11668	3.6
161.13301	3.8
163.14783	2.4
164.20096	2.3
172.70163	2.2
187.14790	2.4
225.11148	3.2
227.12746	91.6
243.21109	3.6
253.60413	2.5
261.21960	20.2
335.25748	36.9
466.65314	2.2
487.34009	44.6
505.34662	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
54.15976	0.9
54.81196	1.3
55.05506	45.1
57.03432	19.3
57.07065	25.7
61.02916	46.5
67.05492	61.9
69.03410	5.5
69.07056	83.8
70.35609	1.0
71.04968	2.7
71.08616	15.5
73.02905	19.4
73.46113	1.0
75.04469	1.7
79.05482	32.2
81.03392	2.2
81.07041	87.3
83.04950	1.7
83.08604	58.6
85.02892	45.8
85.06532	2.7
85.10163	7.0
86.09695	1.8
91.03938	37.0
91.05425	2.9
93.07026	47.6
95.08587	78.8
96.04474	1.1
97.02878	27.1
97.06519	16.7
97.10144	46.2
99.04410	2.1
99.08044	2.9
105.06989	1.3
107.08575	34.7
109.10140	31.0
111.08064	12.9
111.11702	14.9
113.09655	1.5
115.03877	1.8
115.42200	1.2
121.10123	73.1
123.11675	11.5
125.09587	6.9
125.13267	1.5
127.03870	10.5
127.11211	1.8
135.11671	49.6
137.13228	10.7
139.11111	2.2
145.04942	11.9
149.13240	20.2
151.14793	8.3
153.12720	2.6
163.05978	10.7
163.14799	7.5
167.14317	1.5
177.16333	2.9
181.15791	1.2
183.40036	1.2
184.07260	2.1
191.17860	2.6
233.22610	38.0
251.23648	84.5
269.24747	17.8
325.27313	100.0
326.27841	2.1
343.28400	78.5
344.28641	1.7
467.46600	1.2
487.32516	5.4
580.54456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.1
54.18284	1.9
55.05268	3.0
55.05506	49.1
57.03414	14.2
57.07069	30.1
58.76194	2.0
59.57861	2.1
61.02916	51.7
67.05199	3.3
67.05500	61.1
69.03429	3.9
69.06718	3.6
69.07059	79.4
71.04957	3.6
71.08602	10.7
73.02894	18.6
75.04452	3.3
76.59609	2.5
79.05476	33.9
81.03379	3.2
81.07037	91.0
81.07482	5.5
83.08605	61.2
85.02888	58.3
85.10145	2.5
91.03931	46.1
91.05407	3.4
93.07018	50.3
95.08590	77.0
97.02859	22.7
97.06503	12.1
97.10159	39.5
101.02410	3.3
107.08571	35.4
109.10143	35.6
111.08092	11.6
111.11717	14.7
121.10126	70.0
123.11673	9.6
125.09613	4.5
127.03859	6.0
135.11659	54.1
137.13235	6.4
139.11154	3.9
145.04939	14.2
149.13232	22.6
151.14783	11.4
158.97992	2.5
163.05980	20.9
163.14738	6.0
177.16455	3.2
233.22583	45.4
251.23640	95.2
269.24771	18.1
279.27896	3.0
289.12451	2.7
325.12482	2.7
325.27289	100.0
325.30844	4.9
343.28391	95.8
468.52213	2.6
539.88354	2.6
681.08032	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	681.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05499	0.9
57.03430	2.9
60.33163	0.5
61.02918	4.7
62.93505	0.6
67.05489	4.2
69.03414	2.5
69.07050	1.1
73.02894	2.8
79.05481	3.7
81.03400	3.9
81.07033	6.6
83.04953	0.7
83.08591	1.5
85.02873	5.4
91.03934	2.7
91.05460	4.1
93.07011	5.4
95.04934	1.6
95.08585	1.1
97.02861	4.1
101.02390	1.4
103.05558	0.7
105.07020	4.0
107.08611	1.4
109.02895	0.9
111.08090	0.7
119.08551	0.9
121.10106	3.1
123.08086	0.8
127.03898	1.4
131.08534	0.9
132.42116	0.6
133.10115	1.3
135.93509	0.8
137.06033	0.7
147.11655	0.8
148.07173	0.6
149.13255	1.4
159.11606	0.9
161.02356	0.7
183.11522	1.0
185.68304	0.6
193.12274	1.0
233.31128	0.7
235.13065	1.3
243.08417	2.7
251.12431	0.8
268.37643	0.6
453.21075	5.8
469.20441	11.0
681.34412	100.0
682.34900	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	683.4492
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
53.58789	1.9
55.05508	2.3
57.03474	2.2
60.53202	1.9
67.05495	18.1
69.07021	3.4
71.12592	2.4
72.79145	2.5
79.05459	3.5
81.07020	10.4
91.05467	2.5
91.58907	2.1
93.07013	5.4
95.08586	5.6
107.08556	2.4
115.24886	2.3
259.07996	2.5
333.42740	2.3
349.19858	15.9
438.48257	2.4
476.21234	2.5
683.44806	100.0
684.44727	3.6
704.33661	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	680.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
54.81211	1.5
55.01863	2.1
55.05313	1.0
55.05507	17.1
57.03418	8.4
57.07071	2.3
61.02916	40.3
65.03934	1.2
67.05492	79.1
69.03412	2.5
69.07056	17.8
73.02892	17.0
79.05474	53.2
80.05786	1.3
81.03396	1.3
81.07038	100.0
83.08590	7.0
85.02890	42.9
85.06511	1.6
89.31121	1.5
91.03941	32.6
91.05451	28.3
93.07024	71.3
95.04939	2.9
95.08585	79.8
97.02876	17.1
97.06505	6.4
97.10140	2.6
105.07022	30.1
107.08576	59.8
109.06495	2.3
109.10146	43.8
111.08071	2.8
117.06984	9.4
119.08548	19.0
121.10119	41.6
123.11676	15.7
127.03867	7.8
131.08528	22.6
133.10103	21.1
135.11670	38.0
137.05963	3.1
137.09573	1.7
137.13231	2.8
137.85852	1.4
139.11153	2.7
145.04936	8.4
145.10120	25.8
147.11679	15.1
149.13258	23.8
151.11159	1.8
158.39178	1.5
159.11668	19.1
161.13214	5.6
163.05986	11.3
163.14827	5.5
165.12703	1.8
165.58708	1.4
171.11639	1.7
173.13245	16.8
176.14902	1.4
187.14806	6.0
219.21071	2.7
229.19475	29.0
247.20529	82.4
248.20949	1.4
265.21643	3.0
266.40100	1.6
321.24213	32.4
339.25235	51.9
340.25555	1.7
483.29233	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	680.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.8
55.98000	1.8
57.03429	10.8
57.07058	3.1
57.43037	2.2
61.02912	42.3
67.05492	89.5
69.03391	2.4
69.07053	15.0
71.15623	2.2
73.02890	23.9
79.05475	69.0
81.03397	4.4
81.07040	100.0
83.08602	5.7
85.02888	50.1
91.03934	34.3
91.05475	33.8
93.07019	87.0
95.04961	4.3
95.08011	4.2
95.08590	89.0
97.02855	25.7
97.06516	5.0
99.08099	2.7
104.26259	2.2
105.07021	34.6
107.08577	70.0
109.06534	2.9
109.10149	44.7
117.06992	15.9
118.44949	2.5
118.96482	2.3
119.08559	27.5
121.10119	58.8
123.11659	18.3
127.03867	9.3
131.08568	31.0
133.10106	20.1
135.11676	45.1
137.09531	4.2
137.13245	2.4
145.04953	13.7
145.10085	35.1
147.11711	21.1
149.13248	32.8
159.11665	28.7
161.13216	5.3
163.05975	20.3
173.13260	12.2
187.14851	5.5
219.58699	2.4
229.19508	37.4
247.20532	96.8
274.90250	2.6
321.24200	17.6
339.25308	67.4
457.09006	2.6
465.24069	3.6
483.29114	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11945	1.2
52.22569	1.0
53.03933	2.0
55.01865	1.4
55.05506	24.3
57.03424	7.0
57.07062	13.0
61.02915	20.7
67.05491	90.5
69.03420	1.8
69.07055	33.9
71.04955	1.2
71.08619	6.5
73.02902	8.0
75.04469	1.2
75.89639	1.2
75.90092	1.0
79.05475	26.9
81.03394	1.3
81.07037	100.0
82.22580	1.2
83.08596	19.5
85.02892	19.6
85.06527	2.5
85.10162	1.9
91.03939	15.8
91.05463	16.1
93.07018	30.8
95.04929	1.3
95.08584	91.3
97.02874	9.4
97.06521	6.3
97.10149	12.0
99.04433	1.7
102.34575	1.2
104.59347	1.5
105.06996	17.3
107.08582	23.7
109.06416	1.5
109.10144	41.5
111.08078	6.6
111.11715	2.3
113.09670	1.5
117.06970	1.3
119.08542	13.2
121.10120	19.1
121.40816	1.3
123.11707	19.8
127.03884	2.6
131.08511	1.3
133.10098	20.1
135.11656	10.3
137.13246	5.0
139.11209	1.4
141.12784	1.4
142.76410	1.2
145.04942	1.8
147.11682	10.7
149.13206	9.4
151.14832	2.6
161.13216	14.2
163.06026	6.0
163.14801	7.6
165.12827	1.5
165.16353	2.5
175.14790	12.0
179.17889	2.8
189.16322	2.3
203.17899	1.8
212.05899	1.2
245.22552	33.5
263.23654	48.4
265.25323	1.7
337.27325	43.3
355.28610	4.8
361.44931	1.4
499.32443	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	679.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48479	0.4
55.05480	0.7
60.54633	0.4
67.05469	0.7
69.03728	0.5
77.00883	1.0
79.05498	1.0
81.07055	0.7
83.04906	0.8
83.08594	0.6
91.05495	0.7
92.21665	0.5
95.01936	0.8
95.08566	0.7
97.35983	0.6
99.04469	0.7
99.87361	0.5
105.07018	0.8
109.10098	0.6
132.05211	0.5
133.10077	0.7
135.08981	0.6
137.05952	2.7
145.45114	0.5
177.05563	0.8
185.06554	0.8
197.04291	0.6
201.09540	0.7
215.11264	4.0
227.11064	0.6
233.12202	2.0
234.59615	0.7
241.12785	0.8
243.14386	2.2
253.12828	3.2
257.12305	2.4
271.14017	4.6
278.28220	0.6
281.12381	0.9
322.09454	0.5
333.19000	4.9
351.21350	100.0
352.21603	0.7
369.21091	5.3
427.95441	0.7
508.79254	0.7
679.42462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18378	0.1
53.89758	0.1
54.93345	0.1
57.03404	0.1
58.61621	0.1
61.02898	0.1
64.33357	0.1
69.03415	0.2
79.05466	0.1
81.03407	0.1
81.07024	0.1
85.02898	0.5
91.05489	0.6
91.15444	0.1
94.04163	0.5
97.02885	0.2
97.77699	0.1
103.05445	0.3
107.04971	0.1
109.06496	0.2
111.04438	0.1
119.04908	0.5
121.02847	0.1
121.06486	0.1
122.03627	2.4
131.04903	0.8
135.08072	0.1
137.05960	100.0
138.06319	0.7
149.05930	0.3
151.07536	0.8
153.06944	0.1
156.07463	0.1
163.07521	1.5
175.07521	0.3
177.05457	0.1
181.08562	7.8
213.09106	0.1
251.10704	0.1
253.08514	0.1
263.06464	0.1
273.11145	0.3
285.11316	0.1
311.12766	0.2
329.13599	0.1
634.23743	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	679.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
56.05022	0.9
60.04509	1.0
61.02915	0.4
68.05013	0.4
69.03413	2.1
70.06568	1.2
71.05003	0.3
72.54425	0.2
80.04984	1.1
81.03407	3.0
82.06584	0.3
83.01351	0.4
83.04964	0.3
84.04493	24.6
85.02883	0.5
92.09306	0.8
96.04474	16.0
97.02880	3.7
98.06032	7.3
99.04434	1.2
100.03938	0.3
102.05522	3.2
105.06944	0.2
108.04468	0.5
109.02892	3.9
109.09713	0.2
110.06004	0.3
114.05534	0.3
116.07082	3.8
124.03916	0.8
126.05495	30.0
127.03869	1.8
130.04993	2.5
138.05482	100.0
139.05858	0.3
144.06541	22.5
148.06030	9.1
168.06526	15.1
186.07579	11.8
204.08646	15.8
204.32330	0.3
222.09727	0.5
230.10185	0.3
258.09695	0.4
288.01031	0.3
291.11838	5.3
301.13943	5.6
329.13379	15.2
339.33704	0.2
347.14594	0.3
387.21301	0.2
391.94424	0.3
458.17859	0.5
476.18695	4.0
496.19330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36259	2.3
53.03927	2.4
54.81867	2.0
55.01861	11.5
55.05507	37.8
57.03441	17.8
57.07073	2.7
67.05490	88.5
69.03403	3.0
69.07057	20.7
71.04971	4.2
79.05477	67.5
81.03394	11.3
81.07039	100.0
83.04964	16.6
83.08161	2.3
83.08578	19.4
84.34699	2.2
90.53363	2.8
91.05453	37.8
93.07024	61.4
95.04948	24.9
95.08588	46.9
97.06542	3.3
97.10147	14.8
105.07017	29.4
107.04929	4.8
107.08574	33.7
109.06500	5.5
109.10146	20.3
111.04428	4.8
111.08048	6.0
113.52760	3.0
115.05363	2.3
117.06996	10.8
119.08546	23.3
121.06541	2.5
121.10128	23.3
123.08057	16.0
125.09629	14.2
129.06990	5.0
131.08549	14.2
133.10083	10.1
135.08067	5.8
135.11713	17.5
137.09567	10.0
143.08560	4.6
145.06480	3.0
145.10138	13.8
147.07996	3.3
147.11659	5.0
149.09657	4.5
149.56932	3.0
157.10138	4.6
159.08018	2.4
159.11638	3.9
159.17754	2.2
163.11162	15.8
171.11575	2.7
173.13245	3.7
175.11124	2.9
181.12280	3.1
189.11197	4.9
227.12584	4.5
250.26772	2.4
261.22183	2.6
273.18457	22.9
291.19424	35.7
335.25757	68.6
337.74304	3.2
365.23187	16.8
383.24142	5.7
581.82996	2.7
625.44476	28.0
643.45624	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75618	0.5
53.00295	1.0
53.03930	1.5
54.81350	0.6
55.01848	1.0
55.05502	15.8
57.03427	9.7
57.07063	5.3
61.02639	1.0
61.02919	18.9
62.38601	0.5
65.03931	2.8
67.05492	84.5
69.03410	3.5
69.07050	15.9
71.04984	2.0
73.02908	9.3
75.04434	0.7
79.05473	52.2
79.83583	0.6
81.03418	2.7
81.07036	100.0
83.04957	1.2
83.08598	9.1
85.02889	20.2
85.06541	2.9
91.03928	17.2
91.05456	27.0
93.07021	72.3
95.04944	5.6
95.08582	76.4
97.02863	11.1
97.06533	4.2
97.10175	4.7
99.04441	0.9
99.08064	2.7
103.03024	0.8
105.04498	0.7
105.07003	20.4
107.08574	46.8
109.06487	2.8
109.09393	1.3
109.10141	35.2
111.08061	1.4
113.09634	1.3
117.06998	11.1
119.08552	18.4
121.10117	40.9
123.07993	0.8
123.11671	14.3
127.03917	4.3
131.08551	24.6
133.10104	16.7
133.11037	1.2
135.11664	29.6
137.09607	2.7
137.13226	4.9
139.11159	1.1
145.04948	3.4
145.10121	17.4
147.11662	11.3
149.09676	0.9
149.13240	17.6
151.11176	0.9
151.14868	0.7
154.57501	0.6
159.11668	15.1
161.13243	11.0
163.05984	5.9
163.14774	9.7
165.12737	0.8
171.11528	0.6
173.13235	14.2
175.14799	3.0
177.12672	1.1
177.16344	4.8
179.14314	1.6
185.13242	0.7
187.14787	8.9
189.16481	0.7
201.16402	3.0
205.15862	1.2
227.95023	0.7
233.22597	3.0
243.21027	23.8
261.22064	63.9
279.23160	3.4
306.73343	0.9
317.24881	0.7
335.21875	1.3
335.25726	24.7
353.26767	26.9
497.30905	4.5
653.27618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81468	0.1
54.31083	0.1
55.01870	0.3
57.03423	0.2
61.02908	0.1
65.03902	0.2
66.04717	0.2
67.05478	0.2
68.61304	0.1
69.03412	0.7
70.06571	0.1
79.05479	0.6
81.03399	0.4
81.07027	0.2
82.50568	0.1
85.02899	1.8
85.97868	0.1
91.05466	0.9
93.07024	0.1
94.04155	1.6
95.04942	0.2
95.19794	0.1
97.02859	0.7
103.05486	0.2
105.06998	0.5
107.04935	0.7
108.65842	0.1
109.02846	0.2
109.06495	0.6
109.10123	0.1
111.04439	0.3
117.43407	0.1
118.07272	0.1
119.04920	0.6
121.06480	0.7
122.03622	5.5
123.04436	0.1
127.03911	0.2
131.04897	1.0
133.06482	0.6
137.05957	100.0
138.05330	0.1
138.06299	0.6
141.07080	0.1
145.06430	0.2
146.03615	0.5
147.04385	0.9
149.05983	0.9
151.03851	1.4
151.07472	0.8
153.05457	0.2
153.06961	0.2
154.07631	0.1
155.08519	0.1
159.04390	0.1
161.05933	3.3
161.07166	0.2
162.06569	0.1
163.07533	0.6
165.06950	1.3
166.07780	0.5
167.08495	0.2
168.05634	0.1
175.07559	0.5
177.06992	0.2
178.07741	0.2
179.06975	0.7
179.08527	1.0
181.06454	0.6
182.07304	0.9
183.08032	0.6
187.07545	0.2
191.06882	0.1
193.06421	1.6
194.07256	1.4
195.08026	0.5
197.09608	0.5
199.07544	0.2
205.06532	1.2
206.07256	0.2
207.08064	0.9
209.06018	0.1
209.09673	0.5
210.06769	1.2
211.07562	1.2
213.09142	0.2
219.08076	0.3
221.05946	2.9
222.06696	1.5
223.07530	0.2
224.08299	0.7
225.09081	2.1
226.09851	0.2
227.07045	0.5
233.05923	0.6
234.06715	0.7
235.07484	0.7
236.08264	0.2
237.09065	2.5
238.06212	0.5
239.06984	0.7
239.10675	0.4
240.07664	0.2
241.08452	0.2
249.09010	1.4
250.06187	0.6
251.06960	0.4
252.07791	0.7
253.08549	2.5
254.09309	0.3
255.06520	0.2
259.09711	1.5
262.06155	0.4
265.08542	5.0
266.09302	0.6
267.10150	1.7
267.15887	0.1
268.07385	0.2
269.11914	0.2
270.08881	0.5
271.09607	1.1
272.10107	0.2
273.11053	0.3
277.08551	2.0
279.10126	0.1
281.07886	0.2
282.08853	0.5
283.09604	1.0
284.10358	0.3
285.08020	0.3
285.11160	8.9
294.08829	0.5
295.09378	0.5
297.11292	3.4
309.11249	1.9
313.10776	0.2
319.17328	0.1
327.12366	1.3
329.11624	0.6
341.11768	0.4
343.09399	0.1
346.11545	0.1
358.11890	0.2
361.14282	1.0
373.14154	0.5
389.13913	0.8
401.13745	1.2
421.16391	9.8
433.16388	11.8
451.17480	3.4
556.74469	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72783	0.7
52.08310	0.8
53.03941	2.2
55.01865	0.9
55.05504	17.6
57.03432	8.9
57.07079	6.7
61.02914	42.6
65.03914	1.2
67.05490	98.8
69.03410	4.7
69.07053	20.0
69.66600	0.8
71.04964	3.6
71.08608	1.2
73.02905	18.4
79.05473	65.7
81.03396	1.6
81.07038	100.0
83.08593	9.1
85.02890	40.8
85.06540	1.3
89.92860	0.8
91.03934	35.0
91.05460	33.3
92.08698	1.1
93.07021	88.0
95.04933	7.2
95.08582	81.5
95.09206	2.2
97.02865	17.4
97.06498	4.8
97.10143	3.9
99.04427	1.3
99.08072	4.0
103.03915	0.9
105.07018	28.6
107.08578	51.8
107.09297	1.8
109.02870	1.2
109.06503	1.8
109.10142	36.8
111.08020	1.7
117.06989	12.8
119.08569	21.0
121.10113	50.1
123.11680	15.9
125.09601	1.1
127.03899	9.5
127.53070	1.2
131.08545	27.5
133.10104	20.0
135.11682	36.5
137.09563	1.5
137.13252	5.4
145.04933	11.2
145.10097	21.5
147.11653	15.1
149.13223	22.4
151.11194	1.4
151.14783	1.7
157.10124	1.6
159.11646	16.8
161.13205	9.6
163.05978	16.2
163.14818	12.6
173.13239	16.5
175.14760	4.1
177.16367	6.3
179.14339	1.8
187.14772	10.7
201.16418	3.5
215.17773	1.2
223.58434	1.0
233.22490	1.8
243.21011	24.8
250.90025	1.1
261.22064	82.2
263.23837	1.2
271.67905	1.0
279.23083	3.3
335.25812	15.4
353.26767	32.4
405.26270	1.1
497.31027	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81548	0.5
56.96285	0.7
56.96551	12.6
57.03388	0.5
60.39246	0.4
62.50953	0.4
67.05485	0.8
71.95240	0.5
80.61180	0.6
81.00285	0.5
81.03400	0.5
81.07027	0.9
91.05430	0.9
93.06993	0.8
105.07016	0.9
119.08542	0.5
139.50139	0.5
173.04875	0.7
187.06348	1.0
195.06778	2.0
199.06398	2.6
203.05847	0.6
207.06845	0.7
210.30403	0.5
213.05884	0.9
213.07927	20.6
213.09879	0.9
217.07506	4.0
221.08344	0.8
223.10062	1.0
225.07852	5.6
225.11459	0.7
231.08995	37.9
239.09459	4.6
243.09038	5.8
251.09402	12.9
257.10599	5.2
269.10544	100.0
270.10934	1.0
287.11594	96.5
292.12158	4.5
310.12976	0.8
416.56876	0.6
463.23581	74.2
464.14728	0.5
464.24133	1.0
477.27969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01865	1.2
55.05505	5.7
57.03425	6.1
61.02914	8.9
67.05493	8.2
69.03413	2.4
69.07053	2.3
71.04971	2.5
73.02896	3.1
75.04452	1.0
79.05477	10.0
81.03400	100.0
81.07040	9.3
82.58038	0.5
83.04963	5.1
83.08604	22.0
85.02886	10.4
85.06537	0.7
91.03948	9.9
91.05457	13.6
92.09413	0.9
93.07021	7.7
95.04948	31.6
95.08596	2.1
96.98522	0.4
97.02874	7.0
97.06498	0.9
97.10154	2.5
99.04464	0.8
105.07014	11.2
107.04935	8.9
107.08582	3.6
108.82092	0.5
109.02883	1.0
109.06509	1.9
109.10156	1.2
111.04425	2.6
111.08062	10.5
115.05464	1.1
117.07003	0.9
119.04974	1.1
119.08581	10.9
121.06503	2.5
121.10114	6.9
123.04430	3.2
123.08067	0.9
127.03907	2.9
129.06981	9.9
131.08562	8.4
133.06477	3.8
133.10078	5.6
135.08073	0.5
135.11707	0.6
137.05988	0.9
137.09605	2.1
142.07785	2.7
145.04944	2.3
145.10048	0.8
146.49153	0.6
147.04376	2.9
147.08008	4.4
147.11655	8.6
149.09586	5.9
157.10100	12.9
161.05934	0.8
163.05969	3.6
163.11127	0.8
165.12723	2.1
171.11612	0.6
175.11166	15.4
177.05452	0.5
181.34961	0.6
189.12654	1.1
193.12209	58.3
207.13780	0.8
211.13258	6.9
235.13263	4.5
242.05273	0.5
259.13300	0.9
267.15860	34.5
273.14877	1.9
285.16910	61.4
301.14218	1.8
309.16895	13.8
309.20053	0.9
310.61456	0.6
319.15570	0.8
327.17941	1.0
351.18161	2.0
363.18042	4.6
375.17764	3.8
393.19055	3.4
411.20251	2.6
429.21054	9.1
591.26434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01862	4.5
55.05502	28.0
57.03429	24.1
57.07058	2.2
59.04978	1.6
60.27284	1.1
61.02904	8.8
67.05492	70.6
67.05853	2.3
69.03409	5.9
69.07049	23.2
71.04976	7.7
73.02889	1.8
77.17541	0.9
79.05475	50.9
81.02931	2.3
81.03400	68.2
81.07038	88.2
83.04970	24.6
83.08601	39.2
85.02886	34.5
85.06525	6.9
91.05457	48.7
92.09299	2.4
92.63531	1.0
93.07023	67.5
95.04340	1.6
95.04943	34.2
95.08582	21.1
97.02865	7.2
97.06487	10.9
97.10129	6.1
98.06387	1.2
99.08064	2.3
103.05436	1.1
105.07012	28.7
107.04912	8.2
107.08572	33.8
109.06516	6.2
109.10154	4.3
111.08051	15.7
113.06015	1.9
117.07013	9.6
119.08549	22.7
121.06431	1.8
121.10113	20.8
123.08064	2.1
123.11705	2.4
125.09595	2.1
127.03886	1.6
127.34792	1.1
129.06964	12.3
131.08542	22.4
133.06448	2.0
133.10112	17.5
135.08040	1.6
135.11652	8.4
137.05995	2.6
137.09561	1.9
142.07697	2.1
147.08075	4.6
147.11681	15.8
149.09602	7.3
149.13243	18.7
157.10120	16.1
159.11665	9.8
165.12752	2.5
175.11140	15.9
177.12671	5.3
189.04979	1.3
193.12183	38.7
194.92915	1.1
195.13802	7.7
211.13237	40.9
231.66130	1.2
267.15848	21.4
269.17395	50.9
285.16904	33.7
303.25504	1.2
461.28909	62.8
462.28894	1.4
479.29974	100.0
498.99179	1.5
546.13574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22696	0.8
61.22107	0.8
62.12556	0.8
65.77159	0.9
67.05479	1.1
69.03426	2.0
69.07063	1.7
69.53209	0.9
69.65923	0.8
71.04993	1.0
79.05480	9.2
80.04991	1.3
81.03376	1.5
81.07024	1.1
83.04955	1.1
85.02895	2.0
91.05468	7.1
93.07019	9.7
95.04950	2.1
95.08574	1.0
97.02868	1.9
99.04435	3.4
101.16023	0.8
103.03936	1.5
103.05465	8.3
104.46561	0.9
105.05775	1.1
105.07021	1.4
109.02856	4.6
118.06532	2.1
119.07286	3.5
120.08080	28.4
120.08883	1.8
121.06499	1.1
121.10151	1.1
127.03883	6.2
129.54141	0.9
131.04892	4.1
131.08508	1.1
133.33374	0.8
137.05952	12.9
143.07318	1.5
145.02783	1.2
145.04829	0.9
145.10156	1.1
147.11671	4.2
148.07545	47.1
148.72705	0.9
151.03897	1.3
163.07526	3.9
163.61003	1.0
173.13260	1.2
175.07439	1.4
177.05533	1.3
185.10699	2.1
191.14247	4.6
193.06340	1.1
196.72102	1.1
200.13008	9.1
201.13878	4.5
204.10201	5.4
223.12187	1.1
227.11841	11.8
228.10124	1.1
239.11775	6.1
241.13356	2.0
243.07805	1.0
247.10794	1.0
253.08746	1.2
260.21106	1.0
266.13110	1.2
267.11185	5.3
268.11856	1.9
269.12845	10.1
280.14343	1.5
281.12839	6.7
283.14313	1.2
291.14905	1.0
294.15878	8.4
299.13782	5.1
306.15735	1.3
308.17487	5.5
316.14508	1.2
318.16013	13.5
319.13589	1.8
321.14838	1.1
329.16138	1.4
332.17499	14.6
334.15463	14.0
335.16226	1.6
336.17004	18.7
337.15341	2.0
346.15433	3.4
347.17136	1.4
348.17023	4.4
350.18613	6.9
352.16467	3.7
362.14816	11.5
366.17743	1.2
367.18558	1.1
368.19604	22.6
376.16531	5.6
390.17935	5.4
391.19067	12.0
392.19608	3.7
394.17480	6.4
406.17319	7.3
407.18442	1.9
408.19080	15.5
409.19928	13.4
418.17450	6.3
425.19263	1.9
434.16736	3.5
435.17758	16.7
436.18588	33.2
450.20001	5.9
453.18726	6.0
468.21387	11.6
484.20807	4.8
494.19168	4.6
512.20154	49.2
513.20410	1.4
529.20551	1.4
530.21252	100.0
531.21289	4.2
677.26764	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	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69649	0.5
54.81623	0.5
55.05505	0.7
57.84044	0.5
67.05499	3.0
69.07070	0.9
74.28143	0.6
79.05478	2.5
81.03423	0.7
81.07048	2.6
83.08603	0.7
91.05489	0.8
93.07047	2.7
95.08574	0.9
107.08556	0.8
121.10171	0.9
131.08537	0.6
132.74715	0.5
133.10120	0.6
135.11682	1.3
163.11198	0.9
203.07646	0.6
227.12756	1.1
269.17523	2.1
283.15393	0.9
312.71674	0.5
453.15460	1.0
468.14194	1.2
469.14618	8.5
470.15540	1.2
477.28452	2.4
478.28830	3.7
481.14886	2.2
482.15765	9.3
483.16614	11.6
484.17264	1.0
495.16882	1.3
496.17435	5.5
497.18100	39.9
498.18698	3.5
499.19104	0.7
510.19028	2.6
511.19846	6.1
512.20190	0.7
515.19122	2.9
523.16260	0.9
528.16302	1.0
542.17651	1.2
555.19025	3.4
556.19482	2.5
557.20300	3.0
613.33344	0.6
616.21387	2.1
617.22437	0.8
643.23779	7.9
644.24915	8.8
645.24451	1.0
657.25507	7.1
675.26532	100.0
676.26556	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	674.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15643	2.5
55.01849	7.7
55.05502	100.0
57.03431	25.3
59.46443	2.8
61.02909	3.2
67.05490	82.4
69.07044	31.4
71.04966	3.2
75.44608	2.8
76.55930	2.9
79.05468	75.0
81.07038	89.5
82.82453	2.7
83.04963	6.8
83.08608	36.0
85.02888	3.9
90.00739	2.9
91.05457	23.9
93.07025	62.7
95.08582	57.3
97.10146	46.0
105.06992	20.0
107.08578	57.7
109.10137	27.1
117.06989	5.3
119.08549	16.0
121.10136	34.1
123.11723	6.8
125.09612	37.0
131.08524	12.8
133.10086	12.3
135.11667	21.6
139.11205	3.0
143.10675	4.7
145.10123	7.4
147.11665	7.9
149.13292	14.0
159.11630	7.2
161.13208	6.4
163.14806	5.0
170.02095	3.2
173.13167	5.9
202.65720	3.0
206.38480	3.3
215.12776	5.2
217.14320	89.5
219.71466	3.6
243.21123	14.7
259.69009	3.6
261.22092	38.6
335.25690	67.6
337.27255	5.2
342.29477	3.2
353.26807	13.5
403.31757	13.2
477.35651	71.9
495.37338	4.9
509.93549	3.5
577.94910	4.3
587.49182	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	674.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17628	1.0
54.40533	1.1
54.42509	1.1
54.81393	1.4
55.01860	1.5
55.05506	10.4
57.03427	17.2
58.45304	1.2
61.02905	5.0
63.16958	1.1
67.05150	1.8
67.05494	44.4
69.07054	100.0
73.06536	11.9
74.64135	1.1
74.78397	1.2
75.55421	1.1
79.05475	52.8
81.03393	3.0
81.06594	2.4
81.07034	39.2
83.08615	5.1
85.02883	5.1
88.86296	1.3
91.03947	1.3
91.05457	13.9
92.47822	1.2
93.07027	34.1
95.04907	2.5
95.08586	34.6
97.02890	1.3
97.06506	34.1
104.05068	1.2
105.07024	11.5
107.08576	16.7
109.06543	1.2
109.10147	10.5
115.07552	5.5
117.07001	4.8
119.08543	6.6
121.10123	13.4
123.11655	5.2
125.05943	9.9
129.04872	1.5
131.08540	8.3
133.10071	5.7
135.11671	7.9
143.07014	85.3
145.10078	5.3
147.11696	5.0
149.13271	5.9
159.11684	2.7
161.08026	15.4
161.13222	2.3
163.14813	2.3
173.13208	3.2
187.14774	1.9
199.09608	22.3
217.10686	72.0
243.21103	5.7
261.22043	18.5
335.25726	52.4
336.25961	2.0
353.26663	2.4
459.30881	5.2
477.32053	27.6
495.32901	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	674.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15643	2.5
55.01849	7.7
55.05502	100.0
57.03431	25.3
59.46443	2.8
61.02909	3.2
67.05490	82.4
69.07044	31.4
71.04966	3.2
75.44608	2.8
76.55930	2.9
79.05468	75.0
81.07038	89.5
82.82453	2.7
83.04963	6.8
83.08608	36.0
85.02888	3.9
90.00739	2.9
91.05457	23.9
93.07025	62.7
95.08582	57.3
97.10146	46.0
105.06992	20.0
107.08578	57.7
109.10137	27.1
117.06989	5.3
119.08549	16.0
121.10136	34.1
123.11723	6.8
125.09612	37.0
131.08524	12.8
133.10086	12.3
135.11667	21.6
139.11205	3.0
143.10675	4.7
145.10123	7.4
147.11665	7.9
149.13292	14.0
159.11630	7.2
161.13208	6.4
163.14806	5.0
170.02095	3.2
173.13167	5.9
202.65720	3.0
206.38480	3.3
215.12776	5.2
217.14320	89.5
219.71466	3.6
243.21123	14.7
259.69009	3.6
261.22092	38.6
335.25690	67.6
337.27255	5.2
342.29477	3.2
353.26807	13.5
403.31757	13.2
477.35651	71.9
495.37338	4.9
509.93549	3.5
577.94910	4.3
587.49182	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	674.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.4
53.03927	0.8
55.01860	3.4
55.05260	0.6
55.05499	9.1
56.05019	1.9
56.12848	0.3
57.03424	3.3
57.07042	0.5
58.99576	2.8
62.90038	0.3
65.03921	1.5
67.05138	0.8
67.05486	16.7
68.05018	0.6
69.03418	0.4
69.07049	7.5
71.04969	1.5
73.01109	0.7
74.00633	4.9
75.80943	0.3
76.02193	3.3
76.04001	0.4
79.05473	19.1
80.04971	3.1
81.03388	1.8
81.07033	39.0
82.06555	0.9
83.04974	2.5
83.06091	5.0
83.08600	5.8
84.04485	10.5
85.01117	2.1
85.06527	0.9
86.00632	2.5
86.99033	0.8
87.02679	0.5
88.02197	0.6
88.26775	0.4
91.05457	17.2
93.07020	21.1
94.06528	3.0
95.04941	4.7
95.08579	13.8
96.04477	0.6
96.08134	0.8
97.01091	3.5
97.06499	3.1
97.10120	0.7
98.00603	0.5
99.01389	8.4
99.01947	0.6
99.02657	1.7
99.05552	2.1
99.08076	0.9
100.02182	11.9
103.03925	0.4
103.05470	0.6
105.07006	16.8
106.06523	2.9
107.04912	4.3
107.06020	0.5
107.08575	11.4
108.08112	2.6
109.06486	9.7
109.07658	0.6
109.10139	4.9
110.06033	0.5
111.02656	1.7
111.08060	1.9
112.02171	13.9
112.03934	0.4
113.00724	0.4
113.01659	0.5
113.02936	3.8
113.04195	1.8
114.00054	0.4
114.03723	15.1
115.05795	0.8
116.01654	4.4
117.06992	4.7
118.06517	0.7
119.07274	0.5
119.08557	12.3
120.08081	2.2
121.06469	3.0
121.10110	6.6
122.09650	1.9
123.02655	2.0
123.08050	2.4
123.11691	1.8
124.02164	0.7
125.04157	2.8
125.07155	0.5
126.03709	6.7
127.02112	0.4
129.06509	5.8
130.04968	3.7
131.08530	8.0
132.08023	0.5
133.06493	0.6
133.10103	8.1
134.09624	0.9
135.02641	0.8
135.05522	0.5
135.08038	1.9
135.10530	0.5
135.11661	1.9
136.03929	1.7
137.04219	1.9
137.09593	0.7
138.03705	6.9
139.02234	0.6
139.03258	2.3
139.04446	0.3
139.05739	1.7
140.01617	0.5
140.05255	9.5
141.03795	0.4
141.04832	1.5
142.03192	0.8
142.06868	0.8
143.08504	2.7
144.01135	0.5
145.06076	1.7
145.10097	6.1
146.09570	0.6
147.08047	0.5
147.11659	8.8
148.11115	0.5
149.04231	0.9
149.09595	3.2
149.13196	2.9
150.03706	0.5
151.04622	0.5
151.05760	0.9
151.11203	0.8
152.05261	7.3
153.06560	1.9
154.06816	2.7
155.08389	0.5
157.10123	1.8
159.02107	0.6
159.07999	0.5
159.11668	3.2
161.09575	0.5
161.13239	1.9
162.02202	2.0
162.12769	0.4
163.05690	0.8
163.11177	3.3
163.14816	1.6
165.12761	1.9
166.06792	3.5
167.07623	0.5
168.08379	32.9
169.04292	0.8
169.06047	0.7
169.10049	0.7
170.02637	0.7
171.11693	1.7
173.09554	0.5
173.13251	6.1
174.12694	0.4
175.11169	0.5
179.04948	0.9
179.08910	0.7
180.08427	0.5
181.06085	2.5
183.11618	0.4
185.03773	9.0
185.13171	0.7
186.07674	0.5
187.05295	3.0
187.11160	1.6
187.14799	0.4
189.03151	0.5
189.12827	0.8
191.14308	2.5
193.06094	0.5
193.10464	0.6
193.12160	0.5
202.04051	2.7
208.17050	0.5
209.09171	0.5
215.04744	0.5
215.14273	0.5
216.05603	4.2
218.15385	0.7
219.17433	0.4
222.14938	0.4
231.04305	11.2
233.05791	3.1
236.14583	4.8
241.06384	2.4
247.20506	0.9
250.12729	0.5
255.07906	6.1
256.08691	0.5
256.13562	0.6
257.18896	1.3
263.13403	0.7
264.14099	19.5
264.16733	0.8
265.17880	0.5
269.09329	3.1
270.10254	9.9
271.11053	2.0
275.19971	7.3
281.14432	0.5
282.15115	7.8
296.18597	0.5
307.17026	1.2
308.09073	1.8
325.15744	0.7
332.20251	1.8
333.18686	1.5
338.17761	12.9
339.17429	1.8
349.23602	3.9
350.21280	0.9
355.18097	5.1
356.18811	30.6
385.17749	1.6
407.23322	0.7
424.25092	10.1
435.23093	0.9
442.26212	0.8
453.24130	1.6
458.20779	8.6
459.21283	0.6
477.28311	0.6
479.25674	0.9
507.25421	0.8
509.26712	7.5
527.27747	100.0
528.28406	1.7
581.28864	7.2
582.28485	2.2
599.29822	12.2
638.30933	6.8
656.31976	7.6
674.32935	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	673.339
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
55.05504	0.7
59.52335	0.6
67.05493	2.8
74.03886	0.7
81.07045	3.1
83.08585	0.9
91.05466	0.8
92.08724	0.8
95.08591	1.1
131.77249	0.8
147.03075	0.9
149.01271	1.7
154.90587	0.9
167.02315	1.0
184.14737	0.7
185.04158	0.7
345.15588	4.2
397.26257	0.8
511.28729	26.1
653.05408	0.8
673.33936	100.0
674.34058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.5
53.03931	1.1
53.95392	0.4
55.05500	7.8
57.03428	10.8
57.07055	1.1
61.02911	3.9
65.03908	0.5
67.05492	35.3
69.07056	7.7
69.13689	0.4
71.04992	0.5
71.08618	0.8
71.58270	0.4
73.02880	0.7
79.05476	14.4
81.03406	0.9
81.07041	22.0
83.08591	3.3
83.51580	0.4
85.02889	3.1
85.06525	0.7
89.43218	0.5
91.03918	0.6
91.05466	6.9
93.07021	18.5
95.04938	0.7
95.08586	100.0
96.08909	0.9
97.02887	0.7
97.06501	3.4
97.10170	1.0
98.98471	0.7
105.06997	5.8
107.08578	8.8
109.10148	7.2
117.06945	1.9
119.08550	3.9
121.10124	7.3
123.08042	3.3
123.11721	0.8
131.08543	3.1
133.10110	3.3
135.08107	0.5
135.11646	5.3
141.09100	2.0
145.10124	3.5
147.11710	1.1
149.13220	2.8
159.10165	8.3
159.11685	2.3
161.13280	0.9
163.14854	1.1
173.13235	2.0
187.14847	0.8
191.28920	0.5
200.90398	0.4
201.16335	0.5
201.19885	0.5
213.11293	1.0
215.12764	33.0
216.13171	0.5
233.22633	0.5
241.14539	0.7
241.33946	0.6
243.20985	1.2
261.22037	6.8
317.24979	0.7
333.24304	0.6
335.25735	28.4
367.35791	0.6
466.32776	0.7
467.37109	2.9
475.34131	15.4
493.34933	1.8
587.95355	0.7
672.41589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22710	2.1
53.03926	3.3
53.90654	2.0
55.05507	35.9
57.03414	10.1
57.07071	36.3
61.02905	2.1
67.05494	41.8
68.49163	2.2
69.07047	4.8
71.04975	4.6
71.08573	2.9
79.05474	13.9
81.07042	26.8
81.99383	2.0
83.04969	100.0
83.08610	3.8
85.02918	2.0
86.67529	2.0
91.05473	19.1
93.07022	16.6
95.04955	2.6
95.08590	48.9
98.98454	5.0
105.06992	12.1
107.08594	9.8
109.10139	35.5
119.08546	4.2
121.10127	4.4
123.08041	1.8
128.06215	7.5
129.07021	14.8
135.11580	3.2
147.08020	10.3
147.11673	20.0
151.01489	3.6
157.07614	4.0
162.52762	2.1
173.11691	4.0
175.00168	3.5
175.01540	49.4
181.02579	83.7
187.01526	2.3
215.12787	15.3
227.04604	30.0
229.14374	18.0
231.07761	2.8
246.24368	2.4
247.20544	2.3
257.05673	12.4
277.88153	2.2
283.10828	11.2
288.35733	2.2
313.11963	67.4
321.24207	9.1
335.25760	12.7
351.16660	2.2
369.18372	16.0
467.37091	4.0
475.34189	17.7
487.12735	3.8
539.38824	4.2
543.19025	22.9
599.25214	71.6
655.31519	91.9
671.40747	9.8
672.41406	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	672.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64474	0.8
53.03927	1.6
55.05508	10.0
57.03434	9.8
57.07065	1.9
61.02916	3.5
63.11206	0.6
65.03931	0.8
67.05492	38.0
69.07056	12.7
70.38484	0.9
71.08614	1.7
79.05470	16.1
79.42172	0.7
81.07042	20.4
83.04972	1.0
83.08596	3.7
85.02890	1.6
91.05464	8.9
93.07021	17.0
95.04941	4.3
95.08585	100.0
97.02893	1.3
97.06510	1.9
97.10136	1.0
99.08100	1.1
105.03374	19.1
105.07021	5.6
107.08577	10.2
109.10143	11.2
117.07018	1.1
119.08571	3.6
121.10095	7.1
123.08045	1.5
123.11685	2.0
124.55742	0.9
131.08531	4.4
133.10127	4.0
135.11690	4.2
141.09135	1.6
145.10123	4.6
147.11668	1.5
149.02380	1.3
149.05968	20.0
149.13237	1.9
150.06296	1.0
159.10136	9.0
159.11523	1.7
161.13239	1.6
173.13235	1.7
193.04915	1.1
210.99428	0.8
215.12759	26.4
215.14629	1.4
236.63432	0.8
243.20967	1.0
261.22028	5.5
271.21277	0.9
273.25247	0.8
335.25748	26.4
341.10367	1.5
378.51953	0.9
392.45398	0.9
467.37186	4.1
475.34097	21.6
493.34811	1.4
533.14008	3.7
539.38684	1.3
671.41748	1.4
672.41095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27334	0.8
54.35958	0.9
55.05500	1.9
57.03428	0.9
67.05497	2.7
69.07066	1.5
70.00857	1.0
72.84347	1.0
75.17618	1.0
79.05487	4.8
80.51081	0.9
81.07053	5.3
91.05468	2.4
93.07031	4.6
95.04972	1.3
104.91481	1.1
105.07009	2.6
107.08572	1.5
119.08574	1.7
121.10174	1.6
244.44524	1.0
261.96332	1.3
268.06473	1.3
305.17096	8.2
333.20444	2.7
357.34970	1.3
361.19894	5.0
389.23477	2.1
671.41229	100.0
672.41791	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02863	0.8
55.05500	3.8
64.11998	0.7
67.05492	4.6
69.07041	1.4
71.06403	0.9
79.05474	3.6
79.37910	0.9
81.07055	4.3
81.10320	0.8
83.04939	1.1
83.08625	2.0
91.05431	1.6
92.08624	2.4
93.07046	4.4
95.08591	1.9
97.10121	0.9
105.07036	1.3
107.08591	1.7
109.10142	1.8
119.08564	1.0
147.11717	1.1
240.17378	0.9
248.64131	0.9
305.17419	1.7
313.11880	1.1
333.20224	9.5
344.54584	1.0
348.29745	1.0
361.19928	1.7
389.22919	3.6
454.81769	1.0
671.41235	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	672.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46280	0.3
53.11127	0.3
57.03414	0.7
61.02893	0.6
61.94484	0.3
69.03400	1.9
69.86327	0.3
71.04975	0.5
71.21495	0.3
80.60281	0.3
81.03380	0.8
85.02892	7.1
91.05473	1.5
94.81305	0.4
97.02884	2.7
107.04939	5.1
114.50998	0.4
115.05450	0.6
117.06988	0.5
121.06526	0.7
127.03854	0.7
128.06192	1.7
129.06976	9.0
131.04884	1.8
131.08546	12.3
133.06494	0.5
137.05957	4.4
141.06975	7.5
143.08527	0.8
144.05682	1.5
145.04909	0.4
145.06445	3.1
147.04387	0.6
153.06877	0.5
157.06470	8.0
158.07230	3.3
159.08018	20.6
160.05177	1.5
161.09622	2.6
163.07558	1.7
169.06439	3.9
169.07689	0.7
170.07198	1.6
171.08011	4.9
174.06723	17.0
175.07472	4.2
177.09132	0.4
181.14105	0.4
183.08006	0.4
186.06735	3.9
188.08318	0.9
189.09071	45.4
191.10634	2.4
201.09068	13.5
207.10083	0.6
219.10130	100.0
220.10512	1.4
235.10947	0.4
237.11140	2.0
245.78172	0.4
295.13174	0.4
393.78345	0.4
648.72009	0.4
657.82886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14891	1.3
52.02768	1.3
53.03929	1.6
55.01858	3.4
55.05481	1.3
57.03421	8.5
61.02929	2.1
67.05503	2.4
69.03416	12.8
70.06595	1.7
73.02894	13.5
79.05470	2.3
81.03391	5.7
83.04957	2.0
83.63334	1.4
85.02899	21.0
85.10194	1.6
87.04463	2.1
91.05474	14.5
91.32619	1.2
92.08711	3.5
93.07063	3.3
95.04926	3.3
97.02877	11.7
98.99808	1.5
99.04473	1.6
103.05443	7.5
104.33208	1.6
105.07038	8.5
107.04942	33.4
109.02889	1.8
109.06519	3.5
111.04425	2.1
115.05449	6.2
117.06989	2.4
119.04921	17.4
121.02783	2.0
121.06481	23.0
122.88754	1.6
123.08084	1.9
127.03908	8.7
129.06995	11.1
131.04900	18.9
131.08546	2.7
133.06476	30.3
135.08035	6.5
137.05954	90.7
138.06403	1.9
143.04871	2.2
145.04945	1.7
145.06442	5.8
147.04465	2.5
149.05986	12.1
150.05470	2.3
151.03975	3.0
151.06302	3.1
151.07518	73.5
157.06497	12.3
161.05908	17.9
161.09581	2.4
163.07500	26.8
165.06975	2.3
165.09093	2.2
167.08517	12.1
174.06683	3.7
175.07523	12.7
177.05423	3.6
177.09050	62.2
177.10597	2.9
179.07091	2.3
179.08583	2.4
183.07932	3.1
189.09076	26.5
191.06902	2.1
191.10635	2.2
193.06572	3.3
193.08444	1.8
193.10110	3.0
194.39079	1.6
195.08038	19.7
195.10031	2.9
197.09581	15.6
203.06897	2.6
203.08646	1.9
207.08087	1.6
207.10176	3.7
210.06758	2.1
212.08243	1.8
215.07037	3.2
221.05966	3.3
221.09747	5.4
221.11722	10.8
223.07574	13.7
223.11046	4.9
225.05424	1.8
225.09073	16.4
227.10567	23.1
229.08572	2.9
237.09135	7.7
239.06934	2.1
241.08580	2.0
242.09552	1.8
249.08954	2.1
251.10674	2.5
253.08585	7.1
253.12178	10.0
255.10149	28.2
257.11597	20.9
267.10062	9.6
269.08139	3.1
269.11462	3.3
272.10410	2.5
281.11548	2.8
283.13220	9.6
285.11139	11.6
287.12732	34.3
299.12674	6.4
301.14301	43.0
305.11127	2.0
311.12640	2.9
313.14346	23.8
331.15338	100.0
343.15405	6.9
409.16910	2.8
427.17508	3.4
443.18826	2.3
448.26593	1.7
487.41226	2.1
654.27808	2.5
672.27960	6.7
685.94983	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66866	2.2
53.26144	2.4
55.05508	35.8
57.03432	15.8
57.07067	27.2
61.02917	52.6
67.05492	55.1
69.03423	4.5
69.07057	59.6
71.04976	4.1
71.08621	12.1
72.85059	2.5
73.02900	18.9
79.05479	35.3
81.07037	70.2
81.07473	3.6
83.08604	64.9
85.02898	48.5
85.06522	3.5
85.10228	3.2
88.40278	2.5
90.74371	2.5
91.03941	44.1
92.08685	3.2
93.07029	47.6
95.08588	56.7
97.02870	23.9
97.06508	21.8
97.10133	32.6
99.08102	4.2
107.08578	31.7
109.10175	19.8
111.08096	11.1
111.11690	3.8
119.08635	4.0
121.10117	79.6
123.11668	19.0
125.09576	3.8
127.03921	16.4
135.11668	51.2
137.13258	15.0
139.11229	3.1
145.04979	11.9
149.13258	23.1
163.05986	18.9
163.14810	11.7
164.05760	2.8
214.56221	3.3
219.21031	51.3
233.72038	2.8
237.22116	84.1
255.23077	22.7
292.43924	2.8
311.25775	71.7
329.26813	100.0
471.60193	3.8
495.02353	2.9
655.41437	3.1
670.62512	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83164	0.9
55.05507	40.2
57.03434	13.5
57.04598	0.9
57.07068	31.8
61.02915	36.2
67.05494	17.8
69.03403	6.0
69.07058	73.2
69.57170	0.9
71.04967	2.1
71.08615	18.7
73.02904	11.6
75.04457	2.5
75.57584	1.0
79.05469	12.9
81.03392	2.4
81.07042	27.0
83.08607	58.4
85.02895	32.3
85.10165	8.4
85.15675	1.2
91.03933	26.5
91.05494	1.3
93.07027	18.5
95.04993	1.3
95.08582	19.2
97.02877	14.9
97.06540	11.5
97.10150	49.1
99.04424	2.1
107.08590	15.9
107.29504	1.1
109.02872	1.2
109.10120	8.7
111.08055	7.7
111.11713	20.5
114.36644	1.3
121.10117	23.7
123.11675	5.9
125.09604	2.6
125.13168	1.8
127.03883	6.7
135.11668	22.2
135.42711	1.1
137.06302	1.5
137.13268	4.5
139.11163	4.7
145.04951	6.1
149.13235	11.6
153.12756	1.3
157.56497	1.2
163.05956	10.5
163.14781	6.3
167.14272	2.2
171.73956	1.2
177.16245	1.6
181.15810	1.7
194.89600	1.2
195.72375	1.2
219.21054	23.1
237.22122	31.2
252.74040	1.1
255.23158	26.8
311.25754	100.0
329.26807	40.8
473.30826	10.3
536.37848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75100	0.8
53.84267	0.7
56.64851	0.7
58.43612	0.7
67.05513	1.0
72.75988	0.9
81.07057	1.0
87.22790	1.1
101.56744	0.9
113.39235	0.9
124.38293	0.8
135.15254	0.9
148.85420	0.9
361.20181	1.0
376.47299	1.0
459.04877	1.0
509.27139	20.2
671.32330	100.0
672.32703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82239	0.4
55.01840	0.4
55.05501	2.0
57.07065	0.5
59.73827	0.4
60.60747	0.4
64.96193	0.5
67.05496	4.8
69.07047	3.5
79.05484	3.1
81.07033	7.4
83.04970	2.0
83.08595	0.6
84.22050	0.5
91.05464	2.7
92.08566	0.7
93.07018	3.6
95.04951	0.9
95.08595	2.6
97.06543	0.7
99.31003	0.4
105.07014	0.8
107.08556	0.7
109.06500	0.6
109.10143	0.8
119.08546	0.9
121.06435	0.4
121.10167	1.8
123.08016	0.6
127.04425	0.5
131.08563	0.7
133.10162	0.5
135.11592	0.4
147.04411	0.6
153.25580	0.5
176.08913	0.4
190.90436	0.4
305.17218	8.4
333.20255	7.3
361.19855	4.4
389.22931	2.6
489.14603	0.5
523.69110	0.6
543.33270	0.8
565.78876	0.5
599.25610	0.6
671.41162	100.0
672.41516	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78787	1.5
51.13878	1.4
52.75660	1.7
53.03928	2.5
55.05500	45.1
55.53659	1.3
57.03433	17.6
57.07066	25.4
61.02916	57.9
67.05139	3.2
67.05491	63.4
68.85849	1.3
69.03422	2.6
69.07054	70.1
70.74413	1.2
70.85483	1.3
71.04987	3.2
71.08633	14.2
71.16618	1.5
73.02895	22.6
75.04467	2.1
78.69186	1.4
79.05474	32.9
81.03415	1.8
81.07038	87.7
83.05009	2.2
83.08602	72.8
85.02898	58.5
85.10168	3.8
91.03933	40.6
93.07024	53.9
95.08012	3.5
95.08587	63.1
97.02869	25.6
97.06520	18.4
97.10143	34.3
99.04462	1.6
100.22558	1.6
106.16179	1.4
107.08578	41.7
109.10151	24.6
111.08051	15.2
111.11720	6.5
115.03922	1.7
121.10123	86.2
123.11687	21.0
125.09625	8.8
127.03905	11.2
135.11667	67.9
137.13243	14.8
139.11176	7.6
145.04939	12.7
149.13248	24.4
151.14809	2.7
153.12750	2.6
163.05971	20.4
163.14749	13.8
167.14314	2.1
177.16376	2.7
213.56958	1.5
219.21042	60.2
235.44394	1.7
237.22084	82.2
255.23080	21.5
283.13452	1.6
311.22803	2.1
311.25745	87.0
329.26822	100.0
357.20068	8.5
358.20303	2.7
473.30942	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81741	2.6
55.05503	38.1
57.03424	15.2
57.07065	25.7
58.09061	2.4
61.02913	54.8
64.33309	2.9
67.05489	73.3
69.03410	3.6
69.07050	70.7
71.04985	3.1
71.08617	15.6
73.02888	24.0
79.05476	37.9
81.03386	4.0
81.07035	90.0
83.08603	66.3
85.02903	46.7
85.06551	3.3
91.03936	44.8
93.07014	49.2
95.04932	3.2
95.08576	55.9
97.02854	29.0
97.06511	21.1
97.10150	35.2
107.08561	34.2
109.10159	25.8
111.08075	17.9
111.11652	3.7
121.10107	80.9
123.11705	21.1
125.09590	6.9
127.03819	7.7
127.26872	2.7
134.81059	2.5
135.11673	53.6
137.13254	12.8
145.04993	12.4
149.13214	22.2
152.19333	2.6
163.06041	11.0
163.14845	4.1
167.14149	2.8
173.13701	2.6
203.48674	2.9
219.21024	52.3
220.97025	2.9
237.22105	77.0
255.23117	26.3
294.09146	3.1
311.25732	58.9
329.26813	100.0
346.24805	3.6
641.13782	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	670.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
54.32645	0.3
55.01853	1.5
57.03420	1.5
59.59526	0.3
61.02906	0.9
67.05512	0.4
69.03409	2.6
71.01333	0.4
71.08588	0.3
73.02886	1.4
79.05469	2.1
81.03400	1.3
81.07026	0.6
85.02419	0.5
85.02893	7.1
85.75059	0.4
91.05444	2.4
94.04149	2.2
95.04928	0.8
97.02865	2.2
97.15681	0.3
97.71616	0.4
103.03928	1.5
103.05437	1.4
105.07016	1.4
107.04940	2.7
109.02854	0.5
109.06509	1.5
111.04453	0.7
115.05441	0.5
119.04932	1.9
121.06440	0.4
122.03625	6.6
122.15307	0.3
123.04416	1.3
126.49997	0.4
127.03934	0.4
128.06227	0.4
129.06964	0.6
131.04924	3.0
133.06497	0.4
135.04422	0.6
137.05956	100.0
138.06308	0.5
141.06989	0.6
144.05684	0.4
145.04922	0.6
145.06439	0.8
146.03477	0.4
147.04390	2.1
149.05942	2.1
150.06857	0.3
151.03871	1.8
151.07526	5.6
152.06219	0.4
153.05513	0.5
153.06918	0.8
155.08516	0.4
157.06400	1.3
159.08047	1.4
161.05959	4.4
162.06619	0.4
163.07533	2.7
165.06973	1.7
167.04845	0.6
167.07079	0.7
167.08536	0.7
168.05653	0.5
169.06479	1.5
171.08044	0.5
172.05164	0.5
175.07503	4.0
179.06978	0.7
179.08481	1.3
181.06444	3.9
182.07181	0.7
183.08023	0.8
184.05188	1.9
185.06039	0.4
187.07504	7.9
189.06996	0.4
189.09082	0.6
190.07698	0.5
191.06998	0.6
191.08528	0.6
193.06413	1.5
194.07248	0.3
195.07999	1.9
196.05170	2.3
197.05930	1.8
197.09602	0.6
198.06714	1.3
199.07510	16.0
201.09113	1.8
202.07779	0.7
203.06900	0.8
203.08548	2.3
205.06464	1.8
206.07211	0.6
207.08083	0.5
209.09625	0.5
210.06712	1.8
211.07512	15.1
212.08127	0.4
213.09088	3.1
215.06862	1.3
215.08696	0.5
217.06534	0.4
217.08350	0.5
219.08057	2.2
220.08817	0.5
221.06029	0.7
222.06654	1.8
223.07504	3.4
224.08199	0.5
225.09048	4.2
227.06871	3.2
229.08578	1.8
230.07259	0.5
231.08086	3.5
232.08728	0.5
233.05940	1.3
234.06775	0.8
235.07420	0.8
237.09052	4.6
239.06860	0.8
241.08308	3.2
243.07959	1.3
244.08827	0.5
245.09549	2.2
246.06822	0.5
247.07401	1.7
248.08176	0.7
249.09081	2.4
250.06194	0.6
251.06905	0.6
251.10675	2.6
252.07439	0.5
253.08482	4.0
255.07982	3.5
255.10258	0.6
256.08728	1.4
257.09650	0.8
259.07446	1.6
260.08307	0.6
261.09000	1.6
263.10669	1.7
264.07846	0.6
265.08548	5.4
267.10138	1.6
268.08835	0.7
269.09912	0.6
271.07376	1.9
271.09656	1.8
272.08295	2.2
273.08948	2.3
275.06894	0.4
276.07779	0.5
277.08569	3.3
279.10117	2.0
283.07394	1.9
283.09900	1.5
284.08139	3.2
285.08807	2.6
286.09888	1.5
287.07159	0.6
287.10571	2.4
288.07834	1.8
289.08545	2.3
290.09238	0.7
291.06982	0.5
291.10059	3.0
293.11752	0.6
297.09021	1.8
298.09735	0.8
299.10504	1.4
300.07803	1.7
301.08444	1.6
301.11948	1.6
302.09265	0.7
303.10141	4.0
305.11633	1.3
309.11124	2.0
311.13049	2.6
312.07794	2.2
313.08316	1.3
314.09329	1.8
315.10065	8.3
316.10742	0.8
317.08127	0.5
317.11755	1.6
321.11160	2.6
323.12994	2.4
326.09177	0.5
327.10004	4.6
328.10980	0.7
329.08002	0.6
329.11554	4.0
330.08853	0.6
331.09579	0.5
332.10364	0.8
333.11075	6.3
335.12549	4.7
341.11655	2.0
342.08716	0.5
343.09671	0.5
344.10406	1.9
345.11319	4.0
347.12653	8.9
353.13531	0.5
357.11072	1.6
359.12698	8.5
361.14279	2.0
363.12085	0.5
365.13824	0.5
371.13110	0.5
373.14145	2.1
377.13748	1.7
389.13922	3.3
393.13217	5.0
401.13776	3.0
407.14795	5.2
419.14957	3.6
425.15817	2.2
437.15860	2.3
443.16885	10.9
455.16986	3.2
461.17590	0.6
473.17963	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	669.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22023	1.4
56.84384	1.4
57.03406	1.6
57.07063	2.2
61.02919	4.4
65.03957	1.7
67.05481	4.6
69.07043	1.8
70.69255	1.8
71.08605	2.2
73.02895	2.0
81.03384	3.0
81.07029	3.8
82.71809	1.6
85.02908	2.3
88.69978	1.9
95.08585	3.3
97.02900	1.9
109.10144	12.4
119.21205	2.0
126.39239	1.8
127.03985	1.8
134.85034	1.6
153.46582	1.6
165.16191	1.8
278.23267	2.0
413.17798	17.4
466.06992	2.0
497.30569	3.4
669.41730	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	670.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01402	0.2
53.03939	0.5
53.51877	0.2
54.81207	0.2
55.01859	1.7
57.03421	1.4
57.14222	0.2
61.02906	1.6
62.52583	0.2
65.03917	0.4
67.32653	0.3
69.03408	2.9
71.04950	0.3
73.02886	1.1
77.03938	0.3
79.05458	1.5
80.05368	0.2
81.03387	1.7
81.07018	0.4
83.04946	0.3
85.02887	8.5
91.05463	2.6
94.04169	1.7
95.04938	0.6
97.02876	3.0
99.04411	0.6
103.03914	1.3
103.05447	1.7
105.07002	1.4
107.04939	23.8
109.02837	0.5
109.06504	1.5
111.04430	1.5
115.05444	1.2
117.06992	1.7
119.04909	2.4
119.08587	0.3
121.06459	1.3
121.38145	0.3
122.03631	5.4
123.04412	1.4
125.05986	1.0
127.03885	1.4
128.06178	0.4
129.06941	2.2
130.17317	0.3
131.04892	3.1
131.08548	1.1
133.06476	2.2
135.04404	1.3
137.05959	100.0
139.05540	0.3
141.06978	1.5
143.04913	1.8
144.05713	2.2
145.04948	0.9
145.06476	5.5
146.03593	0.4
147.04376	1.5
147.08023	1.4
149.05965	1.2
151.03864	2.1
151.07536	7.0
153.05452	1.4
153.06892	0.6
157.06474	4.0
159.08017	2.9
160.05128	1.8
161.05968	4.8
161.09578	0.4
163.07529	2.9
165.06958	1.3
166.71019	0.3
167.04915	0.6
167.07062	1.0
167.08502	0.4
168.05663	0.6
169.06467	1.7
171.08072	1.4
172.05229	1.2
173.05945	0.6
174.06700	0.5
175.07523	11.7
177.05443	0.4
177.09122	0.5
178.07658	0.3
179.07039	0.5
179.08643	0.4
180.08688	0.3
181.06436	3.5
182.07304	0.5
183.08078	1.2
184.05206	1.8
185.05930	1.2
186.06703	0.3
187.07503	11.5
189.07007	0.3
189.09082	2.8
191.07010	0.5
191.08531	0.5
193.06476	1.2
194.07220	0.4
195.08015	1.7
196.05193	1.6
197.05949	2.0
197.09575	0.6
198.06703	0.4
199.05666	0.5
199.07509	14.8
201.09146	1.1
202.07777	0.5
203.06912	1.0
203.08556	2.7
205.06467	1.3
205.08588	2.6
205.10222	0.4
206.07207	0.5
207.08084	0.3
209.05995	1.0
209.09608	0.6
210.06763	2.2
211.07515	13.4
213.09093	2.4
215.06955	1.3
215.08734	0.5
217.06525	0.5
217.08565	1.7
218.07237	0.5
219.08054	1.7
221.05933	1.8
221.09540	1.5
222.06662	0.5
223.07487	2.7
224.08127	0.4
225.09082	3.4
227.06871	2.2
228.07951	0.3
229.08397	2.7
231.08008	3.3
233.05969	0.4
233.09668	1.2
234.06703	1.7
235.07448	1.2
235.09665	2.2
236.08160	0.6
237.09065	2.5
238.06197	0.5
239.06970	1.2
240.07745	1.1
241.08330	3.2
243.07887	0.6
244.08934	0.4
245.09723	0.4
246.06779	0.4
247.07507	1.6
249.09047	3.4
251.06889	0.9
251.10640	1.9
252.07507	0.4
253.08449	2.9
255.08102	2.9
256.08743	1.1
257.09753	0.5
259.07535	1.5
259.10953	0.3
260.08276	0.5
261.09045	3.3
262.06149	0.5
263.06995	0.4
263.10553	1.7
264.07858	0.5
265.08456	3.3
266.09454	0.5
267.07681	0.4
267.10217	1.8
269.07797	0.5
269.09784	0.4
270.10361	0.3
271.07236	1.0
271.09619	1.3
272.08194	1.0
273.08923	0.6
275.07303	0.3
275.10678	1.0
276.07971	0.3
277.08551	3.4
278.09308	0.5
279.10236	2.1
281.08777	0.4
281.11752	2.3
283.07138	0.9
283.09744	1.4
284.08002	2.2
285.08881	1.3
285.11563	0.5
286.09839	0.5
287.07193	0.5
287.10623	1.4
288.07959	0.6
289.08453	1.8
290.09290	0.4
291.09979	2.5
293.08459	0.4
293.11380	1.9
294.08841	0.5
296.10608	0.3
297.08908	1.2
298.09793	0.6
299.07300	0.4
299.10541	1.3
300.07828	1.2
301.08347	0.9
301.11896	0.5
302.09210	0.4
303.10229	3.6
303.13504	0.5
305.08221	0.4
305.11588	1.0
308.10446	0.3
309.11353	2.0
311.12756	7.7
312.07672	0.5
313.08200	0.5
314.09286	1.2
315.10150	5.6
316.10889	0.5
317.08237	0.5
317.11728	1.0
318.08789	0.4
321.11102	2.2
323.12653	2.6
325.08502	0.3
325.14200	0.7
327.10049	2.6
329.08002	0.5
329.11539	2.4
330.08459	0.4
330.12460	0.3
331.09537	0.4
332.10181	0.5
333.11221	3.8
335.12723	4.5
341.11490	0.6
343.09534	0.5
344.10397	1.0
345.11102	2.8
347.12720	5.2
353.13821	1.2
357.11151	1.4
359.12628	5.2
361.14371	1.4
365.13818	1.0
371.12463	0.6
373.14380	0.7
375.12326	0.4
377.13824	1.4
389.13739	2.8
393.13132	3.6
401.13654	1.4
407.14844	6.1
419.14816	4.3
425.15771	1.8
437.15918	2.0
443.16907	12.0
455.16678	1.6
461.17899	1.1
473.17996	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	669.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01859	3.7
57.21225	0.4
62.90854	0.5
65.03901	0.5
67.05483	3.1
70.06590	0.7
79.05469	3.5
80.04982	1.0
81.03385	1.4
82.06548	0.5
82.69311	0.5
83.04929	0.8
84.04467	0.8
85.02907	1.3
85.87524	0.6
91.05423	0.7
92.09270	1.4
93.05759	3.0
94.06540	9.5
95.04969	2.1
96.04496	1.1
96.08100	3.1
97.02845	1.0
102.26989	0.5
104.04935	0.7
106.06523	3.9
107.04957	4.2
108.04456	2.2
108.08094	2.7
109.02840	0.6
110.06034	3.7
117.87479	0.5
117.98414	0.5
120.08047	0.9
121.02805	1.3
122.06010	11.7
123.04356	0.8
123.06788	2.2
124.03973	0.9
124.07574	10.9
126.05446	0.8
127.03918	0.7
131.04889	0.7
132.04471	0.7
134.05968	5.9
136.03934	5.2
137.05956	2.4
138.09134	10.9
140.07085	0.7
145.02785	0.9
147.04393	1.3
147.09109	0.9
148.07552	1.0
149.07040	0.8
150.05475	27.5
151.03874	2.9
152.04271	0.6
152.07034	16.5
158.05969	1.4
160.03864	0.9
160.07658	0.9
162.05379	0.7
164.10728	0.7
171.75336	0.6
172.07545	3.7
174.05432	0.9
174.09142	4.6
175.08629	7.0
176.07042	1.0
176.09416	1.0
177.05263	0.8
177.06607	3.7
178.04953	20.1
186.05498	2.3
187.08655	0.7
189.10255	5.4
191.08159	5.1
192.06544	2.2
196.06006	9.9
200.07063	4.5
201.06534	1.0
201.10104	1.2
201.13892	0.6
202.07008	0.7
202.08615	3.8
203.08119	74.5
204.06534	33.7
204.08157	0.6
205.09761	1.2
213.10265	2.7
215.08112	1.1
215.11646	1.1
217.09692	32.9
218.08122	3.2
218.10051	0.6
227.08078	2.1
228.06526	1.3
229.06081	7.5
229.09741	0.8
229.13206	1.1
230.08238	1.1
231.07559	0.9
231.11191	5.1
233.09254	1.4
234.09862	6.2
235.10718	21.7
241.09666	1.4
242.99382	0.6
243.07600	3.2
243.11185	2.2
243.14975	0.8
245.09160	67.2
245.13046	2.4
246.07555	8.2
246.13567	0.9
247.10638	3.3
247.14484	0.9
257.12833	4.1
259.10727	6.1
259.14328	8.0
261.08667	0.9
261.12274	5.9
263.10211	75.2
269.09167	2.3
271.07150	5.2
271.09982	0.7
274.13016	11.7
275.13837	38.1
285.12244	1.2
287.10202	22.5
289.08258	1.0
289.11731	3.8
301.11740	3.0
305.11261	100.0
307.12854	4.8
319.12735	0.7
338.15616	0.7
339.16965	2.2
380.19821	5.4
381.17728	1.0
382.21024	5.2
398.20575	7.7
406.17468	0.9
408.19269	6.7
424.18576	1.4
426.20145	53.5
430.15802	1.3
434.16959	0.6
444.15442	1.1
444.21201	21.3
446.15564	0.9
452.18015	5.6
456.21222	3.0
470.19321	6.8
500.16147	0.9
603.24463	7.4
621.25433	26.2
622.26404	0.8
639.26343	14.5
651.26221	2.4
669.27496	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	668.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.6
53.03931	1.2
55.01851	1.1
55.05505	17.0
55.19572	0.6
57.03425	9.4
57.07063	16.6
61.02913	42.9
65.03912	0.8
67.05491	81.4
69.03423	5.0
69.07053	22.0
71.04977	3.4
71.08608	4.2
73.02898	13.1
74.97055	0.7
79.05473	22.7
81.03401	2.4
81.07035	100.0
83.04956	1.5
83.08605	13.6
85.02887	39.6
85.06528	5.0
85.10165	3.6
90.15893	0.6
91.03931	32.0
91.05456	22.7
93.07023	30.0
93.07462	0.6
95.04935	1.2
95.08582	80.1
97.02866	16.5
97.06519	8.1
97.10147	6.6
99.04438	1.4
99.08076	7.4
105.07000	15.5
107.08582	17.1
109.06539	1.2
109.10144	33.1
111.08086	4.7
111.11667	0.9
113.09628	4.7
115.03869	1.3
119.08552	19.1
121.10118	22.2
123.08066	1.6
123.11684	16.2
125.09633	1.6
127.03887	9.8
127.11185	3.5
133.10103	25.8
135.11667	22.4
137.09589	2.6
137.13239	14.4
138.39073	0.6
139.11119	1.6
145.04919	12.2
147.11671	16.9
147.12776	1.3
149.13214	7.3
151.11134	1.4
151.14816	11.4
153.12708	2.6
161.13220	16.2
163.05969	14.8
175.14783	7.4
179.14189	0.8
189.16376	1.3
200.59077	0.7
203.57642	0.8
217.19482	61.9
223.56932	0.8
235.20517	84.9
236.20795	1.6
253.21516	2.6
309.20663	1.3
309.24179	20.3
327.25220	11.6
355.18680	4.9
356.18890	3.6
357.19968	1.0
361.10843	0.7
684.92664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.3
53.34986	0.6
54.81758	0.9
54.82948	0.8
55.01877	3.2
55.05510	1.1
62.03230	0.8
67.05499	1.8
70.06567	1.0
76.20213	0.8
79.05482	5.8
80.05003	1.7
81.03407	1.6
83.04990	1.0
85.02895	3.9
86.59208	0.8
91.05477	1.5
93.05775	1.7
93.07005	1.1
94.06547	7.5
95.04940	1.8
96.04457	0.8
96.08116	1.2
96.48840	0.9
101.06013	1.8
105.07014	1.7
106.06555	4.2
107.04932	3.7
108.04472	3.8
108.08119	1.9
109.02863	1.8
110.06038	2.0
114.08372	0.9
119.08562	1.7
121.02850	11.2
122.06026	9.6
123.06790	1.5
124.07587	8.2
127.03912	1.8
134.05991	4.7
136.03925	5.8
137.05965	5.1
138.09090	11.1
145.10117	1.0
145.54041	1.1
147.04413	1.3
147.11690	1.4
150.05501	28.2
152.07034	13.3
160.03925	1.6
164.06987	1.2
172.07549	3.8
173.07182	1.1
174.05501	1.0
174.09102	2.1
175.08647	6.2
176.07159	0.9
177.06610	1.9
178.04944	19.5
186.05516	1.6
188.07098	1.0
189.10240	5.0
191.08127	5.3
192.06601	1.3
196.06044	7.8
200.07072	4.5
202.07114	1.5
202.08675	4.0
203.08131	71.6
204.06554	30.5
205.09718	1.6
213.10153	1.3
215.08179	1.5
215.11855	2.1
217.09673	27.4
218.08041	4.0
227.08141	1.6
228.06627	1.7
229.06067	8.3
230.08258	1.7
231.11269	3.0
233.09312	1.4
234.09915	3.7
235.10677	11.7
241.09673	3.4
241.13327	1.2
243.07687	1.7
243.11336	1.7
245.09184	56.7
246.07452	7.0
247.10728	3.0
248.09085	1.5
257.12787	4.4
259.10800	5.3
259.14301	7.5
261.08899	1.0
261.12332	4.5
263.10208	64.5
269.09219	1.8
270.43073	1.0
271.07150	5.6
274.13077	9.6
275.13831	26.9
279.14746	1.2
285.12277	16.1
287.10187	23.3
289.11890	4.4
301.11920	1.1
305.11273	100.0
307.12943	3.5
315.09711	1.6
338.26950	1.0
339.16940	1.5
348.27060	0.9
373.09412	2.0
378.18225	1.0
380.19632	4.5
381.17902	1.3
382.21249	3.6
391.10306	1.0
398.20908	7.2
406.17737	3.4
408.19061	8.7
424.18344	1.9
426.20160	46.6
444.21182	26.8
445.11203	1.6
452.18259	6.1
456.21017	1.3
470.19025	6.2
482.19489	9.8
595.24695	1.3
603.24542	6.7
621.25507	19.0
639.26514	14.3
651.26361	1.4
669.25720	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	666.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.2
55.05497	0.3
57.07061	5.3
62.06081	0.4
63.59534	0.2
70.06201	0.3
70.06573	8.5
71.08266	0.2
71.08609	2.8
76.23082	0.2
77.18497	0.2
78.19223	0.2
79.05464	0.3
81.07057	0.4
83.08615	0.3
85.10146	1.0
88.07611	12.9
93.07008	0.5
95.08591	0.3
97.12038	0.2
102.09148	3.6
106.07998	0.4
106.08652	6.9
117.07056	0.2
135.11671	0.2
163.96831	0.2
230.24800	0.4
256.26288	6.2
266.24799	0.4
274.27341	100.0
275.27866	0.9
375.29968	0.5
393.31033	2.3
434.40933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07370	1.0
66.84467	1.0
67.26170	1.1
67.42043	1.1
75.23547	1.2
93.07045	1.3
170.79050	1.3
297.75589	1.1
388.19305	1.5
667.41711	100.0
668.42401	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	667.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.6
60.33060	2.2
67.05482	4.0
81.07045	5.4
93.07040	3.1
95.08624	2.8
213.43300	3.0
214.22737	2.9
333.20352	11.4
434.31464	2.8
448.95847	2.8
631.17535	2.6
667.45374	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	666.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
53.35733	0.7
53.87670	0.7
55.01866	9.3
55.05505	18.1
57.03428	8.0
57.07066	1.4
65.03915	1.0
66.17425	0.8
67.05141	1.7
67.05487	36.5
69.03403	4.2
69.07048	26.8
70.21500	0.9
71.04974	2.0
75.25237	0.8
75.39451	1.0
75.65564	0.9
79.05469	44.3
81.03386	6.5
81.07034	100.0
83.04952	6.2
83.08591	12.1
85.02870	1.2
85.06519	1.6
91.05456	33.7
93.06413	1.2
93.07015	34.9
95.04937	13.1
95.08011	1.7
95.08582	30.2
97.02893	1.6
97.06525	8.1
97.10161	1.3
99.08069	2.4
101.55847	1.0
105.06356	1.7
105.07007	27.2
107.04936	12.3
107.08566	19.1
109.06489	31.1
109.10130	12.5
111.08080	3.9
117.07013	11.4
119.08555	20.8
121.06445	5.2
121.10117	16.1
123.08047	11.7
123.11671	5.2
123.50092	0.9
128.06232	1.0
129.06964	4.2
131.08530	19.2
133.06479	1.4
133.10114	13.2
135.08032	11.2
135.11662	4.8
137.09601	10.8
139.11131	1.6
141.06958	1.1
143.08511	1.4
145.10092	8.6
147.08025	1.4
147.11652	12.1
149.09601	14.3
149.13206	2.0
151.11121	2.3
157.10147	1.2
159.11670	4.9
161.09615	1.3
161.13200	2.0
163.11134	6.2
165.09064	1.6
165.12709	4.9
169.10161	1.5
171.11699	1.3
173.09589	1.4
173.13225	4.0
177.12817	1.4
183.11670	1.2
187.11198	1.2
187.14757	1.9
201.16356	1.5
209.15352	1.5
211.14662	1.2
219.17442	1.3
247.16893	9.9
265.17963	3.9
275.19943	17.6
293.21054	4.0
321.20670	11.1
339.21600	29.2
349.23553	13.5
367.24701	18.1
377.77966	1.0
471.30472	1.2
595.39917	13.6
603.37317	1.1
613.40991	20.8
631.41925	22.1
666.21790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01857	14.1
55.05510	54.5
57.03424	6.0
67.05501	50.0
69.07063	36.9
79.05482	76.9
79.89909	3.1
80.42000	3.1
81.07047	100.0
83.04969	5.6
83.08617	56.0
83.73370	3.0
91.05472	65.5
92.09393	6.4
93.07033	64.2
95.04949	22.9
95.08586	38.4
97.06524	6.2
105.06985	37.5
105.43329	3.3
107.04948	14.0
107.08596	54.5
109.06519	24.6
109.10155	15.7
109.39353	3.4
111.08070	7.9
117.07011	24.8
119.08542	38.0
121.06460	5.2
121.10165	26.6
123.08065	4.8
128.85466	3.1
129.06992	7.8
131.08574	23.4
133.10107	23.0
134.71109	3.0
135.08049	22.0
135.11655	4.2
137.05937	4.2
137.09625	13.9
141.63893	3.5
143.08493	4.1
145.10097	21.8
147.11688	16.5
149.09605	29.4
159.11633	5.0
161.13255	5.7
163.11201	6.8
173.13403	4.7
201.16383	8.1
219.17424	19.0
247.16869	17.5
265.17883	6.1
275.20016	31.7
321.20602	17.0
339.21579	25.1
349.23624	25.3
367.24811	8.0
427.56323	3.7
552.66290	4.1
595.39551	13.3
613.40833	22.6
631.41998	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	666.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	4.0
55.01861	15.8
55.05507	39.5
57.03420	6.5
67.05484	52.8
69.03399	4.1
69.07059	25.0
71.04958	3.3
79.05472	61.8
81.03415	3.6
81.07031	100.0
83.04971	12.0
83.08611	26.8
85.02900	3.2
91.05460	45.2
93.07030	59.3
95.04942	53.6
95.08575	47.1
97.06529	3.5
97.10143	5.4
99.04417	4.5
105.07011	31.0
107.04936	14.8
107.08566	23.1
109.06517	31.6
109.10123	15.5
110.82594	3.4
111.04369	5.1
117.06966	14.8
119.08566	38.4
121.06477	7.5
121.10129	27.9
123.08035	7.4
125.09595	3.9
131.08554	20.4
133.10085	18.2
135.08002	15.7
135.11667	6.0
137.09662	10.1
145.10123	16.3
147.11647	5.0
149.09575	18.6
155.08528	3.5
157.10181	5.6
159.11644	5.1
161.09514	3.0
163.11119	24.4
167.10777	4.1
173.09535	3.4
207.57458	3.0
223.13258	12.8
229.19582	4.3
247.16899	11.2
275.20065	25.5
293.20975	15.1
321.20416	16.0
328.79971	3.4
339.21552	24.8
349.23618	19.1
367.24789	24.6
595.40002	11.0
613.40918	24.1
631.42139	25.1
666.37585	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	666.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01857	14.1
55.05510	54.5
57.03424	6.0
67.05501	50.0
69.07063	36.9
79.05482	76.9
79.89909	3.1
80.42000	3.1
81.07047	100.0
83.04969	5.6
83.08617	56.0
83.73370	3.0
91.05472	65.5
92.09393	6.4
93.07033	64.2
95.04949	22.9
95.08586	38.4
97.06524	6.2
105.06985	37.5
105.43329	3.3
107.04948	14.0
107.08596	54.5
109.06519	24.6
109.10155	15.7
109.39353	3.4
111.08070	7.9
117.07011	24.8
119.08542	38.0
121.06460	5.2
121.10165	26.6
123.08065	4.8
128.85466	3.1
129.06992	7.8
131.08574	23.4
133.10107	23.0
134.71109	3.0
135.08049	22.0
135.11655	4.2
137.05937	4.2
137.09625	13.9
141.63893	3.5
143.08493	4.1
145.10097	21.8
147.11688	16.5
149.09605	29.4
159.11633	5.0
161.13255	5.7
163.11201	6.8
173.13403	4.7
201.16383	8.1
219.17424	19.0
247.16869	17.5
265.17883	6.1
275.20016	31.7
321.20602	17.0
339.21579	25.1
349.23624	25.3
367.24811	8.0
427.56323	3.7
552.66290	4.1
595.39551	13.3
613.40833	22.6
631.41998	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	665.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.4
55.05486	2.0
57.43619	1.8
58.76142	1.9
58.79361	1.7
61.02901	5.0
64.33059	2.1
67.05486	16.0
69.03391	2.8
69.07038	3.8
70.88613	1.6
73.02887	2.1
79.05465	10.9
81.07019	14.6
83.08583	7.7
85.02864	3.9
91.03918	2.3
91.05433	3.7
93.07021	16.6
94.23992	1.8
95.08579	10.6
97.02867	3.3
103.05397	3.5
105.07051	6.9
107.08549	8.0
109.10104	4.7
119.08572	3.6
121.10094	2.9
131.04883	8.6
133.06407	3.1
133.10048	2.8
137.05962	4.2
149.13243	3.4
159.11630	2.8
165.05080	2.1
165.09065	2.2
197.74138	2.2
199.96338	2.7
251.19981	3.7
355.18066	2.4
433.28693	2.5
434.30017	3.0
453.20917	20.9
665.34698	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	665.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14026	0.3
55.05499	0.6
67.05481	0.9
68.21090	0.4
77.96945	3.4
79.05475	1.1
81.07031	1.7
88.04221	0.4
91.05443	0.8
93.07036	1.0
95.08567	0.5
103.98495	0.7
107.08579	0.7
111.92149	0.4
116.99240	2.9
119.08590	0.7
131.00809	0.8
133.10136	0.6
145.02364	0.8
151.50226	0.5
180.62013	0.4
213.08542	0.9
227.10173	3.6
228.10883	0.5
229.11696	3.7
245.10294	0.5
259.78000	0.5
285.10648	4.4
286.11578	1.0
304.11172	1.8
318.10468	2.3
333.20468	3.7
337.17480	2.9
355.18500	100.0
356.18948	1.0
371.17117	0.7
373.18341	2.3
530.98999	0.5
629.43207	0.5
665.38910	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	666.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.0
53.03938	3.0
55.01858	1.3
55.05504	17.6
57.03426	9.8
57.07067	9.4
58.06382	0.7
59.04976	0.9
61.02913	57.7
63.70231	0.7
65.03921	1.6
67.05490	77.8
67.73086	0.6
69.03415	7.0
69.07055	14.9
71.04986	5.5
71.08599	1.0
73.02901	21.7
75.04455	0.8
79.05472	73.3
81.03378	2.0
81.07037	80.8
83.04965	1.8
83.08617	9.8
85.02892	59.5
85.06520	9.1
86.10638	0.7
87.04478	1.0
90.98743	0.8
91.03932	46.4
91.05460	39.3
92.09263	0.8
93.07021	100.0
94.07364	1.0
95.04971	5.7
95.08580	57.9
96.04466	0.8
97.02868	27.8
97.06530	7.1
97.07030	0.9
97.10119	2.9
99.04404	2.8
99.08052	6.5
105.07008	29.4
107.08572	54.5
108.08889	0.8
109.02859	1.9
109.06500	3.2
109.10144	30.2
111.08059	4.2
113.09630	3.6
115.03887	3.1
117.07001	16.6
119.08559	24.1
121.10118	57.1
123.08006	1.2
123.11676	17.7
125.09632	1.5
127.03901	15.7
130.07732	0.8
131.08545	44.0
133.10103	36.0
133.16124	0.7
135.08060	0.8
135.11670	65.4
137.09584	4.6
137.13155	6.1
139.11172	1.6
143.08499	1.0
145.04927	15.4
145.10110	33.5
147.11658	19.8
149.09598	4.4
149.13242	32.6
149.14252	0.7
149.14459	0.9
151.11127	4.5
159.11665	30.6
161.13176	6.3
163.05981	23.3
163.11125	4.6
163.14745	1.2
171.11678	0.8
172.12466	1.1
173.13217	24.9
175.14761	3.3
177.12704	3.4
187.14790	6.7
189.16315	1.9
191.14215	1.4
194.42700	0.8
197.30905	0.8
205.15894	2.8
205.19518	7.2
205.49402	0.8
215.17915	81.3
216.18211	0.8
233.18964	94.5
235.20438	1.8
248.55998	0.9
251.20084	1.0
286.98773	0.7
307.22668	12.4
325.23669	57.2
355.18381	1.6
469.27838	1.4
550.58252	0.8
606.94263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47999	0.6
53.03930	1.0
54.81907	0.8
55.01859	1.1
55.05493	1.0
67.05482	2.0
67.93580	0.7
69.07049	0.8
70.06593	0.9
79.05476	1.1
81.07043	0.9
85.02861	1.0
89.06022	1.0
91.05481	1.3
93.07037	4.3
94.06544	33.4
95.07307	3.6
95.08601	1.2
96.04443	1.0
97.05225	0.8
99.04401	0.9
105.07038	0.9
107.04962	1.1
108.04471	1.3
110.09676	7.5
120.08056	3.7
122.06002	39.3
122.09689	1.0
124.07575	1.5
131.04965	1.0
133.10098	1.3
134.09561	1.5
136.07539	2.0
137.05963	3.4
138.09114	100.0
144.08078	1.2
150.09116	3.3
156.01384	1.0
162.05437	1.1
166.08650	1.2
168.06596	1.4
171.10385	1.6
178.04897	1.1
179.21068	1.1
186.09067	1.7
186.12782	1.7
188.10712	5.1
196.07579	1.1
198.09183	1.3
203.15518	1.1
211.08641	4.6
213.06531	1.8
213.10156	1.5
214.12274	4.5
225.10098	1.2
226.08733	1.0
227.08005	8.3
227.11740	2.0
231.14893	7.1
237.10141	5.2
239.08151	4.3
240.08800	4.2
241.09628	9.4
242.10378	1.2
242.11717	0.9
243.11253	3.3
244.12064	3.9
245.09177	0.9
251.08131	1.6
253.05988	1.3
253.09650	4.3
255.07619	4.9
255.11269	10.9
257.10416	1.1
257.12759	8.6
259.10870	1.2
259.14349	30.7
265.09695	13.9
266.07977	1.9
266.10547	1.4
267.07660	5.7
267.11206	4.8
268.08295	1.4
269.09241	11.8
270.10004	1.6
271.10739	0.9
273.08658	2.0
273.12363	1.0
279.07581	0.9
281.09180	5.1
282.10080	1.1
283.10687	18.5
285.08676	4.5
285.12225	1.7
287.10178	3.7
293.09137	17.0
295.07379	1.4
295.10751	5.0
297.08664	7.4
301.11703	3.4
309.08600	1.2
311.10199	17.2
313.11868	3.6
315.09680	5.5
321.08746	4.5
325.11786	1.1
327.09763	4.8
329.11206	10.7
337.08243	3.1
339.09698	23.9
347.10217	1.0
355.09103	13.4
357.10730	27.7
371.12363	10.3
375.11984	1.0
387.11804	17.1
388.12344	1.6
389.13309	17.4
391.11044	1.0
407.14343	18.1
425.17343	1.3
448.86328	1.2
476.17966	4.3
494.18903	5.6
508.21014	1.3
510.18826	3.4
526.21625	10.7
544.22693	16.6
597.23132	4.7
615.24371	14.2
629.26007	3.5
647.26874	23.6
665.28058	42.0
666.27625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81453	4.9
55.01848	9.6
55.05506	48.7
57.03410	17.8
57.07059	7.6
64.35927	3.8
67.05499	100.0
67.42997	3.9
69.07063	58.9
77.89665	4.9
79.05482	63.8
81.07040	90.4
83.04945	9.1
83.08599	26.6
91.05475	44.8
93.07021	58.1
95.04934	7.0
95.08580	79.1
97.06528	4.8
97.10162	25.8
105.07002	47.2
107.08571	32.0
107.35746	5.1
109.06477	6.4
109.10147	25.2
112.11385	3.9
117.06989	8.1
119.08580	23.2
121.10091	11.2
125.09653	5.5
131.08557	18.7
133.10103	17.0
135.11664	5.7
145.10081	8.9
147.11667	16.9
149.09641	5.0
152.69373	4.5
168.21556	5.0
176.53712	4.5
186.34706	5.1
227.12819	18.6
275.20020	24.4
297.32404	5.1
337.27264	42.8
349.23633	9.7
498.54398	4.7
611.46503	20.0
629.46655	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	665.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
53.18213	0.8
54.17945	0.7
55.01861	1.8
55.05496	0.7
59.23555	0.8
67.05491	4.5
69.07063	1.0
70.06559	0.9
72.95544	0.7
79.05486	1.5
80.18698	0.7
91.05464	3.6
92.09373	0.8
93.07036	4.7
94.06551	36.5
94.07864	0.9
95.04929	1.7
95.07327	1.4
96.04470	1.0
96.08122	1.4
105.07005	1.8
108.04475	0.9
108.08090	1.2
108.78754	0.9
110.09675	7.5
110.10329	0.9
119.08579	1.0
120.08083	3.6
121.06492	1.2
122.05119	1.4
122.06011	40.2
122.09650	1.6
124.07568	5.0
127.03896	1.3
127.38541	0.9
129.07013	1.0
131.04866	0.9
134.09608	1.4
136.07565	3.4
137.05933	3.3
138.09123	100.0
146.09561	1.1
152.10728	1.0
158.09555	1.8
162.05583	0.9
162.09201	1.0
163.07599	0.9
164.07098	1.1
166.08643	1.3
171.10417	3.2
172.07550	1.2
174.05490	1.4
175.08669	0.9
176.07155	1.2
184.07596	1.2
186.09169	1.5
186.12781	4.9
188.10661	3.3
189.08884	0.9
189.51178	0.9
196.07542	1.4
199.09962	3.5
200.10678	1.0
201.10094	0.9
203.15401	1.2
204.10197	0.9
209.10670	0.9
210.09209	1.2
211.08647	4.3
213.06500	1.3
213.10152	3.0
214.12277	11.8
215.08232	1.0
222.07545	1.1
223.08665	1.5
224.06984	1.3
225.06572	1.2
225.10234	1.6
227.08160	8.2
227.11679	1.3
229.09641	4.8
229.13336	2.0
231.14857	7.7
237.10205	11.0
238.08609	1.8
239.08127	6.3
239.11702	2.0
240.08742	1.5
241.05885	1.4
241.09697	14.9
242.11652	4.5
243.11191	9.0
244.12045	11.8
245.09158	3.4
247.10637	1.0
249.10457	1.2
251.08093	4.1
253.09622	1.6
255.07561	4.3
255.11279	8.6
256.08533	0.8
257.09302	3.3
257.12708	9.9
259.11316	1.1
259.14349	34.7
265.09689	25.7
266.08087	3.3
267.07837	7.3
267.11172	10.5
268.08255	1.7
269.09180	10.0
269.11722	1.0
270.10001	1.1
271.10754	3.7
273.08597	3.6
279.07764	1.5
280.08432	3.2
281.06342	0.9
281.09064	6.6
282.10104	1.0
283.10721	17.3
285.08603	5.3
285.12296	3.5
287.10236	1.1
293.05878	1.4
293.09146	32.3
295.07120	4.0
295.10788	6.8
297.08618	5.5
299.10016	1.2
301.11703	4.3
309.08505	3.5
311.10294	18.6
313.08142	3.1
313.11789	6.2
315.09747	4.6
315.13193	1.1
321.08646	14.3
325.11703	1.4
327.09613	4.3
329.11298	9.9
337.08179	1.2
339.09689	34.1
341.07761	1.2
341.11499	1.0
347.12598	1.0
355.09183	14.2
357.10703	25.8
371.12280	9.4
373.10114	1.7
375.11746	1.1
387.11774	17.9
388.12424	3.6
389.13379	40.1
405.12881	3.9
407.14438	19.0
440.21698	3.7
470.22656	1.2
476.18079	4.6
494.19214	9.1
508.20886	3.8
510.18500	1.2
526.22034	12.1
527.45135	1.0
544.22894	14.6
597.23151	5.6
615.24316	13.9
629.25269	1.6
633.25342	1.3
647.27063	20.0
665.28149	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69287	3.0
55.05499	6.0
57.07071	4.7
63.31271	3.5
67.05493	17.8
69.03415	5.8
69.21092	4.4
76.92213	3.4
79.05470	20.1
81.03416	5.0
81.07040	33.2
85.02899	50.0
86.09697	8.3
89.06022	5.6
91.05467	19.9
92.08699	7.1
93.07026	24.4
95.08567	7.8
105.07032	38.1
107.08579	8.6
109.10130	6.7
117.07014	7.2
119.08565	39.7
121.10129	7.4
123.11686	35.1
124.99987	5.8
129.07005	3.9
131.08542	7.8
133.06482	7.6
133.10129	6.0
135.04404	25.5
137.05916	4.8
145.10124	46.0
147.08089	9.0
147.11668	42.8
147.37148	4.3
156.09361	7.6
171.11696	17.8
184.07326	26.0
189.12711	100.0
207.13800	17.9
285.88284	4.9
291.19751	6.2
334.76910	4.9
353.72852	4.0
559.35864	3.9
680.05499	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	664.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.7
55.05307	0.7
55.05507	11.5
57.03173	1.4
57.03428	21.8
57.07066	42.5
59.04984	4.7
61.02914	10.2
63.43035	0.8
67.05490	100.0
69.03393	1.2
69.07056	8.5
71.04967	4.0
71.08245	1.7
71.08614	28.8
73.02892	2.0
76.81214	0.8
81.07034	27.2
83.08597	17.2
83.19027	0.8
83.56413	0.7
85.02893	7.6
85.06509	1.7
85.10168	16.5
91.03910	1.6
91.05459	6.6
93.07021	1.7
94.05345	1.0
95.08576	21.7
97.02847	2.2
97.06500	1.0
97.10139	5.8
103.07526	1.4
107.08585	2.3
109.10140	95.9
111.08084	2.2
119.08547	7.7
121.22501	1.0
123.11687	3.3
137.09593	2.0
155.10628	4.4
173.11700	24.6
229.14301	91.9
239.23689	1.2
257.24838	1.5
313.27307	82.7
467.37222	65.7
538.19629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.05497	10.1
57.07068	5.1
67.05489	37.4
69.03429	4.6
69.07048	9.1
69.75882	2.6
71.73088	2.3
73.61463	2.2
79.05472	13.2
81.03415	4.3
81.07028	26.7
83.08591	3.0
85.02883	4.4
85.06528	10.1
91.05461	13.7
92.05775	2.3
92.08656	4.3
93.07021	24.0
95.08588	100.0
105.07034	17.1
107.04911	2.1
107.08583	18.4
109.06484	4.1
109.10150	9.9
113.05964	2.9
119.08578	32.7
121.10132	11.4
123.08037	31.2
123.11703	4.8
129.06993	3.1
131.08534	8.6
133.10144	3.7
135.11696	13.3
137.09598	9.8
143.08533	3.8
145.10085	2.6
147.11667	5.2
149.09613	31.5
157.10074	2.4
159.11684	2.6
161.13249	11.9
163.11143	4.6
171.11708	4.8
189.12775	11.6
207.13766	46.1
369.23978	3.9
598.40106	2.8
651.37598	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	663.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	62.3
60.36347	0.7
61.65921	0.7
64.80976	0.6
78.92660	0.6
87.04455	1.1
91.05468	7.3
105.07041	1.6
109.65990	0.9
119.08543	1.2
147.11652	10.2
149.07405	0.8
153.07008	1.7
232.72299	0.8
233.03627	5.2
250.18370	0.9
251.04616	15.2
307.10983	1.2
327.07745	100.0
353.30023	0.9
383.13980	70.2
432.16373	0.9
439.20264	78.5
440.20438	0.9
495.26465	58.8
496.26758	1.0
525.20178	0.9
551.32782	59.9
592.65472	0.9
607.39063	65.7
663.45465	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	664.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80420	0.6
53.03934	3.9
55.01863	4.8
55.05501	12.1
57.03181	1.4
57.03431	23.1
61.02912	7.1
62.29861	0.7
65.03920	1.2
66.84415	0.8
67.05144	1.4
67.05495	39.6
67.10077	0.9
69.03416	7.4
69.07052	8.9
71.04971	6.8
73.02898	2.0
76.05538	0.8
77.30932	0.7
79.05477	26.8
81.03402	100.0
81.07041	26.4
83.04964	17.9
83.08608	14.4
85.02889	35.1
85.06523	1.3
90.49484	0.8
91.03933	1.5
91.05465	93.3
92.09338	1.4
93.07025	33.9
95.04956	24.5
95.08583	26.1
97.02899	7.1
97.06516	4.1
97.10145	1.6
99.08039	0.8
103.05431	1.1
105.04527	0.7
105.07014	22.7
107.04947	7.7
107.08569	8.5
109.02838	1.0
109.06510	5.4
109.10135	14.1
109.98518	0.7
111.04426	0.8
111.08051	6.6
113.05949	1.5
115.05441	1.4
117.06990	6.1
119.08563	81.7
121.06483	9.3
121.10123	8.7
123.08022	1.9
125.09647	1.2
128.06209	0.9
129.06960	9.2
131.04878	1.1
131.08553	10.0
133.06473	3.3
133.10130	8.2
135.08028	1.8
137.05957	4.3
137.09599	35.4
142.07730	1.8
142.46400	0.8
143.07043	1.0
145.10132	1.6
147.08018	12.1
147.11673	11.9
149.09627	5.2
157.10092	10.0
163.11032	1.3
165.09076	27.2
165.12671	1.4
168.42630	0.9
175.11139	11.2
181.25711	0.7
183.10129	8.2
192.76071	0.9
193.12207	30.5
211.13255	29.4
239.12732	14.6
242.45302	0.8
257.13809	28.1
267.15863	13.0
285.16885	27.1
339.19330	1.0
357.20477	1.2
359.04364	0.9
405.22458	1.7
431.24243	16.4
449.25320	19.2
467.26343	47.4
468.26340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	20.9
56.96816	1.0
66.28262	0.3
67.05466	0.5
71.95203	1.6
72.95978	1.9
74.97535	0.5
79.05421	0.4
81.06982	0.4
82.46963	0.4
83.08590	0.4
83.98823	0.4
84.96039	0.4
91.05464	0.5
93.06996	0.6
95.08546	0.7
109.06458	0.6
110.97525	1.5
115.48748	0.4
119.08520	0.5
128.98593	3.8
137.02670	0.5
139.54208	0.4
146.99603	2.9
148.94844	0.4
155.03743	0.8
157.01770	0.6
165.00616	0.4
165.09047	0.6
165.34364	0.6
167.03728	0.5
169.05350	0.4
171.03285	0.4
177.17241	0.4
183.06903	0.7
185.04794	1.8
189.04337	0.8
191.05922	0.4
199.06398	3.0
203.05861	2.6
204.06578	1.7
205.07477	0.7
211.06279	0.5
213.07864	3.2
217.07423	6.8
218.04631	0.8
222.07790	0.8
223.09993	3.2
225.07932	1.9
227.09540	0.6
231.06834	0.8
231.08963	5.8
239.09511	5.8
241.11050	50.3
243.08900	0.7
243.14462	0.6
245.10487	0.7
251.09462	1.8
253.11127	3.2
257.10559	3.1
259.12122	90.0
260.12558	0.6
264.12759	0.8
267.09100	1.0
269.10519	8.2
271.12225	3.2
273.50217	0.5
281.10510	0.6
282.13702	2.2
285.10019	0.6
287.11716	4.9
299.11722	0.5
309.17371	3.3
327.18655	0.4
333.17236	6.5
335.21826	2.8
339.18323	2.2
351.18332	41.3
353.21515	0.7
369.19406	100.0
370.19693	1.6
374.19919	0.7
387.20496	8.3
392.21130	5.0
538.88068	0.5
663.41370	43.5
664.41821	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81985	0.4
55.01859	0.5
55.05506	1.8
55.07317	0.4
57.03425	3.0
61.02916	7.6
63.70250	0.4
65.03898	0.4
67.05495	10.4
69.03412	3.8
69.07059	1.0
73.02902	6.3
79.05485	5.5
81.03413	2.5
81.07041	4.6
83.74023	0.5
85.02889	7.3
91.03942	5.2
91.05457	2.6
93.07047	5.3
93.18143	0.4
95.08594	2.5
97.02885	5.4
99.04436	1.6
101.02380	2.4
103.03923	0.5
105.07029	2.1
107.08527	1.2
109.02898	1.0
109.10141	5.4
119.08564	1.6
121.10135	3.6
122.19047	0.4
123.11701	0.5
123.51912	0.4
123.79659	0.4
127.03918	1.1
131.08562	1.1
133.10014	0.6
135.11758	0.7
140.66661	0.4
145.10097	0.6
173.11749	1.1
185.04218	0.5
195.09895	0.7
241.06882	0.6
243.08420	2.6
307.22839	0.8
413.17761	5.9
418.77795	0.5
429.71854	0.5
444.65820	0.5
491.26114	8.5
518.28619	0.6
663.37012	100.0
664.37347	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99580	1.4
53.03939	2.4
54.81437	1.5
55.01847	3.8
55.05505	33.4
57.03430	16.6
57.07058	4.5
65.03941	2.2
67.05492	100.0
69.03410	2.4
69.07053	34.1
79.05473	81.0
81.03363	2.9
81.07043	99.5
83.04948	8.9
83.08598	12.0
87.04440	10.1
91.05458	51.2
93.07023	89.4
95.04939	12.3
95.08576	56.0
97.06517	8.1
97.10166	3.1
105.04522	2.1
105.07011	39.5
107.04928	4.3
107.08571	44.3
109.06511	7.6
109.10158	16.2
111.08103	3.1
115.05444	2.0
117.07050	14.8
118.34679	1.8
119.08554	31.7
121.06440	2.0
121.10131	26.9
121.91944	1.8
123.08075	2.2
123.11692	7.2
129.06972	2.5
131.08546	24.7
133.10075	20.9
135.11662	17.1
143.08542	4.0
145.10077	19.1
147.11653	12.1
149.09537	3.1
149.13258	7.2
151.44524	1.9
157.10085	3.0
159.11691	16.1
161.13237	3.5
163.11145	3.6
173.13281	4.0
198.08582	2.1
226.62662	2.1
255.15776	7.6
257.18881	2.4
261.22086	3.4
269.17496	7.2
275.19946	15.8
335.25729	37.1
340.66171	2.1
349.23676	11.9
371.17407	1.9
515.37128	10.9
529.38684	58.1
569.42523	2.2
609.44910	3.8
614.26563	2.4
653.52277	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	663.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01891	0.4
55.05505	1.5
57.03420	2.3
57.06812	0.5
57.07071	6.9
59.45937	0.3
61.02916	6.8
61.67621	0.3
67.05491	4.8
69.03416	3.4
69.07060	1.5
73.02898	5.7
74.75706	0.3
79.05482	4.5
81.03418	1.6
81.07044	16.7
83.08608	0.4
85.02890	5.0
87.04453	34.7
88.04789	2.7
89.06004	0.7
91.03948	4.4
91.05468	2.9
93.07020	3.4
95.04954	0.4
95.08608	3.1
97.02886	4.8
99.04456	0.9
99.08101	0.4
101.02367	2.6
105.07022	1.6
107.08617	1.7
109.02850	0.6
109.10162	0.7
114.37229	0.4
119.08573	1.7
121.06493	2.9
121.10105	0.7
127.03914	2.0
127.07528	1.8
133.10089	0.4
135.11705	0.7
145.08623	1.8
147.11684	0.5
150.06824	0.6
165.09123	0.5
167.06776	0.6
168.21014	0.4
185.04224	0.6
201.11261	0.6
233.19057	0.7
243.08340	1.5
277.21671	0.7
335.25967	0.6
385.14566	9.5
519.29315	4.8
662.44446	2.3
663.36926	100.0
664.37659	3.6
686.78296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.8
55.05505	44.0
57.03429	7.6
57.07056	5.7
58.75740	4.7
60.91880	4.1
67.05499	100.0
67.16807	4.2
69.07045	39.0
79.05475	69.3
81.07034	69.8
81.17058	4.4
83.08595	21.0
87.04461	22.9
88.41550	5.2
91.05463	46.0
92.09393	5.6
93.07024	73.5
95.04959	11.6
95.08578	52.9
97.06489	7.7
97.10167	11.5
99.70923	4.6
105.07007	57.7
106.96347	5.4
107.08586	35.6
109.10141	31.2
111.46591	4.3
114.38369	4.7
117.07024	7.4
119.08567	25.8
121.10146	35.3
125.09592	8.2
131.08540	20.2
133.10146	25.8
135.11697	8.8
145.10147	11.0
147.11682	6.6
149.09575	6.9
159.11624	9.4
161.13242	10.6
227.12701	9.3
275.19977	26.0
301.11243	5.3
310.73178	6.0
335.25745	48.6
349.23624	20.8
466.56522	4.6
505.34482	5.7
609.45233	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.6
53.03925	3.1
54.81757	2.1
55.01859	3.0
55.05506	28.6
57.03427	12.5
57.07063	3.4
59.18711	1.9
61.93338	1.5
62.40033	1.6
65.03927	1.9
67.05492	70.3
69.03388	1.8
69.07048	20.8
70.78171	1.7
71.66898	1.5
79.05051	3.3
79.05476	53.4
81.03410	2.9
81.07040	100.0
83.04963	2.8
83.08606	9.2
85.06509	2.1
87.04449	7.7
91.05461	32.3
93.07028	46.8
95.04942	8.5
95.08590	40.5
97.06513	7.4
97.10156	2.6
105.07012	28.4
107.04929	2.4
107.08578	21.8
109.06490	16.0
109.10144	15.1
111.08067	2.8
117.07014	9.6
119.08559	21.8
121.06491	3.5
121.10101	14.2
123.08118	2.7
123.11732	2.5
131.08580	14.9
133.10136	13.4
133.45580	1.9
135.11673	3.0
137.09647	2.3
145.10124	10.7
147.11658	11.1
149.09605	3.3
149.13226	3.2
156.16063	1.6
159.11670	3.7
161.13281	2.3
163.11185	3.5
165.12708	3.0
171.11717	1.8
175.11041	2.3
176.26007	1.8
195.62634	1.8
223.13170	1.8
247.20657	2.6
275.19949	16.6
291.19736	2.4
293.20999	8.3
329.93665	2.1
335.25723	62.9
349.23770	10.3
367.24603	14.7
609.44794	19.9
627.45959	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00099	2.5
55.05504	26.8
56.81761	3.0
57.03433	24.5
57.07070	6.1
59.06120	5.3
60.05641	5.9
61.02913	5.2
67.05142	4.7
67.05492	100.0
69.07059	38.0
78.71765	3.1
79.05479	7.7
81.07044	38.4
82.61446	3.0
83.08618	24.5
85.02876	6.3
87.04437	15.2
91.05476	8.0
93.07018	17.7
95.08579	26.0
97.06499	3.8
97.10133	5.4
107.08585	12.4
109.10156	93.5
113.53330	3.0
114.60557	3.7
119.08584	12.2
121.10109	4.7
135.11687	6.1
135.28362	3.3
136.44173	3.1
137.09619	4.9
173.11760	22.0
183.45467	3.3
229.14330	82.4
311.25769	79.0
333.49585	3.1
465.35730	66.7
534.93365	3.4
606.46429	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.0
55.01860	13.7
55.05501	66.1
57.03426	15.1
57.07071	3.7
58.43861	2.6
61.74606	2.8
65.03919	3.1
67.05495	89.7
69.07060	33.3
71.04964	3.7
76.55683	3.4
79.05473	83.9
81.03397	6.3
81.06599	5.3
81.07038	100.0
83.04971	13.2
83.08609	34.8
87.04450	16.2
91.05463	51.8
93.07021	80.2
95.04950	84.1
95.08577	56.8
97.06514	11.7
97.10149	20.5
105.07008	47.6
105.46100	3.4
107.04943	13.8
107.08583	63.3
109.06491	17.1
109.10111	26.8
111.04424	5.9
111.08068	5.1
117.07001	20.2
119.08560	38.6
121.06462	6.7
121.10096	24.3
123.08012	3.9
123.11679	5.8
125.09561	6.0
126.44329	3.0
129.07089	3.5
131.08528	27.5
133.10130	26.3
135.11671	17.7
137.09615	3.9
139.11111	3.3
145.10115	29.4
147.11667	13.7
149.09598	22.2
149.13264	3.5
151.11137	3.0
159.11664	6.6
161.13263	3.3
163.11168	25.4
165.12679	3.7
173.13205	4.4
173.51991	3.1
189.11136	4.7
199.39731	2.9
223.13228	29.2
239.17958	4.3
257.19113	4.2
261.22049	5.3
275.19992	42.3
293.21011	25.8
335.25745	80.2
349.23761	21.1
367.24734	37.9
399.53445	3.9
418.19492	3.1
468.14587	3.6
526.06207	4.0
576.93469	3.5
609.44653	21.6
627.46069	68.1
662.45728	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	661.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
57.03438	1.0
67.05496	1.5
69.07059	0.9
71.24527	0.7
79.05486	1.2
79.28777	0.9
81.07034	0.9
87.14547	0.8
91.05475	1.1
93.07040	1.1
95.04967	0.9
97.06482	0.9
97.10128	0.7
100.75327	0.7
121.75225	0.8
135.08063	0.8
153.01868	4.7
254.47481	0.8
443.24402	5.6
499.26807	4.6
619.23749	2.7
639.35828	0.9
661.31946	100.0
662.32257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
55.01862	4.0
55.05317	1.6
55.05504	26.7
56.34392	1.9
57.03428	33.7
61.02905	4.6
67.05492	71.4
69.03402	4.7
69.07059	25.0
71.01335	5.1
71.04975	2.6
73.02876	2.5
79.05471	62.6
81.03398	74.2
81.07035	47.2
83.04955	23.4
83.08609	27.8
85.02891	30.2
85.06516	3.6
91.05461	45.1
93.07023	65.3
95.04947	33.0
95.08571	19.9
96.94023	1.9
97.02857	4.5
97.06492	13.2
97.10141	18.7
99.04472	2.3
99.08073	3.9
105.07012	27.8
107.04943	4.9
107.08574	47.4
109.06477	3.7
109.10146	9.1
111.08083	9.2
113.05930	3.3
117.06960	4.5
119.08559	27.6
121.10101	17.8
123.07987	2.6
125.09620	2.8
129.06999	15.8
131.08534	11.5
133.06490	2.4
133.10103	19.9
135.11670	52.4
137.05986	2.3
145.10086	13.1
147.11664	15.7
149.09566	4.6
153.01779	5.2
157.10092	14.8
163.11122	10.4
165.12628	3.1
175.11113	13.8
181.12215	8.2
188.33353	2.3
193.12254	37.4
195.14011	2.4
211.13286	32.1
240.06580	2.6
250.84904	2.1
255.15840	94.6
255.18488	3.8
267.15845	21.0
285.16852	23.7
307.18283	2.5
374.12589	2.9
414.91110	2.4
447.27295	55.6
465.28427	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	661.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45726	0.5
54.57833	0.6
56.70221	0.6
57.30273	0.6
63.51625	0.5
64.33218	0.7
64.82626	0.6
90.52045	0.6
91.05417	0.7
93.07006	0.7
95.04937	0.6
118.06586	0.7
120.08061	3.8
122.05984	0.6
137.05908	0.6
146.06035	1.1
148.07547	4.3
153.01765	4.4
158.79204	0.6
164.07047	0.9
167.25462	0.6
168.08028	3.7
169.08821	0.9
182.09755	0.6
183.09026	0.9
183.10446	4.9
183.14635	0.6
184.07344	0.6
185.10684	1.0
187.08618	1.5
192.06578	0.8
195.09122	1.3
196.07610	0.7
197.10735	2.6
198.12753	4.4
199.08624	3.1
200.95055	0.6
201.10246	1.2
201.62163	0.6
209.10672	1.5
211.08568	5.1
211.12292	3.3
212.09285	1.0
213.10139	5.0
214.11009	0.7
215.08127	1.0
215.11777	0.9
215.15369	1.3
223.08603	3.9
224.09267	1.2
225.06424	0.8
225.10130	9.1
226.12314	6.7
227.08115	4.3
227.11720	7.0
228.08899	3.1
228.12523	3.1
229.09743	1.3
235.08606	0.9
237.10185	17.6
238.07152	0.7
238.10977	3.3
239.08078	3.9
239.11755	10.7
240.08884	3.0
240.12460	0.9
241.09624	5.9
243.07545	0.8
243.11150	1.0
243.14870	9.7
247.08630	0.8
249.10033	0.8
251.08020	8.4
252.08859	4.2
253.09665	36.1
255.11165	7.3
256.12003	6.6
257.09109	0.7
257.12698	3.2
265.09650	34.9
266.10440	4.8
267.07642	3.7
267.11206	29.1
268.08289	1.2
268.12036	2.5
269.09280	5.0
269.11880	0.8
270.09729	0.7
271.11041	1.0
271.14328	16.3
273.12149	0.8
277.09811	0.8
278.06787	1.4
279.07632	4.5
280.08423	4.8
281.09146	31.8
283.07632	0.8
283.10703	4.7
284.11411	1.3
285.09152	0.8
285.12204	5.7
286.13055	0.8
293.09137	42.2
294.09799	3.7
295.10709	27.6
296.11441	1.2
297.08817	1.6
297.12024	1.9
299.10394	1.1
302.12595	1.5
311.10168	16.0
312.10913	5.1
313.11752	13.6
321.05170	1.1
321.08649	24.1
322.09256	1.4
323.10110	2.5
325.08051	0.7
329.11041	3.0
330.11740	1.0
339.09689	100.0
340.10428	7.1
341.11270	25.5
344.13605	7.3
357.10724	8.3
359.12366	1.1
371.12289	14.6
372.13068	9.0
373.13818	4.4
389.13327	38.9
455.22220	0.7
567.25653	3.7
582.25360	0.7
593.23389	3.5
611.24695	6.6
615.27521	4.7
643.27295	12.5
661.30176	1.3
691.58868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92279	0.3
52.52797	0.4
53.03932	0.7
55.05502	9.0
57.03432	9.1
57.07068	1.0
61.02914	2.0
65.03941	0.6
67.05149	0.9
67.05494	19.1
69.07056	8.2
71.04974	0.5
71.08641	0.5
73.02912	0.8
79.05475	12.7
81.07042	100.0
83.04985	0.8
83.08607	4.6
85.02899	2.3
85.06502	0.5
87.43344	0.4
89.06073	0.5
91.03958	0.8
91.05470	2.9
92.08563	0.8
93.07032	7.4
95.04959	1.0
95.08591	15.3
97.06514	1.8
97.10133	1.2
99.08081	4.8
105.07027	2.3
107.08559	3.4
109.06510	1.2
109.10131	4.6
119.08582	2.1
121.10134	2.0
123.08102	0.7
123.11687	2.4
127.07539	5.2
133.10130	1.9
135.11678	1.8
137.13287	1.0
145.08580	5.3
147.11690	0.9
149.13280	0.6
201.11197	38.8
245.22758	0.7
263.23630	3.0
337.27322	29.2
463.34052	15.6
545.38116	0.8
660.41711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49865	0.6
67.05527	0.7
84.40388	0.7
91.05424	0.9
93.07030	1.4
120.08080	1.7
137.05945	0.9
140.07027	0.8
146.06027	1.1
148.07545	4.8
153.01852	3.2
154.06487	0.8
159.09196	1.3
168.08047	1.6
169.08850	1.3
170.09506	1.0
174.05519	0.8
183.09074	0.8
183.10451	7.2
185.10724	1.8
190.84114	0.7
197.10715	2.7
198.12788	5.7
199.08626	1.6
200.09335	0.9
201.10306	1.4
204.06680	1.0
209.10719	1.3
210.11348	0.8
211.08528	5.6
211.12299	1.6
212.09297	1.2
213.10246	4.7
215.11845	1.2
215.15407	1.0
221.10774	1.4
222.07556	0.9
223.08572	3.5
224.09375	1.5
225.10197	8.0
226.12364	7.2
227.08188	3.7
227.11635	7.3
228.08900	3.0
228.12621	4.3
229.13620	0.7
235.08568	1.3
237.10194	22.0
237.12474	1.1
238.10933	4.5
239.08147	4.3
239.11697	9.9
240.08789	1.5
241.09717	4.4
241.13271	1.3
243.14876	10.6
247.08629	0.9
249.10315	1.2
251.08107	8.8
252.08995	2.8
253.09665	36.9
255.11238	6.7
256.11938	7.5
257.12814	4.6
265.06815	1.3
265.09668	39.0
266.10437	5.2
267.07678	5.9
267.11273	27.9
268.08643	1.3
268.12079	0.9
269.09143	3.7
271.11377	1.3
271.14371	16.8
279.07651	4.7
280.08350	5.1
281.09155	30.6
283.10690	5.3
284.11499	2.6
285.09006	1.2
285.12183	6.1
286.12784	0.8
293.09167	41.9
294.09924	3.0
295.10727	28.2
296.11575	1.8
297.08508	1.3
297.12216	1.3
299.10233	0.9
302.12482	4.0
311.10178	12.5
312.10986	4.5
312.14679	1.0
313.11804	13.7
321.08676	22.4
322.09402	0.8
323.10248	4.2
329.11279	5.0
330.11862	0.8
339.09695	100.0
340.10449	8.7
341.11304	25.8
344.13629	7.5
357.10721	8.2
371.12277	15.4
372.13062	11.1
373.14032	4.1
389.13364	43.2
423.16794	0.8
525.84821	0.9
567.25714	2.5
593.23572	3.6
611.24762	7.5
615.28094	5.4
643.27545	13.3
661.30542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90776	1.2
55.01840	1.5
55.05513	16.5
55.05742	2.3
57.03431	19.8
57.07065	2.9
59.04982	3.4
61.02908	7.6
67.05492	100.0
69.03405	1.8
69.07060	12.6
71.04958	6.5
71.08601	1.9
73.02903	1.5
79.05473	11.2
81.03400	1.5
81.06601	2.6
81.07039	53.6
82.34135	1.4
83.08607	14.5
85.02890	6.8
85.06485	3.0
88.75441	1.7
91.05465	14.3
92.09350	3.3
93.07043	14.2
95.04957	2.0
95.08587	29.3
97.02866	3.4
97.06470	2.6
97.10155	2.1
99.08067	3.3
105.06982	3.1
107.08550	7.8
109.10142	82.5
111.08062	3.7
117.55845	1.6
119.08550	10.2
121.10153	2.9
123.11641	2.9
124.42773	1.5
133.10118	7.0
135.11673	1.9
137.09561	2.6
145.10152	2.4
147.11650	1.9
155.10559	1.6
173.11668	16.4
217.19403	6.5
229.14320	57.4
235.20561	3.2
238.74693	1.5
309.24182	45.0
414.80933	1.8
463.27753	3.1
463.34100	51.0
567.35645	2.0
611.45868	1.8
659.39783	6.3
660.40186	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
54.02407	0.8
55.01861	0.7
55.05509	8.4
57.03431	11.4
57.07062	0.8
57.93611	0.7
61.02916	13.4
67.05141	1.6
67.05494	47.5
67.40742	0.7
69.03410	4.0
69.07064	7.3
71.04974	13.5
72.08101	1.0
73.02905	6.2
79.05470	13.0
81.03397	4.3
81.07042	74.2
83.04968	4.5
83.08615	9.4
85.02897	16.3
85.06516	6.2
87.04482	1.3
89.24191	0.8
91.03940	9.8
91.05459	19.2
93.07023	33.7
95.04944	4.4
95.08585	12.0
97.02887	5.2
97.06510	11.2
97.10112	0.9
99.04420	1.7
99.08046	2.1
103.03898	1.1
105.07011	8.6
107.08582	11.9
109.06508	3.6
109.10145	4.3
110.97758	0.8
111.08086	4.8
117.06989	7.5
119.08582	2.2
121.06492	1.6
121.10103	5.2
122.65345	1.0
123.11690	14.0
127.03884	6.0
131.08560	10.7
133.10120	17.3
135.08069	1.5
135.11682	8.1
137.05965	5.8
137.09589	1.0
145.04938	4.1
149.13226	18.5
151.11180	6.9
157.10056	1.3
159.11664	36.2
161.13213	3.6
163.06004	1.3
177.05504	0.9
177.12715	26.1
179.14291	6.9
187.13293	8.6
195.13779	7.5
243.15848	36.9
251.16331	11.5
257.17401	1.3
269.17432	100.0
301.20041	24.3
363.11630	1.0
413.21417	1.2
445.24313	24.9
449.14911	1.4
463.25089	1.3
630.25592	1.3
660.26581	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	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.5
57.03190	1.8
57.03431	17.0
57.07072	1.8
61.02919	2.0
65.38013	1.7
65.85956	1.6
66.06906	1.7
66.25572	1.7
67.05495	55.6
69.07063	18.9
71.04979	1.9
79.05481	43.2
81.03396	2.6
81.07046	68.3
83.04971	8.7
83.08618	16.3
83.09068	2.2
85.02914	2.8
85.06554	2.1
91.05463	17.7
93.07029	62.7
95.04973	7.5
95.08598	18.3
97.06529	12.1
105.07035	11.6
107.08582	36.4
109.06519	3.2
109.10147	2.3
111.08084	4.3
117.06998	8.0
119.08526	2.4
121.10149	20.0
131.08592	10.0
131.49707	1.8
133.10106	9.4
135.11647	6.9
137.06017	2.7
149.13246	32.0
159.11650	16.3
177.12695	3.4
195.13792	7.9
229.79889	1.7
263.33963	1.7
269.17471	48.7
305.27487	2.2
401.98215	1.8
463.30502	100.0
471.59799	2.1
618.39636	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	659.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.8
56.96556	38.5
67.05489	1.1
71.95245	2.0
72.96033	0.8
74.56606	0.8
74.97622	0.7
79.05466	1.1
81.07040	1.7
84.96009	1.4
91.05489	1.0
92.09337	1.9
93.07045	1.0
102.87354	0.8
108.77279	0.9
115.00706	0.9
116.98633	0.9
123.01180	0.8
128.98605	3.5
133.01715	0.9
137.02754	1.8
139.00743	1.1
141.02208	1.4
146.99661	4.9
147.03291	0.9
153.02281	1.3
155.03810	4.2
157.01656	1.0
159.03279	2.8
161.01201	0.8
165.00806	1.1
167.03862	1.3
171.03261	6.6
173.04863	1.6
177.04384	0.8
183.03296	1.7
185.04831	5.8
187.06483	1.0
189.04324	7.7
195.07057	1.6
197.08545	1.4
199.06361	9.2
203.05865	10.5
203.07330	0.7
207.06975	1.4
209.04863	0.8
211.06418	6.0
213.07918	23.0
217.07434	20.0
217.09196	1.1
221.08569	1.5
223.08391	1.1
225.07915	11.0
227.09552	3.2
229.07550	4.5
231.06920	2.8
231.09001	31.5
231.11208	1.7
237.08066	3.9
239.09476	7.4
241.11148	3.5
243.08954	9.3
245.10632	4.7
249.07950	4.3
251.09364	11.4
255.08968	23.4
257.10626	7.7
267.08966	31.9
269.10532	100.0
273.09991	19.8
273.12671	0.8
285.10034	51.3
287.11591	51.9
292.12271	3.6
297.10168	1.1
303.11218	3.5
310.25549	0.8
331.15643	7.2
349.16769	25.4
367.17831	53.3
385.18930	10.8
463.23563	1.2
561.30817	9.5
659.38226	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	660.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01862	8.1
55.05508	12.4
57.03431	13.8
61.02695	0.9
61.02917	15.9
67.05492	15.7
69.03407	5.1
69.07055	2.8
70.06593	1.8
71.04976	4.6
72.08148	1.6
73.02890	7.5
73.76152	1.1
79.05478	16.4
81.03402	13.8
81.07044	11.3
82.04172	2.8
83.04958	9.0
83.08600	5.9
85.02892	21.3
90.86404	1.0
90.87083	1.0
91.03926	9.3
91.05469	12.1
93.07027	7.8
95.04948	12.5
95.08591	4.6
95.97093	1.2
97.02884	14.4
97.06505	5.1
97.10121	9.4
97.17912	1.2
98.07280	7.0
99.04443	1.7
103.05447	1.2
105.07014	8.3
107.04955	5.1
107.08593	10.5
109.02876	2.5
109.06493	7.6
109.10135	1.8
111.04443	2.7
116.04729	11.6
117.06976	4.9
119.08549	6.5
121.06476	2.5
121.10107	2.3
123.08047	5.0
125.05959	1.2
125.09610	10.3
127.03865	6.0
129.05453	28.9
129.06944	2.1
131.04900	1.7
131.08543	2.8
133.06496	2.3
133.10115	2.6
135.04384	2.2
135.08028	1.8
135.11665	2.4
136.06322	1.0
137.05946	11.7
142.07600	1.0
143.06996	6.9
145.04944	4.6
145.10126	2.5
147.04407	2.6
147.11690	5.0
151.03932	1.4
157.08585	15.3
157.09961	3.5
163.06013	3.9
163.07471	6.5
163.11183	5.0
164.11961	1.3
165.09114	1.2
165.29289	1.1
171.10165	5.8
175.11160	1.2
183.47847	1.2
186.51602	1.2
189.11188	13.0
193.12163	2.6
200.14044	2.4
209.09541	4.4
227.06898	1.5
227.10858	1.1
227.12755	32.3
227.14871	2.3
237.08980	2.7
241.12111	1.4
267.15417	1.2
269.11646	14.6
283.15448	8.0
285.16977	1.3
301.16586	100.0
394.03479	1.3
445.26459	1.1
460.37970	1.2
462.23053	1.3
463.21475	6.9
570.04578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45466	0.9
54.00478	0.9
56.96559	71.2
57.03444	1.1
67.05502	1.4
71.95241	2.6
78.49438	1.1
79.05470	1.8
81.07030	2.6
84.96046	1.5
97.38689	1.1
98.97579	1.5
107.08604	1.2
110.97605	1.8
115.00718	1.6
116.98634	2.2
128.98618	4.5
133.01718	1.5
134.99574	1.7
137.02795	1.1
141.02271	2.2
145.01801	1.4
146.99669	7.7
147.03307	4.1
153.02197	1.6
155.03824	2.9
157.01732	1.8
159.03325	2.1
167.03748	2.1
169.01768	1.8
171.03262	13.3
173.04834	2.6
177.04402	2.0
183.03377	2.0
185.04857	11.9
187.02859	1.5
189.04347	15.1
191.05954	2.3
193.05466	1.7
195.06950	1.5
197.04869	2.5
199.06375	14.7
201.04262	1.8
203.05898	22.5
205.07465	1.7
209.04837	1.2
211.06287	8.3
213.07930	18.7
213.09560	1.2
215.06067	1.7
217.07455	33.8
217.09639	1.9
225.07921	13.5
227.09581	7.0
229.07520	7.4
231.06903	4.1
231.08975	28.8
231.11169	1.5
235.06396	1.5
237.04196	1.7
237.08075	6.4
239.09644	6.8
241.11133	2.7
243.08986	12.3
245.10504	10.0
249.07939	8.6
251.09435	11.2
253.07484	1.9
255.09001	46.0
257.10608	6.0
259.12225	2.2
263.09653	1.6
267.08984	61.4
269.10556	96.6
270.11172	1.4
273.10016	35.9
279.09039	6.2
285.10065	90.1
287.11630	48.3
287.14728	2.4
292.12393	1.6
303.11008	9.0
313.14597	1.3
331.15680	14.4
349.17001	49.5
367.17877	100.0
385.18796	9.9
386.47928	1.3
390.19513	6.0
561.31415	8.3
641.37225	1.9
650.98431	1.2
659.38232	70.2
680.15338	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85287	0.3
54.58194	0.2
54.75232	0.3
54.81520	0.3
56.96555	21.4
71.95204	2.1
72.95989	0.6
74.97552	1.2
84.95992	1.3
92.98580	0.4
97.96751	3.9
98.97514	1.8
110.97547	2.8
115.97809	3.9
116.98570	1.2
118.88559	0.3
128.98573	4.8
131.00151	0.6
133.01761	0.3
133.98804	1.3
135.72064	0.3
137.02667	0.5
139.00641	0.4
141.02225	0.4
143.00105	0.3
145.01620	0.4
146.99628	5.2
148.00383	0.5
149.01147	0.5
155.00053	0.5
155.03696	1.3
160.00464	2.3
161.01115	1.2
161.04771	0.4
165.00706	1.2
165.02063	0.5
167.03683	0.4
167.97247	0.5
169.01692	0.6
171.03220	2.6
173.01151	1.6
173.04848	0.7
174.01921	0.4
175.02791	0.5
181.01646	0.3
181.05287	0.5
183.03204	1.5
183.06857	0.3
185.01151	0.7
185.04829	4.6
185.98312	1.3
187.02771	1.6
189.04247	2.7
191.02194	0.4
191.05806	0.4
193.03763	0.7
193.05402	0.4
195.03328	0.4
195.06914	0.4
197.04794	0.6
198.05614	1.5
199.02713	2.8
199.06328	2.9
199.53174	0.3
201.04306	2.1
202.01651	0.4
202.05099	0.5
203.05881	5.9
205.07451	1.7
211.06367	1.8
213.04257	1.9
213.07988	4.9
215.05827	0.7
216.02998	1.9
216.06633	2.0
217.03951	2.2
217.07411	5.3
217.70105	0.3
219.03313	0.4
223.02742	1.6
223.06447	0.6
223.08394	1.7
223.10278	2.7
224.03510	0.4
224.07152	0.5
225.04221	0.6
225.07976	2.3
226.05103	0.5
226.08678	1.3
227.05843	1.9
227.09412	0.5
229.07405	0.6
231.05252	0.7
231.08975	6.8
232.09729	0.6
237.04250	2.2
237.07925	1.2
239.09511	9.1
241.03827	0.7
241.07263	1.1
241.11058	42.6
242.08162	5.4
243.08923	1.7
244.06111	0.3
244.09799	0.7
245.06837	1.2
245.10553	1.8
249.07866	0.7
251.09459	1.8
253.11026	3.5
255.05365	1.7
255.08926	2.4
257.10571	8.0
259.12112	67.2
260.09186	3.2
264.12665	0.7
267.09012	3.6
269.07312	0.7
269.10507	8.0
271.12070	2.8
273.10052	0.7
277.13080	0.5
279.09106	3.2
280.09702	3.2
281.10394	1.1
282.13770	1.3
285.09940	2.4
287.11554	3.8
288.69510	0.3
297.10049	8.9
298.10773	6.2
299.11450	1.3
307.15744	3.5
312.08820	0.7
315.11075	1.5
316.11847	4.7
319.15610	0.4
320.11874	0.4
325.16824	1.7
331.15668	11.1
337.16748	0.6
349.16785	62.8
350.16931	0.7
367.17844	100.0
368.17642	0.4
372.18253	0.5
376.57095	0.4
385.18872	7.8
390.19394	4.1
402.89862	0.3
434.89148	0.3
641.37177	0.5
659.38214	52.4
660.38745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.3
53.03930	1.1
55.01859	0.6
55.05504	15.4
57.03426	16.7
57.07055	2.8
59.04988	4.7
60.83728	0.4
61.02910	8.5
65.03911	2.2
67.05490	100.0
69.03407	1.3
69.07049	8.6
71.04964	3.6
73.02891	2.3
79.05470	33.0
81.03387	1.1
81.07034	45.5
83.04961	0.7
83.08607	9.3
84.20413	0.5
85.02872	7.3
85.06517	3.4
87.04443	0.5
91.03927	2.7
91.05459	18.3
92.09414	0.9
93.07020	41.1
95.04940	4.6
95.08009	1.1
95.08582	22.7
97.02883	3.8
97.06496	2.3
97.10150	1.2
99.04462	0.6
99.08058	2.3
105.06361	0.8
105.07006	12.7
107.04913	0.6
107.08566	13.8
107.29771	0.6
109.06448	2.0
109.10136	82.9
110.10526	0.6
111.08039	3.2
114.37029	0.6
117.06957	4.5
119.08548	12.1
121.10116	15.1
123.11687	2.4
125.09591	1.0
129.06914	0.8
130.26749	0.5
131.08553	8.0
133.10129	8.4
135.08026	0.7
135.11658	11.9
137.09586	2.6
143.08484	0.6
145.10077	7.2
147.11705	4.6
149.09579	0.5
149.13261	5.5
155.10660	3.2
159.11646	4.7
161.13210	0.7
171.11667	0.6
173.11691	17.2
173.13214	4.4
187.14825	0.9
189.16231	0.7
201.11217	1.3
205.19421	0.7
215.17915	12.1
227.12746	1.1
229.14302	53.0
233.18964	13.1
307.22604	52.8
335.25726	1.0
354.37228	0.5
363.25409	0.6
369.27576	0.8
447.83432	0.6
461.32535	41.7
462.32962	0.7
479.33429	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	659.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10935	0.4
55.05503	0.5
56.96555	13.2
57.89388	0.4
67.05496	0.4
71.95255	1.1
79.05480	0.7
81.07033	0.6
82.50163	0.4
83.86660	0.5
94.84149	0.4
98.97571	1.8
110.97567	1.0
116.21406	0.4
116.98582	0.7
128.98601	3.9
131.00110	0.5
143.00266	0.5
146.99617	6.1
149.01166	0.7
161.01183	2.4
165.00713	1.8
169.01620	0.4
171.03262	1.1
173.04805	0.6
175.02771	1.0
183.03215	0.5
184.03899	0.6
185.04765	3.3
187.02779	0.9
189.04346	3.5
191.05743	0.6
197.08435	0.5
197.86877	0.4
199.06360	1.7
201.04282	1.8
203.05890	6.0
205.07486	2.5
209.06902	0.6
211.06444	1.0
213.07893	0.5
217.07401	3.3
223.02838	1.0
223.06465	0.7
223.08420	4.5
229.07533	1.0
231.09018	0.6
233.37514	0.4
237.04225	3.1
237.07822	1.1
239.09541	3.7
241.07516	1.7
243.08980	1.1
251.06001	0.8
254.40640	0.5
255.05415	2.8
255.08833	3.1
257.10510	2.4
267.09018	1.0
269.06876	1.0
269.10538	0.7
273.10059	2.8
280.09845	0.8
281.10406	1.6
285.09982	0.6
288.49570	0.5
293.10544	1.0
298.10724	0.5
299.11630	1.0
305.14194	0.6
307.15942	0.6
311.11575	0.7
331.15768	29.1
343.57803	0.5
349.16815	100.0
350.17282	0.9
367.13409	1.1
367.17865	24.9
372.18304	0.9
390.19385	1.9
548.11414	0.5
641.37512	0.6
659.38281	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51801	1.7
57.81832	1.5
69.04534	2.6
275.15118	2.0
377.17389	2.3
379.19376	3.4
391.19244	3.8
392.20386	1.9
394.17737	2.8
407.22699	3.0
408.19342	6.9
409.20233	2.7
418.18118	2.7
419.18604	2.5
421.20068	8.2
422.20743	7.7
423.21786	24.0
433.20270	2.5
435.21619	8.7
437.23276	4.2
446.20401	2.6
449.23233	3.4
451.21133	2.8
453.22641	3.0
454.20120	7.0
461.23297	8.0
463.20895	2.7
465.23016	7.4
467.24927	2.8
477.22998	4.6
479.24435	2.8
480.29999	2.0
493.22824	4.3
494.26379	2.1
495.23669	13.0
496.24310	3.7
506.22549	2.3
508.24731	16.3
509.25101	11.2
510.26013	11.5
511.26932	15.4
521.25610	3.0
522.25104	2.7
523.23145	3.1
537.24713	16.7
538.25153	8.6
551.64063	2.2
553.27722	8.4
565.24451	2.9
566.25031	2.4
581.27283	11.9
583.25226	2.8
587.62396	2.0
597.27075	39.9
598.28241	3.1
613.30029	63.5
625.16284	3.7
625.26483	100.0
657.28461	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	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.2
67.05492	1.4
69.04546	8.6
69.07038	1.6
77.79790	1.3
81.07061	1.5
136.10736	1.5
136.52493	1.3
178.77394	1.3
212.80412	1.5
214.73790	1.6
235.12350	1.9
260.12915	1.8
261.13626	1.5
299.42542	1.4
303.13599	1.6
303.17496	1.5
352.17773	1.9
377.17651	2.9
379.19235	7.4
391.19315	6.6
392.20267	2.3
393.16614	2.3
393.21109	3.1
395.22900	2.3
405.20837	5.6
407.17984	3.1
407.22412	6.1
408.19278	6.2
409.19931	6.9
419.18481	6.4
421.20248	7.8
422.21225	5.0
423.21786	27.5
424.22198	2.2
435.21890	10.3
436.22235	6.3
437.23441	2.5
446.20981	2.4
449.19260	2.0
450.24344	1.9
451.21341	6.7
452.06329	1.6
452.22464	1.4
454.19925	2.8
461.23260	7.2
463.21106	6.3
465.22745	3.3
466.23541	1.9
467.24643	2.7
468.24530	2.1
477.22803	5.9
478.23834	2.7
479.24130	8.3
481.21973	1.8
493.22125	3.1
494.25931	6.0
495.23474	14.6
496.24417	6.5
507.23740	2.4
508.24716	16.9
509.25775	12.6
510.26407	13.2
511.27112	16.0
519.23975	2.0
521.25195	3.3
523.23334	5.5
537.25171	15.5
538.25793	6.0
553.27716	6.5
565.24420	5.1
570.28351	5.4
581.27368	20.4
583.24994	2.9
597.27045	37.3
598.27454	5.6
613.30103	73.5
625.26453	100.0
626.27429	1.9
657.28741	10.9
657.41254	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	658.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.3
53.03930	1.1
55.05507	6.4
57.03430	9.1
57.07056	0.6
61.02920	3.6
65.03922	0.5
67.05492	17.3
67.05853	0.6
69.03409	0.4
69.07064	4.4
71.04979	0.3
71.08632	0.2
73.02905	0.6
79.05475	20.2
81.03410	0.3
81.07040	100.0
82.07417	0.2
83.04951	0.9
83.08605	1.7
85.02892	2.2
85.06532	0.3
89.06010	0.2
91.03938	1.1
91.05464	5.1
92.08717	0.3
93.07025	13.0
95.04954	1.5
95.08589	13.9
97.02859	1.9
97.06506	1.0
99.08076	4.5
105.07024	4.4
107.08582	8.6
109.06505	1.8
109.10142	6.5
111.08092	0.4
117.07011	1.4
119.08566	3.5
121.10130	6.3
123.08056	0.3
123.11680	1.8
125.09666	0.3
125.37543	0.3
127.07528	6.4
131.08539	3.3
133.06548	0.2
133.10098	2.8
135.11678	4.4
137.09631	0.3
137.13290	0.4
137.34676	0.3
143.07031	0.5
145.08580	4.7
145.10081	2.6
147.11658	1.8
148.38297	0.2
149.13226	2.8
159.11707	1.5
161.13188	1.0
163.14825	1.3
173.13187	2.0
175.14792	0.4
187.14781	0.4
195.25571	0.3
199.09650	1.6
201.11188	29.1
223.40372	0.2
243.21002	2.4
261.22070	6.1
317.24734	0.6
335.25748	24.7
365.80612	0.3
369.27893	1.1
443.31302	0.4
461.32547	10.6
479.33728	1.7
632.66095	0.4
658.40588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60163	0.4
53.00303	0.4
55.51717	0.4
56.05038	0.4
57.07067	9.0
58.06583	2.7
58.24960	0.4
61.96656	0.4
62.60006	0.3
63.18154	0.4
65.03951	0.7
67.72391	0.3
69.32628	0.4
70.06577	25.1
71.08611	3.0
79.94792	0.3
85.10200	0.8
88.07616	26.5
102.09161	21.4
105.03400	0.7
108.10507	0.4
131.04904	0.7
139.03903	0.7
147.04359	0.7
149.02324	59.4
175.03917	0.8
177.05460	0.9
193.04933	71.3
212.23489	0.4
219.06548	1.9
225.05457	1.8
237.07526	21.1
256.26294	50.7
269.04449	2.2
297.03992	2.9
300.28918	0.7
313.07028	4.5
323.04922	0.5
341.06430	12.5
343.07932	0.4
359.07498	8.9
385.04199	0.9
385.09103	26.0
403.10138	0.7
429.11710	32.4
436.82193	0.5
658.35748	100.0
659.36578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11901	0.5
73.74129	0.5
79.05466	0.6
81.07044	0.8
83.08601	0.5
102.09844	0.5
115.77351	0.5
121.45728	0.5
121.89383	0.5
134.52127	0.6
152.46851	0.5
271.10648	0.5
331.18854	2.4
349.19760	2.1
657.39624	100.0
658.39984	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	656.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94465	0.6
53.00270	0.7
54.81371	0.9
55.01859	5.0
55.05506	31.8
57.03412	4.1
61.02903	4.1
65.03928	0.7
67.05148	1.0
67.05495	27.7
69.03401	4.0
69.07059	7.7
71.04958	0.9
72.25322	0.7
73.02905	1.0
79.05472	28.1
81.03416	1.1
81.07043	20.9
83.04956	3.7
83.08606	18.0
85.02885	3.0
85.06503	0.7
91.03923	1.1
91.04888	1.2
91.05461	26.8
93.07029	15.5
95.04944	3.0
95.08596	6.3
97.06493	1.4
97.10149	31.5
101.09627	0.7
103.05444	14.0
105.07014	18.5
107.04945	3.9
107.08580	16.1
109.02850	1.2
109.06506	1.6
109.10137	6.4
111.08052	1.9
115.05460	5.9
117.07000	34.4
119.04900	1.2
119.08571	11.3
121.06472	1.7
121.10089	3.1
123.08018	1.5
125.09611	28.7
128.06200	3.2
129.06978	16.3
131.04840	1.7
131.08539	24.3
133.06465	6.9
133.10100	3.9
135.08006	6.2
141.06937	6.2
142.07782	0.8
143.04860	1.2
143.08553	10.9
143.10498	0.9
145.06467	9.9
145.10101	8.6
147.08041	3.4
147.11617	0.8
149.09602	3.1
151.11195	0.9
153.06958	0.8
153.09096	3.1
155.08528	13.5
157.06471	4.0
157.10098	4.4
159.08031	4.9
159.11650	3.2
161.09589	1.0
165.06963	1.6
166.07692	0.9
167.08549	5.3
168.09294	1.3
169.10051	8.5
171.08018	4.3
171.11679	4.7
173.09567	3.4
173.13235	2.9
175.11119	1.0
176.76251	0.7
179.08519	2.7
180.74658	0.8
181.10031	2.4
185.09613	1.3
185.13220	3.5
186.21187	0.8
187.14804	7.3
189.11186	10.7
189.12704	1.3
193.10031	1.4
195.11662	1.9
197.13251	10.6
199.11125	1.8
199.14769	1.0
211.11380	0.9
211.14755	0.8
213.12700	3.2
215.14272	31.2
221.13136	0.8
223.11194	1.2
223.14824	0.9
227.12650	13.0
233.13269	0.9
233.15433	1.5
237.12703	1.2
241.15570	0.8
253.16080	0.8
269.15375	1.2
271.17001	1.3
321.22134	1.0
339.23306	1.7
349.21533	7.8
367.22495	11.9
385.23697	8.9
403.24780	2.9
441.26263	47.6
459.27338	100.0
460.28082	2.2
477.23428	0.8
477.28473	13.4
658.55835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42863	5.6
55.01863	10.4
55.05502	50.8
55.06840	5.9
57.03405	11.0
57.04488	5.8
57.07079	61.3
57.25010	5.2
57.97580	5.5
61.78247	6.7
67.05492	78.5
69.07029	31.1
71.08611	29.3
73.49456	5.1
79.05477	59.6
81.03416	9.6
81.07044	100.0
83.04965	11.5
83.08592	35.2
85.10169	12.0
91.05457	35.6
92.08583	11.9
93.07047	44.8
95.04948	15.6
95.08599	63.9
97.06493	9.3
97.10159	43.9
105.07014	33.3
107.04944	11.3
107.08559	29.8
109.06500	11.7
111.04377	6.6
117.07024	26.2
119.08548	30.5
121.06493	8.0
121.10136	23.7
123.08073	25.9
123.11687	6.4
125.09592	28.9
131.08540	8.5
133.10120	12.7
135.07990	10.9
135.11720	12.7
137.09543	8.7
145.10094	11.8
147.08029	14.9
147.11694	10.8
154.03056	7.9
157.10168	8.2
177.12839	6.2
189.11218	10.3
225.34476	6.6
227.12787	14.0
273.18381	31.9
291.19510	69.3
313.27271	84.2
365.23178	15.4
383.24277	8.8
393.06799	6.5
596.85144	7.2
603.45947	31.8
613.86926	6.5
621.46594	28.9
669.10522	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	655.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40966	0.4
53.00298	0.6
55.05503	7.0
57.03431	7.8
57.07067	70.3
61.02915	15.9
62.30482	0.4
65.21454	0.5
67.05489	13.8
69.03403	2.1
69.07050	10.7
71.04981	0.8
71.08614	49.7
73.02903	5.3
75.04454	2.2
81.07037	20.8
83.08602	17.0
85.02888	14.0
85.06515	0.5
85.10167	31.8
89.05984	1.0
91.03932	12.8
93.07025	0.6
95.08585	37.7
97.02861	6.3
97.10145	7.2
99.04416	0.8
99.11727	1.9
99.84196	0.5
102.27969	0.5
103.07536	1.0
109.10139	15.7
111.11701	1.9
115.03914	0.6
123.11683	6.9
127.03899	3.3
127.79471	0.5
137.13229	2.2
145.04941	4.8
151.14767	0.7
163.06047	4.7
165.16391	0.8
216.30586	0.5
221.22638	1.2
239.23639	21.7
255.26367	0.5
257.24722	5.4
281.53287	0.5
290.36441	0.5
306.11462	0.5
306.56769	0.5
313.27307	100.0
314.27637	0.7
331.28375	19.6
475.32336	3.7
654.46246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96384	0.8
55.01867	0.9
57.03437	1.0
59.45227	0.7
61.02925	1.8
69.03411	5.8
79.05454	4.0
81.03383	3.8
81.07038	1.6
85.02879	15.0
91.05473	1.6
91.41993	0.8
93.07037	1.2
95.08592	1.4
97.02872	7.0
99.04376	0.8
103.05433	2.1
103.20740	0.8
105.07022	30.7
106.38397	0.8
107.04987	1.1
107.08553	1.3
109.06500	4.3
117.06976	1.2
117.75224	0.8
119.08605	1.8
120.22091	0.9
121.06513	1.5
123.04384	1.6
124.79574	0.8
127.03885	3.9
129.06972	0.8
131.04919	1.8
133.06467	37.2
135.04317	1.0
137.05954	56.4
145.04918	2.0
150.06770	1.1
151.07526	1.6
163.07516	13.2
165.09085	100.0
177.09068	1.6
177.92038	0.9
191.10606	6.3
205.00330	0.9
233.09222	1.0
277.08035	3.0
315.15848	24.7
353.24777	0.8
370.62326	1.0
491.86679	1.1
610.81091	1.0
668.82849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11095	0.8
53.00299	1.2
55.01863	1.8
55.05508	20.9
57.03441	8.8
57.07067	82.4
60.27868	0.8
61.02916	28.3
67.05196	1.3
67.05499	23.8
67.20733	0.9
69.03412	4.5
69.07059	18.7
71.04956	1.1
71.08618	60.5
73.02885	10.2
75.04443	1.9
79.05477	11.0
80.05819	1.2
81.03393	1.9
81.07041	43.5
81.72021	1.2
81.74911	1.0
82.07363	1.2
83.04969	1.6
83.08605	25.0
85.02888	29.9
85.06545	1.4
85.07545	0.9
85.10166	35.0
89.06008	1.4
90.31826	1.0
91.03934	22.0
91.05462	4.1
93.07038	8.4
95.04949	8.5
95.08586	50.7
96.08942	1.4
97.02876	11.0
97.10148	13.1
105.07007	5.5
106.07313	1.4
107.04946	4.4
107.08577	5.0
109.10143	19.1
111.04476	1.4
117.06990	2.6
118.07319	1.4
119.08552	7.9
119.49117	1.0
121.06479	2.6
121.10110	2.6
123.11642	7.7
125.09602	2.4
125.13246	1.1
127.03882	5.4
129.06973	1.8
131.08528	1.6
132.08888	1.2
132.75146	1.0
133.10083	2.5
135.08017	1.6
135.11694	1.2
137.13235	2.0
138.77577	1.1
143.08597	1.2
145.04985	7.6
145.10121	1.9
146.10313	1.2
147.08022	1.7
149.09566	1.6
163.05940	8.5
163.11195	2.5
189.11212	1.4
221.22411	1.3
223.13341	1.9
239.23633	28.0
240.78223	1.0
257.24683	5.4
273.18442	4.5
275.20142	1.3
291.19415	14.8
292.19839	5.5
293.21027	4.9
294.21411	2.6
313.27322	100.0
331.28363	20.4
419.18307	1.4
434.20447	1.1
519.75348	1.3
549.24677	2.0
577.24115	1.2
584.39685	1.6
595.24274	1.6
655.28046	16.3
655.38019	3.8
656.27332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
57.07068	0.8
67.05465	0.4
69.34726	0.4
75.04449	0.4
76.56442	0.4
77.55099	0.3
79.05436	0.5
81.07048	0.6
83.04972	2.7
91.05460	0.5
93.07024	0.6
107.08532	0.5
119.08544	0.4
119.40176	0.5
128.27821	0.3
147.11740	0.4
160.91943	0.4
175.01500	1.4
181.02647	2.6
184.19662	0.4
227.04715	0.6
308.85080	0.5
313.11975	1.6
369.18225	0.4
391.19080	0.5
405.17017	2.3
405.21375	0.8
407.22449	5.4
419.17935	3.1
420.18921	1.3
421.19824	1.6
433.20618	6.2
434.20865	4.8
435.21689	9.1
436.22992	0.5
447.16867	0.7
447.21802	2.4
448.17883	0.6
448.23267	0.7
449.19568	1.9
461.19321	1.7
462.20370	5.2
463.21228	6.0
475.20901	1.7
476.22083	0.7
477.22952	1.5
489.22794	1.6
493.22244	0.7
495.23877	1.6
507.24258	0.8
508.24490	2.5
509.25320	2.1
521.25464	11.7
535.26648	0.5
543.18518	0.9
549.24878	20.9
553.23914	0.5
563.26697	3.1
564.27551	0.6
581.27576	3.9
595.29199	11.3
599.25098	2.2
609.26953	12.3
623.28210	2.1
624.28772	0.7
655.31030	100.0
656.31635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97527	0.6
67.05515	0.9
69.07071	1.3
81.07049	1.4
93.07022	0.9
95.05036	0.8
135.63788	0.7
188.92439	1.4
223.33047	0.8
396.82751	0.8
532.68561	0.8
642.96301	1.0
653.26630	3.3
653.45886	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	654.313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23824	2.4
55.01866	4.7
67.05476	4.0
69.03421	4.6
70.06577	11.1
79.05460	5.7
81.03393	3.3
81.06994	3.5
83.04948	2.8
85.02881	4.4
86.09691	3.1
91.05478	6.1
93.07004	3.5
94.06564	5.1
97.02863	3.8
97.06530	4.4
103.05469	4.4
105.06976	3.4
108.08115	13.3
109.06557	2.8
110.07140	3.3
112.80949	2.8
119.04917	5.3
119.08571	3.9
121.06490	3.8
122.06012	38.6
123.08012	3.0
124.07593	14.3
131.04916	4.8
133.06509	3.2
136.07556	38.0
137.05949	34.2
138.09117	36.7
145.02776	3.4
147.04411	6.3
150.05531	3.9
162.05453	3.5
164.07042	77.2
164.10722	5.8
166.08517	2.9
166.46342	2.6
174.09108	23.5
176.10710	4.2
177.09055	3.5
181.09746	12.4
182.15375	3.3
187.08575	5.5
188.07037	4.0
189.10219	3.3
191.08131	17.3
192.10144	5.2
193.82069	3.3
202.08734	22.6
203.08119	50.0
204.06502	27.0
210.04039	3.1
213.10139	5.4
215.08159	15.0
216.08611	3.1
217.06062	4.4
217.09653	40.1
219.11452	3.5
220.26770	2.7
229.05969	22.0
230.08116	14.3
231.07716	4.7
231.11272	4.5
241.09676	7.1
243.07547	5.4
243.11110	5.1
245.09111	57.9
246.07486	6.6
247.10696	4.1
257.09109	6.4
259.07166	10.2
259.10733	10.8
261.08661	59.2
261.11435	4.3
261.12430	4.0
263.10196	58.8
269.09146	5.4
271.07101	7.0
274.12936	4.2
275.06555	3.0
275.13956	14.4
276.07455	5.2
277.08124	86.1
278.08444	43.4
285.08606	12.6
287.10132	43.7
289.08093	5.2
301.11746	83.9
305.11234	45.8
307.12857	11.9
313.08066	11.6
318.16220	3.2
319.12738	5.6
331.03824	3.1
338.15030	5.2
347.16254	3.7
348.13342	4.9
349.13849	4.0
362.14816	6.5
363.15259	6.5
366.17944	11.2
378.18021	15.5
380.19388	3.3
383.14282	5.3
391.15182	18.2
392.15384	18.3
405.16299	4.1
406.17459	59.2
407.17816	35.8
408.19141	3.8
414.16550	6.4
415.16544	6.1
420.19006	5.8
422.16489	3.5
423.17508	3.5
424.18518	11.9
426.20450	24.2
434.16772	14.8
444.21066	20.1
445.09702	3.1
450.16406	15.8
451.16681	5.3
452.18082	42.5
457.22278	4.7
468.17590	41.7
469.18002	20.9
470.19119	26.8
498.18726	5.6
499.18765	17.9
571.25159	4.0
589.26410	65.3
606.25714	5.5
607.27490	100.0
618.25262	4.2
619.27612	31.4
635.27063	15.5
636.27338	68.5
637.28064	20.2
654.27765	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.46562	2.3
52.44829	2.3
52.87627	2.5
59.74422	2.6
68.41151	2.6
69.07800	2.5
81.07084	5.5
84.07332	3.1
92.08676	3.2
128.81279	3.8
161.82367	3.2
256.89954	3.3
279.01910	2.8
319.61026	3.2
390.18655	4.3
403.19675	5.0
404.20135	5.7
405.20792	5.7
415.19431	4.0
419.22510	4.5
433.19971	12.6
447.21774	13.3
457.24008	4.0
475.21176	14.4
483.21777	3.7
484.22571	4.3
487.21426	6.8
491.20749	16.6
501.22827	3.6
502.23306	13.0
506.26636	4.0
533.25684	3.7
534.26196	17.9
561.25293	4.5
562.25122	5.4
571.23102	7.3
575.26691	24.8
603.25897	12.8
605.61658	3.3
621.26868	40.4
635.28613	45.0
653.19983	4.4
653.29626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41636	0.8
83.93643	0.7
86.09704	0.9
154.92857	0.9
179.50661	0.8
181.40816	0.9
295.36862	0.7
296.85620	0.9
552.01221	1.0
653.36493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60717	1.5
58.98565	1.2
67.05481	2.2
77.23798	1.3
81.07041	2.2
93.07025	2.1
95.08600	2.2
95.09230	1.6
136.32901	1.6
183.69765	1.6
202.70590	1.5
209.10568	2.5
223.12285	6.1
224.13022	1.6
225.13797	6.5
234.11378	1.5
237.10159	2.0
237.13852	1.7
249.10168	6.2
269.12881	1.9
293.12823	1.8
366.16000	1.8
383.30542	1.5
415.15094	2.5
429.16739	3.0
431.18341	6.1
444.19418	2.7
445.19778	3.6
446.20499	2.9
447.21463	3.3
459.22159	3.0
475.21054	3.5
487.21265	12.5
501.22754	7.5
515.20453	2.7
519.23676	3.5
529.21814	5.3
533.24878	3.6
561.24927	100.0
589.24286	6.1
621.27002	92.5
653.40582	6.8
684.07501	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31216	1.4
52.10436	1.8
54.81434	1.5
69.27094	1.7
69.32842	1.6
74.44241	1.5
79.05464	2.3
94.91663	1.8
116.40229	2.1
151.21355	1.7
170.02980	2.1
309.24847	2.4
403.19498	3.2
404.20062	7.8
405.20590	21.0
417.20636	1.9
419.22275	12.9
420.23080	3.3
433.23883	15.8
434.24838	4.0
449.19656	3.6
450.20416	2.6
463.21234	11.7
464.22049	2.5
465.22876	2.9
475.22070	2.1
477.22629	7.6
478.23364	3.8
479.24347	46.2
487.21280	4.0
501.22705	3.4
502.24057	2.7
507.27560	28.1
519.23798	3.3
533.25635	2.7
536.24072	2.3
537.24878	11.8
551.26337	42.2
561.25208	9.1
565.28174	22.9
566.28735	71.9
593.27563	8.3
621.26855	11.5
647.46472	2.2
653.29584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2966
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.05499	3.0
55.85157	2.2
71.38333	2.3
77.36232	2.4
92.09315	8.9
109.30441	2.4
167.51057	3.4
220.23352	3.1
331.80899	3.4
376.48230	3.3
391.19138	4.5
405.20590	15.6
406.21442	10.7
420.23117	6.3
421.23825	12.1
433.19601	5.8
452.22519	3.9
465.22778	63.8
479.24402	13.3
488.21124	3.5
503.24341	52.7
535.26965	43.8
544.27429	2.9
551.26373	4.5
579.25842	48.7
594.28070	15.2
621.26440	19.5
653.29572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81411	2.7
63.00936	1.9
64.93954	2.4
67.05492	2.6
81.07053	3.8
89.06013	5.2
91.05427	2.4
93.06989	2.3
94.85587	2.4
107.08619	3.0
111.90836	2.4
126.83397	2.4
209.10619	3.2
215.54327	2.6
221.10838	3.6
223.12408	3.5
225.13940	4.4
237.13908	3.1
401.17920	3.0
431.18353	3.1
434.90976	2.7
443.18036	3.3
445.20502	6.0
459.21921	9.2
475.21210	3.1
487.21036	11.7
519.23749	3.4
529.21936	9.9
533.25183	4.0
561.24933	86.0
589.24060	5.2
621.27057	100.0
653.43231	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	653.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
60.47975	1.6
64.81527	1.7
67.05485	7.9
69.07023	2.0
79.05464	3.0
81.07032	3.6
87.06184	1.7
93.07037	3.1
95.04955	4.3
95.08601	2.3
105.07015	3.9
119.08578	2.2
120.08072	2.3
135.69650	1.9
149.09654	2.7
209.10826	2.4
223.12164	2.8
225.13788	3.4
237.13881	3.5
247.12500	2.3
247.27043	1.8
249.10225	2.1
251.07909	2.2
275.19992	3.0
286.31079	2.2
293.21222	4.3
328.14645	2.4
337.12012	2.5
366.15897	2.2
403.19482	3.3
429.17529	3.2
444.19519	2.9
444.48785	2.3
445.20496	2.3
459.21533	2.4
475.21127	3.5
487.21338	17.7
501.22968	3.7
503.29092	2.7
519.23975	3.5
529.21820	2.8
533.25671	6.2
561.24866	90.5
563.45911	2.2
589.24457	3.5
601.28442	2.2
621.26904	100.0
653.31976	3.0
676.93616	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	653.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11032	0.2
60.81166	0.2
69.03411	2.6
76.05157	0.3
77.56111	0.3
79.05444	0.2
91.05438	0.5
94.06509	0.3
108.08064	0.3
112.03938	0.4
121.02804	0.4
124.07465	0.4
136.07524	1.3
137.06009	0.9
138.09134	0.5
150.05476	0.3
162.05458	1.2
180.06560	2.8
185.10760	0.3
186.11473	0.4
199.12244	4.6
200.13043	3.4
204.06427	0.3
217.09647	0.6
218.10490	1.2
225.10338	0.4
226.10944	0.6
227.11716	0.3
239.83228	0.3
241.13312	9.4
243.11244	1.3
245.09111	0.4
256.08801	0.3
258.13538	3.7
259.14365	100.0
260.14621	2.0
260.64841	0.3
261.14917	0.3
263.10419	0.3
285.09192	0.4
285.12164	4.1
289.11737	0.7
305.11258	0.6
320.17532	0.6
321.17953	0.4
322.15665	0.4
349.71927	0.4
350.14859	0.6
351.15756	0.4
352.20117	0.4
362.18613	0.3
364.16513	0.5
365.17261	2.0
366.14212	1.3
366.18149	1.0
367.19125	0.4
368.15967	1.4
380.15152	0.6
380.19632	9.8
381.20242	0.4
382.21185	58.8
383.10825	0.5
383.21500	1.5
384.21881	0.3
406.17374	0.6
408.19058	2.2
412.15027	0.6
425.19379	1.7
426.20154	31.9
427.20242	0.6
452.17828	1.1
456.21216	22.3
482.19009	2.8
549.23291	0.3
592.46143	0.3
623.27167	5.0
635.26007	1.1
652.26752	0.7
653.28021	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	652.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.2
55.01864	25.3
55.05508	80.5
64.11411	5.9
64.32850	5.5
67.05500	84.5
69.07071	44.9
71.05000	5.9
79.05495	63.9
81.03408	12.0
81.07046	98.4
83.04960	12.5
83.08621	49.9
91.05459	76.1
93.07039	88.3
95.04951	70.2
95.08601	52.9
97.06491	9.2
97.10177	7.6
105.07010	53.2
107.04944	36.8
107.08573	39.7
109.06509	13.0
109.10156	12.3
111.08045	6.2
117.07013	23.8
119.08578	63.6
121.06407	7.0
121.10136	39.5
122.47150	6.1
123.07990	6.9
129.06969	12.5
131.08572	38.4
133.10132	38.1
135.08009	10.6
135.11678	9.4
136.18999	6.3
137.09599	9.6
145.06493	7.1
145.10092	40.3
147.08073	11.4
149.09546	45.9
159.11678	9.9
161.13260	6.4
162.85464	6.4
163.11154	35.1
169.10150	6.8
183.11613	6.5
189.11165	7.5
193.12221	56.8
223.13260	13.0
257.19012	13.1
275.20023	100.0
289.17923	32.4
291.19595	7.4
293.21121	72.4
401.73569	8.3
517.75854	6.7
527.57538	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	652.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.0
55.05505	44.3
55.05712	5.5
57.03403	5.3
64.87738	5.4
67.05488	68.7
69.07049	23.8
71.04970	6.2
79.05474	60.9
81.03412	6.5
81.07043	63.2
83.04929	5.8
83.08592	33.3
85.06524	5.9
88.44906	5.2
91.05446	50.6
93.07019	53.2
95.04946	34.6
95.08563	45.2
97.06493	28.0
97.10127	7.3
105.06998	48.8
107.04923	10.0
107.08605	37.5
109.06475	7.7
109.10112	23.9
111.08078	8.4
112.77309	5.3
117.06968	12.2
119.08544	49.8
121.10126	22.7
123.07982	10.9
131.08536	29.6
133.10103	45.9
135.08051	5.4
135.11624	9.4
137.09615	6.7
145.06410	5.9
145.10085	32.2
147.11655	20.0
149.09586	29.0
159.11626	20.5
163.11172	39.8
195.40379	6.2
197.13153	7.7
207.24835	5.3
239.17909	10.0
241.98141	4.9
257.18954	6.2
269.94525	5.2
275.20007	100.0
289.10544	8.8
291.19452	6.6
293.20901	47.9
307.22366	8.2
429.71582	5.8
561.47034	6.0
652.40198	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	652.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.0
55.05505	44.3
55.05712	5.5
57.03403	5.3
64.87738	5.4
67.05488	68.7
69.07049	23.8
71.04970	6.2
79.05474	60.9
81.03412	6.5
81.07043	63.2
83.04929	5.8
83.08592	33.3
85.06524	5.9
88.44906	5.2
91.05446	50.6
93.07019	53.2
95.04946	34.6
95.08563	45.2
97.06493	28.0
97.10127	7.3
105.06998	48.8
107.04923	10.0
107.08605	37.5
109.06475	7.7
109.10112	23.9
111.08078	8.4
112.77309	5.3
117.06968	12.2
119.08544	49.8
121.10126	22.7
123.07982	10.9
131.08536	29.6
133.10103	45.9
135.08051	5.4
135.11624	9.4
137.09615	6.7
145.06410	5.9
145.10085	32.2
147.11655	20.0
149.09586	29.0
159.11626	20.5
163.11172	39.8
195.40379	6.2
197.13153	7.7
207.24835	5.3
239.17909	10.0
241.98141	4.9
257.18954	6.2
269.94525	5.2
275.20007	100.0
289.10544	8.8
291.19452	6.6
293.20901	47.9
307.22366	8.2
429.71582	5.8
561.47034	6.0
652.40198	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	653.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22627	0.9
53.44357	1.0
63.17757	1.1
65.21527	1.4
67.05494	1.7
68.07315	1.1
68.61279	1.2
69.03406	2.4
70.06590	1.6
77.77361	1.2
79.05463	1.4
81.03396	1.9
83.04958	1.3
91.05450	4.9
91.13531	1.1
93.07042	1.9
94.06541	1.1
95.08576	2.1
99.04432	1.7
105.06992	2.4
107.04900	1.3
119.08562	2.9
122.05988	4.4
122.09653	1.6
124.07542	1.4
127.03838	2.1
131.04875	2.0
133.10121	2.4
136.07539	5.2
137.05956	6.7
138.09087	5.5
153.01849	1.6
157.33429	1.3
161.05902	1.4
164.07033	7.9
174.09138	1.5
175.14848	1.8
180.09195	1.1
182.15305	1.6
185.06996	1.6
186.07813	2.2
187.08623	5.0
199.04982	5.4
203.08096	2.8
207.04570	1.4
210.11224	1.7
213.06564	1.5
215.08083	5.9
217.06140	2.4
217.09685	1.8
218.06874	3.0
231.07693	1.6
233.09201	3.0
235.10873	1.7
257.09204	1.8
259.07098	10.2
261.08569	6.3
263.10168	2.5
270.60291	1.2
273.12061	1.3
275.06610	1.8
277.08139	100.0
285.08688	2.6
285.12134	1.7
287.10126	2.2
299.10184	2.4
301.11703	6.0
305.11282	4.8
318.11801	1.5
331.09149	4.6
331.13077	1.4
334.15503	1.4
338.14954	2.0
348.13254	6.1
362.14911	6.1
376.12732	1.8
377.13440	1.6
378.17978	6.0
380.19745	5.1
382.13803	5.6
383.80545	1.4
389.13577	1.3
390.14127	4.5
391.15128	16.4
394.17496	1.6
404.15875	8.0
406.17551	50.6
414.16492	18.2
421.12851	1.4
422.16919	4.7
424.18362	2.3
450.16400	10.7
452.18350	1.7
468.17630	34.1
474.30820	1.3
498.18533	17.3
605.26050	11.1
607.27032	1.7
635.27020	72.1
653.28210	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23067	0.6
53.00284	0.6
67.05487	0.8
69.03407	1.1
71.91559	0.7
77.22377	0.7
79.38123	0.8
81.03387	0.8
85.02876	0.8
91.05424	1.1
97.06527	1.8
98.20220	0.7
105.07076	0.7
121.06536	1.0
122.06019	0.8
123.08085	0.9
124.07549	1.2
127.03894	0.7
129.06908	0.7
131.04878	1.2
136.07515	1.7
137.05936	4.4
138.09116	1.1
146.09596	1.0
153.01772	0.7
164.07011	0.8
164.10767	1.2
176.10713	1.0
177.09096	0.9
185.07085	4.2
186.07933	3.0
187.08636	5.7
192.10208	1.6
199.04979	5.9
200.05727	1.7
203.08156	0.9
204.10085	0.9
205.09857	0.9
213.06589	2.9
214.07349	1.3
215.08170	5.8
217.06158	4.6
218.06892	4.4
231.07631	3.1
233.09265	4.2
245.09070	1.0
247.07146	1.0
251.10072	1.0
259.07068	9.3
260.07913	0.8
261.08658	1.6
271.10556	1.0
275.06555	2.8
276.07382	1.2
277.08139	100.0
278.08566	1.3
285.08664	1.1
285.12222	1.6
287.10266	1.0
299.10159	3.6
301.11804	4.0
305.11456	0.9
312.17053	0.8
315.13171	0.8
319.16818	1.2
331.09085	1.3
331.12796	0.9
334.11893	1.1
334.15475	1.0
334.19193	1.2
338.14941	2.8
344.13892	0.9
346.15414	1.4
347.12396	1.0
347.16330	1.7
348.13358	6.2
349.14172	1.0
362.11221	1.2
362.14957	6.9
362.18765	1.1
363.15802	1.7
376.12875	5.0
377.13647	1.2
378.18066	7.6
380.19443	3.3
382.13837	7.1
383.15097	1.0
390.14392	3.7
391.15201	17.5
394.17706	0.9
404.15933	6.7
405.16693	1.6
406.17551	49.3
407.17773	1.2
414.16452	17.4
421.12704	1.3
422.16849	1.8
424.18564	3.2
432.15231	1.0
442.19470	1.2
450.16473	10.9
451.17209	1.2
468.17523	32.4
498.18600	22.5
516.19666	4.6
605.26062	11.6
635.27075	60.6
636.27570	1.0
653.28119	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	652.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.4
54.00935	1.2
54.77325	1.4
55.01867	14.6
55.05509	25.4
57.03432	9.3
57.07076	1.7
57.72132	1.3
61.02917	2.1
67.01865	1.6
67.05497	53.4
69.03419	23.0
69.07060	24.3
69.63628	1.4
69.64013	1.4
71.04987	9.7
73.02915	2.3
76.37993	1.5
78.27476	1.6
79.05481	40.6
81.03408	60.3
81.07042	100.0
83.04962	11.6
83.08601	18.3
85.02885	21.0
85.06509	5.8
86.61332	1.3
91.05467	40.5
93.07029	46.2
95.04945	18.5
95.08586	42.0
97.02876	30.4
97.06511	11.5
97.14778	1.4
99.04450	11.1
99.08074	3.8
99.87365	1.4
101.02374	1.9
103.05454	2.9
105.07014	45.6
105.07662	2.5
107.04928	18.5
107.08567	28.1
109.02869	87.5
109.06507	30.6
109.10152	18.4
111.04415	6.3
111.08073	3.0
117.07005	20.5
119.08569	35.3
121.02911	1.7
121.06454	13.2
121.10143	17.4
123.04446	2.1
123.08061	16.5
123.11717	9.5
125.02341	6.2
125.09604	2.3
127.03902	54.1
128.06189	1.6
129.06992	9.4
131.04926	3.4
131.08560	21.9
133.06474	6.6
133.10121	23.7
135.04443	2.2
135.08047	9.9
135.11687	10.3
137.05936	2.6
137.09596	6.3
141.06967	1.6
143.08589	8.8
145.06514	5.8
145.10109	18.8
147.08070	9.8
147.11670	21.7
149.09637	13.6
149.13235	9.1
151.11166	1.8
155.08577	3.4
157.10152	10.0
159.08064	7.8
159.11630	14.7
160.38329	1.7
161.09636	10.7
161.13190	1.8
161.44232	1.8
163.07538	6.3
163.11183	9.6
165.09106	3.3
165.12712	5.9
169.10120	9.3
171.08044	3.5
171.11674	7.2
173.05956	1.8
173.09618	7.3
173.13263	7.3
175.07573	1.7
175.11177	3.6
177.09109	3.1
177.12672	2.1
183.11699	2.3
185.09605	2.3
185.13225	2.6
187.11234	1.9
189.09138	3.2
191.10611	3.2
191.14317	2.9
193.12212	1.8
197.13281	2.7
209.15262	2.0
229.14301	2.7
229.19514	1.7
253.12140	1.8
257.18936	3.8
265.21747	2.0
273.18466	8.3
275.20007	96.6
283.15347	6.3
291.19489	8.5
293.21100	43.6
299.60165	1.6
329.20557	1.6
330.20590	1.6
335.22177	2.2
355.22620	2.4
365.21161	6.0
371.22162	2.3
383.22125	19.2
401.23236	40.1
419.24289	27.7
423.24460	1.9
437.25296	52.0
455.26395	7.3
528.00757	1.6
648.02844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01633	1.2
55.01864	11.8
55.05504	36.2
57.03416	5.0
58.96761	0.8
65.03923	1.2
67.05495	28.2
67.07318	1.0
67.14257	0.9
69.03422	1.4
69.07059	11.5
71.04971	2.5
77.24115	0.9
79.05006	1.3
79.05474	50.5
81.03411	9.3
81.07039	72.0
83.04964	12.3
83.08603	23.2
84.13442	0.9
85.02913	1.4
85.06503	2.5
91.05450	28.1
92.08583	1.1
93.07027	34.7
95.04942	27.8
95.08591	14.1
97.06514	6.9
97.10158	25.1
103.05441	1.5
105.07015	22.2
107.04938	13.0
107.08575	24.4
109.06503	15.6
109.10150	10.9
111.04417	11.0
111.08065	7.1
115.05415	1.5
117.07005	17.4
119.04891	1.3
119.08563	35.4
121.06477	11.6
121.10143	11.2
123.04441	1.5
123.08053	17.7
125.09599	15.1
127.28647	1.0
128.06190	2.3
129.06995	8.8
129.87825	1.2
130.07813	1.4
131.04890	1.3
131.08553	15.6
133.06458	5.2
133.10089	9.2
135.08029	7.0
135.11642	11.0
137.09554	4.6
141.32365	1.1
143.08519	6.9
145.06430	2.4
145.10091	17.9
147.08008	18.8
147.11661	2.7
149.09633	8.5
153.09094	5.5
153.12772	2.7
155.08556	1.4
157.10088	7.9
159.08005	1.8
159.11656	7.3
161.09555	7.8
161.13249	1.3
162.39259	1.1
163.11166	16.5
165.09058	5.1
169.10092	1.7
171.11638	2.7
172.95067	1.6
173.09639	4.4
173.13176	1.4
175.11111	3.9
175.14862	1.4
181.12218	5.2
185.13161	1.7
189.11150	10.4
189.12662	2.6
191.10631	2.7
193.12257	1.3
197.54716	1.1
209.11613	1.4
223.13211	6.4
227.12816	4.7
227.17912	1.3
245.18951	4.6
249.14803	6.6
249.18590	1.5
255.17368	4.8
273.18411	38.8
291.19489	100.0
309.20456	10.0
345.19635	1.2
434.07458	1.2
545.35687	1.4
581.38037	6.9
599.38959	1.3
652.40527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	19.4
57.03436	6.1
57.07063	12.9
61.02912	19.1
67.05492	83.5
69.07056	21.7
71.08601	3.8
73.02891	5.1
74.95222	2.2
77.82202	2.5
79.05473	28.2
81.06614	3.5
81.07035	100.0
81.07473	3.9
83.08605	13.1
85.02881	14.1
85.06509	3.2
88.40952	2.6
91.03928	17.2
91.05452	21.4
92.08618	4.5
93.07007	22.3
93.67974	2.9
95.08585	69.0
97.02872	4.0
97.06511	5.8
97.10146	9.2
100.40669	2.5
105.07011	18.1
107.08574	12.0
109.10155	27.1
119.08559	18.8
121.10137	19.8
123.11695	15.2
123.74118	2.8
127.11152	3.1
133.10085	23.4
135.11684	15.6
137.13248	12.2
147.11736	12.7
149.13280	4.2
151.14807	10.4
161.13229	10.1
174.39674	2.4
217.19498	38.8
235.20493	51.5
309.24286	29.7
327.24915	2.5
399.73563	2.6
417.55212	2.9
550.18262	2.9
578.51825	2.3
651.36572	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	651.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72070	0.2
54.96331	0.2
66.05687	0.2
67.05486	0.4
85.86452	0.2
92.08675	0.5
93.06985	0.2
176.57018	0.3
317.07306	0.3
365.23096	0.5
377.18021	0.2
429.99973	0.3
461.44913	0.3
480.31998	0.2
517.48254	0.3
641.58618	0.3
651.44354	100.0
652.44421	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	651.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.3
62.80727	0.7
67.05503	3.1
69.07050	3.6
79.05481	0.9
81.07042	5.1
83.04996	0.8
83.08617	3.9
84.07743	0.8
88.26582	0.6
91.05479	0.8
93.07011	5.4
95.08571	5.2
107.08572	1.6
109.10155	1.2
119.08549	0.7
121.10165	2.8
131.08626	1.0
145.10068	1.1
259.27890	0.8
303.01962	0.8
309.20279	24.4
365.22800	11.6
402.83035	0.8
445.31174	0.8
594.67188	0.8
651.44452	100.0
652.45038	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	651.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.3
62.80727	0.7
67.05503	3.1
69.07050	3.6
79.05481	0.9
81.07042	5.1
83.04996	0.8
83.08617	3.9
84.07743	0.8
88.26582	0.6
91.05479	0.8
93.07011	5.4
95.08571	5.2
107.08572	1.6
109.10155	1.2
119.08549	0.7
121.10165	2.8
131.08626	1.0
145.10068	1.1
259.27890	0.8
303.01962	0.8
309.20279	24.4
365.22800	11.6
402.83035	0.8
445.31174	0.8
594.67188	0.8
651.44452	100.0
652.45038	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	652.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01870	1.2
57.03436	2.1
61.02911	4.4
64.32948	0.8
67.05489	1.4
69.03416	21.3
69.06998	0.9
71.04988	5.8
73.02898	2.1
74.80717	0.9
79.05477	2.0
81.03401	23.1
81.07021	1.7
83.01343	1.1
85.02888	80.3
91.05460	1.5
93.81322	1.0
97.02874	32.1
99.03768	1.0
99.04436	60.3
103.03924	100.0
105.07016	19.1
107.04956	1.1
109.02869	19.0
109.10168	1.1
119.15340	0.9
127.03894	93.0
133.06465	23.4
137.05962	27.1
145.04939	44.8
157.71391	0.9
163.05992	37.3
165.09084	48.0
165.10474	1.9
172.56537	1.0
176.12460	1.0
177.09177	3.6
271.08148	3.9
284.95605	1.0
286.15448	1.1
289.09155	4.4
307.10205	5.4
329.17401	3.6
382.72876	1.1
634.66138	1.1
640.92792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25039	0.2
65.83743	0.2
67.05460	0.3
68.06097	0.2
76.49342	0.2
79.05448	0.2
86.05647	0.2
92.09305	0.3
93.05726	0.3
94.06534	0.5
95.04910	0.4
107.04925	0.4
108.08125	0.3
113.96036	0.2
119.04907	0.3
122.05976	1.4
124.07549	0.6
136.03886	0.2
136.07533	1.4
137.05940	0.4
138.09155	0.2
139.12076	0.2
141.08656	0.2
147.04355	0.4
150.05437	2.0
152.06993	0.3
159.99997	0.3
160.53477	0.2
164.07091	2.0
178.04903	1.5
185.10738	0.3
190.08633	1.2
191.08006	0.3
199.12233	4.2
200.13026	4.6
202.08574	0.3
208.11156	0.2
213.13844	0.4
218.08095	0.8
218.10469	1.2
219.11237	0.3
225.10127	0.5
226.10957	1.1
235.10684	1.1
241.13309	12.9
243.11221	1.1
244.09512	0.3
244.11972	0.3
245.09079	0.3
257.12677	0.3
258.11038	0.4
258.13525	3.5
259.14374	100.0
260.14670	1.5
261.08655	0.9
285.12265	6.0
287.10004	0.3
289.11737	0.4
292.14578	0.2
305.11371	0.3
320.17419	0.5
324.16779	0.3
336.17096	0.3
350.14764	1.1
351.15594	0.4
352.20105	1.4
362.18417	0.4
364.16345	0.6
364.20285	0.4
365.17557	2.1
366.18069	1.3
378.17914	0.5
380.19641	10.5
381.20084	0.3
382.21185	54.0
383.21600	0.3
406.17563	1.1
408.19327	2.6
424.18588	0.3
425.19870	1.8
426.20163	26.4
427.20444	0.3
452.18073	1.5
453.16437	1.4
456.21219	23.3
457.21271	0.4
470.19403	0.3
482.19052	2.7
488.91727	0.3
496.17175	0.4
584.45148	0.3
603.23822	0.7
621.25183	4.2
633.25531	1.5
651.26477	33.1
652.26556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.1
53.41285	0.1
53.95805	0.1
55.01830	1.0
56.25588	0.1
67.05455	1.0
71.02426	0.2
78.04703	0.1
79.05448	0.3
80.04969	0.2
81.06993	0.1
91.05453	1.3
93.05737	0.3
93.06987	0.9
94.06530	2.0
96.04442	0.3
98.05984	0.2
103.05428	0.2
105.06956	0.2
106.06516	0.2
107.04918	0.2
108.04417	0.2
108.07439	0.2
108.08096	2.3
109.06464	0.1
110.06007	0.3
117.07033	0.1
119.04875	1.1
120.08078	0.2
121.06423	0.3
122.05996	4.6
123.06686	0.2
124.07526	0.8
134.05952	0.3
136.03914	0.2
136.07552	6.2
137.05899	0.7
138.09071	0.6
140.07008	0.2
147.04314	0.8
148.07484	0.2
149.07005	0.3
150.05431	1.5
152.06989	0.7
160.07567	0.6
162.05400	0.7
162.09090	0.3
163.08649	0.2
164.07025	9.0
171.09396	0.2
172.07553	0.3
174.09103	0.8
177.06575	1.3
178.04959	1.4
181.09657	1.9
182.08138	0.6
185.10616	1.1
186.11426	0.3
187.08603	0.3
188.07018	1.0
189.10161	0.3
190.08508	0.4
191.08121	2.0
196.06104	0.2
199.08571	0.6
199.12254	3.8
200.07054	0.6
200.09224	0.2
200.13031	3.8
201.06517	0.3
201.10123	0.6
202.08638	2.9
203.08125	4.8
204.06512	2.4
205.09663	0.3
213.10176	0.7
213.13861	0.3
215.08151	0.6
215.11717	0.4
216.10182	0.3
217.09676	2.3
218.08206	0.4
218.10464	1.1
219.11250	0.9
220.09616	0.8
225.10121	0.6
226.10980	0.8
227.08138	0.2
227.11705	0.3
228.06444	0.3
229.06035	2.1
230.08159	1.8
231.07602	0.6
231.11331	0.4
233.42271	0.2
235.10745	0.9
239.11705	0.2
240.12575	0.2
241.09521	0.6
241.13298	10.7
243.07539	0.9
243.11201	2.1
244.09753	0.3
244.11940	0.5
245.09135	4.6
245.12830	1.2
246.07558	0.7
247.10762	0.6
248.09113	0.7
257.09094	0.3
257.12827	1.2
258.11237	0.3
258.13583	3.2
259.14355	100.0
260.14706	0.4
261.08646	1.1
261.12460	0.2
263.10193	3.9
269.09122	0.3
270.13208	0.2
271.07028	0.9
271.10635	0.3
273.12155	0.3
274.12949	0.3
275.13785	1.0
277.08051	0.3
285.09113	0.3
285.12271	2.8
287.10226	2.6
288.08514	0.2
289.08264	0.3
289.11761	0.7
291.14948	0.2
292.14212	0.2
300.10837	0.2
301.11700	3.9
305.11267	4.7
306.15686	0.2
307.12918	1.3
313.08124	0.3
313.11673	0.3
315.09705	0.2
315.13257	0.2
318.16028	0.2
320.17401	0.5
322.15137	0.2
324.16949	0.2
336.17038	0.9
338.18588	0.2
348.17004	0.2
350.14948	0.9
351.15634	0.2
352.16431	0.6
352.20255	1.1
358.14948	0.2
362.18719	0.4
364.16440	0.8
364.20276	0.3
365.17465	1.5
366.18085	2.9
378.18109	0.4
380.19604	8.9
381.20172	0.3
382.21167	53.3
383.21454	0.6
404.15976	0.2
406.17456	1.1
408.19171	1.4
409.15894	0.2
410.17062	0.3
420.19086	0.8
424.18716	0.2
425.19626	1.3
426.20160	23.9
428.18237	0.3
438.20224	0.8
442.19513	0.3
450.16754	0.7
452.18079	1.9
453.16272	0.9
456.21210	20.5
468.17484	0.8
470.19122	4.8
482.19119	1.6
488.20139	2.4
496.16949	2.6
514.17627	0.2
541.24030	0.2
569.23425	0.3
587.24805	0.6
615.23779	0.6
621.25500	3.4
633.25421	6.6
651.26465	31.1
652.26874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
55.01868	8.9
55.05504	43.4
57.03429	6.9
67.05149	5.8
67.05493	83.1
69.07061	29.7
79.05470	87.9
81.03396	6.7
81.07040	100.0
83.04967	8.5
83.08617	20.7
85.02928	4.8
91.05463	44.0
92.87080	5.0
93.07030	77.2
95.04962	34.5
95.08594	44.8
97.06522	7.4
97.10154	27.6
105.07026	44.9
107.04945	8.9
107.08578	30.3
109.06499	7.6
109.10154	22.0
111.04415	6.5
111.08041	6.4
113.29263	4.3
117.07024	18.7
118.75211	4.4
119.08542	32.7
121.06558	5.2
121.10130	29.9
123.08031	24.8
125.09607	21.5
131.08549	17.1
133.10121	23.0
135.08066	6.4
135.11652	20.8
145.10100	18.5
147.08066	8.0
147.11679	7.6
149.09644	7.9
157.10097	5.1
163.11191	6.4
181.12247	5.5
184.07283	8.6
189.11218	8.0
227.12695	5.5
245.94194	4.9
273.18408	9.6
291.19427	45.1
307.22653	77.6
365.23236	7.3
380.11487	4.7
383.24213	6.7
487.52948	5.4
597.41229	23.8
615.42261	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	650.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.7
54.81887	2.9
55.01857	14.8
55.05503	29.5
57.03421	19.2
57.07057	3.2
65.03927	5.5
67.05490	60.5
69.07053	49.5
71.04977	3.9
73.06502	3.1
78.24345	2.8
79.05476	73.2
81.03394	18.4
81.07040	100.0
82.27587	3.6
83.04975	4.6
83.08625	6.7
85.02892	4.3
91.05473	45.5
91.77827	3.2
92.09389	13.1
93.07024	61.0
95.04922	18.0
95.08585	47.4
97.06503	13.4
105.07005	35.9
107.04915	3.3
107.08574	53.0
109.06479	13.0
109.10156	15.0
111.04414	3.0
117.06988	15.1
119.08584	33.7
121.06470	5.7
121.10114	20.7
121.47968	3.5
123.04386	3.3
123.08035	14.2
125.05930	4.6
125.09597	28.6
129.06938	6.0
131.08537	19.2
133.10107	17.5
135.08038	12.9
135.11713	4.8
137.09602	7.4
139.03690	3.1
143.07002	15.6
143.08545	7.4
145.10068	7.6
147.08035	16.8
149.09555	12.0
153.09111	32.0
157.10129	7.0
161.09575	7.5
163.11119	4.9
165.09056	6.3
181.08530	4.3
199.09587	4.8
199.14828	5.5
217.15820	18.1
227.14188	3.5
244.35550	3.4
245.15379	21.7
263.16342	21.5
335.25732	51.1
337.19952	18.7
355.21042	13.5
597.41327	7.7
615.41656	12.2
679.56506	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37054	0.7
55.05497	1.3
57.07066	1.1
60.02560	0.7
60.08158	9.7
67.05493	4.1
71.07353	5.5
71.08625	0.9
77.32397	0.8
79.05466	1.7
81.07037	5.4
83.35954	0.7
86.09697	49.3
91.05459	1.9
93.07022	2.0
95.04909	0.8
95.08611	1.6
98.98458	3.7
99.29308	0.7
104.10728	4.9
105.07035	1.3
109.10167	1.5
114.04723	0.9
119.08500	1.5
124.99988	36.6
133.10181	0.9
142.53282	1.0
145.10153	1.5
147.07899	0.8
149.09573	1.0
155.69321	0.9
178.52939	0.8
184.07320	100.0
239.10670	0.9
249.44212	0.8
291.19409	1.8
599.28802	1.0
650.43848	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	649.302
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
50.51810	1.6
52.81961	1.7
54.28358	1.6
55.82803	1.7
57.65641	1.9
65.92835	1.9
66.30925	2.0
67.05469	3.8
72.44814	1.8
75.28216	2.0
79.05460	2.7
132.37396	2.2
185.02650	2.2
403.19565	2.7
431.18542	2.6
445.20059	8.2
459.21683	9.9
460.22693	3.9
461.23517	8.4
473.19302	2.2
503.24106	8.9
547.26996	11.4
561.25293	3.2
589.27905	25.6
607.29095	3.3
626.00616	2.3
649.30109	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	649.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.8
55.05502	19.3
57.03421	14.8
57.07061	3.4
61.02909	23.4
61.13718	2.4
67.05494	87.2
69.03423	5.1
69.07053	13.2
71.04977	2.9
73.02905	6.4
79.05470	78.2
81.06325	2.7
81.07040	85.9
83.04960	3.0
83.08612	5.6
85.02887	23.7
85.06536	6.3
89.66560	2.3
91.03929	21.8
91.05450	36.0
93.07019	100.0
95.04968	4.9
95.08582	54.8
97.02866	16.5
105.06998	25.8
107.08578	39.5
109.06496	3.9
109.10159	36.6
117.07011	15.0
119.08546	25.8
121.10116	45.2
123.08036	3.1
123.11658	21.0
131.08517	35.0
133.10130	27.5
135.11670	45.0
144.09866	2.7
145.04921	4.7
145.10141	32.7
147.11653	19.4
149.09653	3.8
149.13229	29.8
153.75252	2.9
159.11688	24.6
163.05956	6.2
173.13245	16.4
187.14842	3.4
205.19569	3.5
215.17932	52.0
233.18961	48.0
251.15230	2.7
251.19876	3.8
267.33685	2.9
307.22675	17.5
325.23615	17.1
394.72714	2.8
443.28555	2.9
469.27872	4.1
574.00983	3.3
649.34991	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	649.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00683	0.3
66.18139	0.3
92.08597	0.6
94.06550	7.2
95.04999	0.3
122.05995	9.9
123.06811	0.4
124.07578	1.1
124.63056	0.3
127.03845	0.4
136.07675	0.4
138.09114	20.4
146.06004	0.6
162.05522	0.3
171.09212	0.3
174.05589	0.5
182.08284	0.5
183.09142	1.4
184.09851	0.7
185.10739	2.7
187.08815	0.4
195.09120	0.7
196.07652	0.4
196.09886	0.6
197.07028	0.5
197.10725	1.5
199.08662	0.5
200.09346	0.5
201.10220	0.6
203.75713	0.3
206.08281	0.4
209.10687	2.7
210.07779	0.7
211.08586	3.0
211.12257	3.2
212.09410	1.4
213.10167	2.4
215.08148	2.1
215.11592	0.4
218.04507	0.3
221.10628	0.6
222.07626	0.4
223.08643	3.0
224.09349	1.9
225.06635	0.5
225.10217	5.7
227.08224	0.7
227.11792	0.7
228.08864	1.7
229.09703	0.7
235.08598	0.6
237.10181	19.1
238.10976	2.7
239.08180	2.3
239.11725	9.1
240.08818	0.5
241.09618	2.6
242.06862	0.4
243.07504	0.4
247.08749	0.5
249.10150	1.3
250.07397	1.4
251.08096	7.2
252.08800	2.9
253.06923	0.7
253.09653	18.3
254.10175	0.4
255.11272	2.0
257.09158	0.6
257.12762	1.4
259.14276	1.2
265.09659	31.4
266.10379	4.7
267.07654	3.6
267.11206	26.8
268.08383	1.5
268.11789	0.4
269.09119	3.7
270.09949	1.5
271.10733	1.4
273.12350	0.4
277.09711	1.2
278.06683	0.7
279.07513	4.5
280.08350	4.5
281.09164	17.7
282.09750	0.5
283.07388	0.5
283.10657	3.4
284.11505	2.2
285.09357	0.6
285.12329	7.5
286.12872	0.7
288.10989	1.8
293.09143	37.9
294.09921	4.8
295.10715	18.3
296.11356	1.8
297.08572	2.1
297.11868	0.5
298.09399	0.6
299.10205	1.7
301.11737	0.6
302.12534	0.7
307.07361	0.4
311.06665	0.5
311.10217	16.4
312.10867	4.1
313.11755	17.1
316.10291	1.4
321.08630	22.6
322.09473	4.4
323.10162	2.1
325.07990	0.5
325.11591	0.5
329.11288	2.9
339.09683	100.0
340.10358	8.0
341.11234	16.5
342.11331	0.4
344.13629	4.0
353.11230	0.5
357.10712	7.1
359.12115	0.6
371.12277	19.3
372.13071	20.8
373.13751	4.2
388.12009	0.4
389.13333	40.6
390.13730	0.6
462.16449	0.4
464.17975	0.5
555.25616	0.6
581.23865	2.6
598.27795	0.4
599.15704	0.4
599.24951	10.9
603.28162	2.2
631.27490	24.0
632.27863	0.6
649.27954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25480	0.4
55.30000	0.4
67.05507	0.5
69.03399	0.4
79.05466	0.4
81.07084	0.4
91.05470	0.6
93.07025	0.6
94.06545	6.5
95.08608	0.4
105.07026	0.5
108.04431	0.4
122.06018	10.1
124.07623	0.4
126.08976	0.4
134.05972	0.6
138.09119	15.7
140.62698	0.4
146.05940	0.8
147.04404	3.4
148.04785	0.9
161.17070	0.4
166.05098	0.5
170.10045	1.2
174.05481	0.6
178.04958	1.7
183.09166	0.8
185.10669	2.4
196.09944	0.6
197.10765	1.4
199.08592	0.4
200.09424	0.8
201.10255	0.7
204.06488	0.7
209.10742	2.2
210.07637	0.4
210.11508	1.7
211.08731	3.3
211.12260	3.5
212.09425	1.6
213.10220	2.7
215.08218	2.3
215.11833	0.6
219.09117	0.5
221.10695	0.7
222.07687	0.7
223.08644	3.3
224.09175	2.8
225.10197	5.6
226.08698	0.5
227.08105	2.1
227.11644	1.4
228.08926	1.8
229.09659	1.6
231.04308	0.4
235.08540	0.5
237.10190	21.7
238.10934	4.7
239.08054	2.3
239.11740	10.5
241.09630	2.7
242.06834	0.5
242.10355	0.4
243.07608	0.7
243.11412	0.4
247.08669	1.4
248.09268	0.5
249.10188	2.2
250.08302	0.6
251.08101	6.3
252.08876	3.9
253.09679	17.5
254.10379	0.6
255.11220	2.0
256.11862	0.5
257.09293	0.5
257.12796	1.8
259.14426	1.5
264.08853	0.7
265.09677	37.4
266.10452	5.6
267.07819	2.4
267.11218	30.1
268.08502	0.8
268.11978	0.5
269.09183	4.4
270.10083	0.6
271.10706	0.6
273.15829	0.5
274.12924	0.5
277.09781	0.7
278.06821	0.8
279.07523	4.8
280.08301	5.7
281.09158	15.1
282.09863	1.3
283.10764	3.9
284.11395	1.8
285.09125	0.7
285.12277	8.4
288.10992	1.7
293.09152	47.1
294.09860	5.6
295.10724	21.8
296.11377	0.9
297.08636	2.2
297.12253	1.4
299.10269	0.9
301.11569	0.5
302.12692	3.1
311.10229	19.3
312.10901	4.1
313.11749	15.4
316.10611	0.8
321.08658	27.2
322.09369	4.4
323.10239	2.1
325.08200	0.8
325.11606	0.5
329.11261	2.7
339.09711	100.0
340.10352	6.2
341.11285	15.4
344.13605	7.0
353.11142	0.5
357.10748	7.4
359.12521	0.5
371.12323	22.7
372.13098	17.2
373.13937	3.2
388.11893	0.7
389.13370	47.0
390.13470	0.7
501.26291	0.5
502.26956	0.5
555.25946	0.6
581.23975	3.6
599.24976	8.8
603.27771	2.5
631.27533	17.8
632.28040	0.5
649.29193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28656	0.3
55.01862	0.5
59.04988	0.6
61.02899	0.4
67.05482	0.6
79.05490	0.6
81.03390	0.5
85.02895	0.5
87.04449	1.0
91.05455	0.7
92.08617	0.8
93.06962	0.5
94.06550	4.5
107.45258	0.4
119.04877	0.6
122.06014	6.5
127.03865	0.6
131.04881	0.6
137.05946	2.3
138.09135	12.7
145.04944	0.4
147.04402	0.6
174.56110	0.4
179.07210	0.5
179.90468	0.5
185.10722	1.1
192.06682	0.6
197.10750	0.6
201.10193	0.9
204.06583	2.0
209.10703	1.1
211.08580	1.9
211.12248	1.7
212.07072	0.4
213.10165	0.8
215.08226	1.1
220.05875	0.6
222.07657	0.5
223.08521	1.0
225.10202	2.8
227.08112	0.5
228.08867	1.8
229.09676	0.8
237.10191	15.6
238.10925	2.6
239.08180	1.1
239.11656	5.7
241.09625	3.9
242.10371	0.5
247.08633	0.8
249.10297	0.9
250.07303	0.9
251.08105	3.6
252.08849	1.8
253.09685	7.9
255.11221	1.8
257.09280	0.7
257.12756	2.1
260.54376	0.5
261.08496	0.7
264.08905	0.7
265.09677	36.6
265.20203	0.5
266.10498	3.4
267.07742	2.4
267.11224	23.6
269.09174	6.6
271.10760	0.9
273.12332	0.6
278.06876	2.3
279.07462	3.2
280.08362	5.8
281.09161	7.5
282.09915	0.5
283.10675	5.6
284.11514	0.6
285.09152	1.3
285.12323	6.7
288.11026	0.7
292.08551	0.6
293.09167	57.3
294.09714	3.5
295.10687	18.3
296.11469	0.7
297.08655	1.1
298.09497	0.6
299.10278	0.7
301.11630	0.6
302.12573	2.5
311.10147	10.7
312.11063	0.8
313.11740	10.2
316.10687	0.5
321.08655	30.2
322.09232	0.9
323.10141	0.7
329.11319	5.6
330.12061	2.6
339.09705	67.0
340.10471	4.7
341.11194	5.1
344.13583	2.5
345.10739	0.7
357.10632	7.0
359.12234	0.9
371.12338	7.2
372.13095	10.1
389.13361	100.0
390.13620	3.0
599.24695	3.0
631.27435	10.6
649.27582	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01861	1.8
67.05486	5.7
69.07056	1.2
70.06570	1.1
75.99113	0.9
79.05461	1.6
81.07061	1.2
84.04509	1.0
85.02894	1.7
87.04443	3.8
89.06003	1.5
91.05470	2.0
92.08595	1.0
93.07034	5.0
94.06558	32.4
95.04955	1.9
95.07320	3.8
95.08646	1.0
96.08097	1.6
97.02859	1.1
100.62659	0.9
103.31829	0.9
105.07038	1.1
108.04472	4.4
108.08079	1.6
110.06029	1.4
110.09670	10.0
120.04404	1.0
120.08092	6.8
121.06465	1.2
122.05115	1.6
122.06004	46.7
123.06738	1.5
124.07569	1.4
127.03846	1.5
131.04927	1.1
134.09607	1.7
136.07568	3.7
136.11189	1.5
137.05934	6.8
137.09660	1.2
138.05447	2.3
138.09126	100.0
140.07120	1.4
145.08841	1.1
147.04369	1.9
148.07555	2.0
150.05460	1.8
150.09158	1.2
152.10626	1.1
158.09622	1.1
162.05467	1.8
164.07063	4.4
168.06534	5.3
174.09227	1.1
184.07593	1.1
186.09076	1.2
186.12820	1.6
188.10707	2.0
189.52373	1.2
192.06557	1.8
199.08517	1.2
201.10304	1.5
203.15511	1.2
211.08620	1.8
212.07060	1.0
212.27284	1.0
214.12259	5.7
215.08058	1.5
215.11760	1.9
217.09549	1.1
223.08748	1.0
224.08981	1.2
225.10182	5.8
226.08646	1.5
227.08162	1.2
227.11632	2.0
229.09720	5.4
229.13379	1.1
231.14891	5.7
239.11772	4.5
240.06483	1.0
241.09686	5.2
241.13295	1.5
242.11917	2.0
243.07425	1.3
243.11252	7.1
244.12093	1.6
253.09705	6.7
254.08047	2.0
255.07704	1.4
255.11121	1.3
257.09232	4.2
257.12738	7.6
259.14395	24.2
267.11218	13.0
268.09619	1.3
269.09167	10.9
269.12680	1.1
271.10928	9.2
273.12109	1.2
275.10181	1.2
281.09085	4.0
283.10703	1.7
284.09128	2.0
285.08997	1.9
285.12378	7.5
295.10696	5.1
297.12186	2.0
299.10172	3.4
311.10168	1.5
313.11664	20.2
315.09589	1.5
315.13315	4.1
317.10892	1.2
323.10309	1.3
327.13028	1.1
329.11118	1.4
331.13004	6.9
339.09656	5.1
341.11337	13.9
357.10757	24.0
359.08206	1.7
359.12350	34.7
371.12228	2.0
373.13873	24.6
375.82361	1.2
391.14883	23.1
484.20541	5.2
494.18903	3.7
496.20554	8.8
528.23242	10.7
555.25586	1.4
599.24615	5.6
617.26093	23.7
621.29004	1.0
624.65771	1.0
631.27710	7.2
649.28632	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29167	0.3
70.06581	0.3
70.65917	0.3
72.08115	0.6
73.02897	0.4
77.01421	0.4
78.93133	0.4
79.05492	0.5
81.03410	0.5
85.02898	1.9
85.65669	0.5
95.04936	0.5
97.02859	0.6
97.06500	0.4
97.13850	0.3
105.07009	0.4
127.03931	0.4
137.05983	0.8
139.67070	0.3
147.04440	0.6
147.48093	0.4
161.06075	0.4
177.09035	0.5
185.04243	0.8
203.05287	2.1
259.08032	1.8
259.14401	0.6
325.16071	2.9
347.09521	1.5
365.10336	3.9
410.75140	0.4
421.13254	1.9
487.21384	29.5
587.59943	0.4
619.41406	0.6
649.26678	100.0
650.27087	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88045	0.4
55.01858	0.5
55.05517	0.4
56.30940	0.5
57.40757	0.4
62.89485	0.4
67.05482	0.8
70.06580	0.6
79.05431	0.5
81.03397	0.6
91.05448	1.0
94.06553	3.1
97.02932	0.7
103.24205	0.5
105.06984	0.9
108.04475	0.8
117.04082	0.5
122.06003	3.2
122.15730	0.5
136.07552	0.6
137.05943	0.6
138.09119	9.2
153.01820	0.6
164.07092	0.7
182.08374	0.5
183.09230	0.6
185.10718	0.7
187.08768	0.7
192.06494	0.6
197.07053	0.6
197.10767	0.6
200.09294	0.8
201.10095	1.1
204.06714	0.8
209.10765	1.2
210.18246	0.5
211.08737	1.3
211.12245	1.2
213.10272	2.0
215.08273	0.6
221.10725	0.6
221.59137	0.5
223.08679	0.7
224.09338	0.9
225.10231	3.0
226.07204	0.6
228.08871	1.3
229.09697	0.7
237.10194	14.7
238.10907	1.2
239.08083	0.8
239.11719	6.5
241.09738	2.4
243.07579	0.6
247.08601	1.0
248.07237	0.7
249.10175	0.7
250.07341	0.8
251.08119	2.8
252.08902	2.4
253.09653	6.5
255.11232	2.1
256.11990	0.6
257.09192	2.3
257.12823	1.0
261.08667	3.1
264.08899	1.0
265.09674	37.8
266.10364	3.0
267.07965	1.8
267.11227	23.4
269.09119	4.4
278.06824	1.1
279.07571	3.4
280.08377	6.0
281.09140	5.3
283.10733	4.3
284.11487	1.0
285.08652	2.7
285.12271	5.3
286.13120	0.7
293.09143	57.2
294.09784	0.6
295.10687	16.9
297.08771	0.8
302.12518	2.0
311.10153	10.0
312.10858	1.1
313.08365	1.2
313.11725	9.7
316.10059	0.6
321.08627	29.3
322.09210	0.7
329.11349	3.0
330.11887	1.2
339.09692	68.6
340.10333	3.2
341.11404	5.9
344.13388	1.2
357.10812	7.0
359.12399	0.8
371.12311	5.9
372.13065	9.6
373.13870	4.0
389.13354	100.0
390.13901	2.4
570.28186	0.6
599.25049	1.1
617.25879	0.8
631.27704	10.1
649.28284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74616	1.4
55.01863	3.1
55.05499	27.9
57.03405	3.3
57.07056	7.6
67.05490	59.6
69.03409	2.0
69.07053	45.9
71.04967	7.6
73.06562	2.0
79.05471	35.3
81.07039	90.1
83.04959	8.2
83.08607	31.0
85.06519	3.8
91.05457	17.8
93.07021	47.7
93.07576	3.5
95.04932	3.2
95.08586	100.0
97.06488	14.0
97.10153	12.1
99.08089	2.2
105.07010	16.5
107.08555	29.6
109.10152	43.6
111.08064	7.3
111.11715	4.1
117.07000	3.8
119.08573	15.3
121.10114	38.7
123.11703	13.7
131.08525	7.7
133.10081	19.8
135.04413	27.3
135.11668	21.2
137.09615	3.4
137.13220	7.1
139.11143	3.1
145.10101	11.2
147.11665	9.9
149.13240	12.4
151.11139	2.9
159.11673	4.3
161.13199	3.6
163.14871	2.0
189.61914	2.1
198.76627	1.8
215.17915	10.5
233.19046	15.3
251.19975	37.6
269.21014	17.2
310.17419	2.2
325.23764	7.2
327.25311	9.4
343.24908	3.8
396.00784	2.1
485.39688	8.4
497.52026	1.9
503.40857	23.5
521.41919	14.5
577.44208	12.9
595.45508	95.1
613.46088	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	648.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.5
55.05510	11.3
57.03426	1.3
57.07066	0.8
67.05489	19.5
69.07050	15.5
71.04971	1.6
77.33252	0.7
78.74460	0.7
79.05479	14.1
81.07041	24.8
83.04965	3.3
83.08597	10.2
85.06525	1.0
86.15186	0.8
91.05448	7.5
92.09353	0.8
93.07024	15.9
94.04193	0.8
95.04955	0.9
95.08588	29.8
97.06514	4.5
97.10159	1.9
103.05455	18.9
105.07013	7.5
107.04935	0.9
107.08573	8.0
109.10149	13.0
111.08077	1.5
115.05421	1.2
117.07014	5.5
119.04946	0.9
119.08523	6.2
121.06480	1.9
121.10106	14.1
122.03619	1.6
123.08026	0.9
123.11686	4.3
128.06200	7.0
129.06984	1.0
129.72107	0.8
131.04897	61.9
131.08562	3.8
133.06500	1.2
133.10103	3.9
135.11687	3.6
137.05956	44.5
137.09593	1.5
137.13129	0.9
139.11134	4.3
143.08536	13.6
145.06471	1.1
145.10098	3.6
147.08052	3.0
147.11703	1.5
149.09689	0.8
149.13278	1.1
151.07542	7.3
151.11205	1.5
159.11685	1.8
160.05211	1.1
162.06676	1.4
163.07509	100.0
166.82106	0.7
171.07997	13.1
173.13243	0.8
175.07513	20.3
177.09076	71.8
188.08318	1.0
191.10884	0.8
199.52527	0.9
203.04005	0.8
203.10628	12.6
205.12059	1.0
215.18025	1.2
221.11674	14.8
233.18980	6.9
249.18384	1.1
251.19995	21.9
269.21033	22.5
299.12729	1.0
327.15924	1.5
433.66974	0.8
471.30896	4.4
478.48752	0.8
489.31989	10.4
533.52997	1.0
534.04138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01859	7.4
55.05502	12.3
57.03430	29.1
58.93039	1.8
61.02917	3.2
64.86620	1.6
65.03918	2.5
67.05144	3.4
67.05489	76.1
69.03414	4.3
69.07056	22.7
71.04974	4.8
77.33461	1.8
79.05470	41.9
81.02938	2.8
81.03401	73.1
81.07039	74.5
83.04963	13.3
83.08605	17.2
85.02887	28.2
85.06531	3.1
91.05460	100.0
93.07023	82.8
93.89186	1.8
95.04942	12.0
95.08581	32.5
97.02905	3.1
97.06508	13.1
105.07001	18.8
107.04989	2.4
107.08572	27.7
109.06489	4.1
109.10158	21.4
111.08064	3.9
117.07017	14.0
119.08567	89.0
121.06487	7.7
121.10099	21.5
123.08077	3.3
129.06967	3.7
131.08554	13.1
133.10091	9.6
135.08026	4.1
135.11667	2.7
137.09586	38.5
145.10069	3.1
147.04366	2.5
147.08034	12.5
147.11757	1.9
149.13240	22.0
159.11679	4.2
165.09084	33.8
177.12688	2.7
183.10162	9.4
195.13791	4.8
239.12758	35.4
241.14340	2.8
257.13800	32.9
269.17441	59.1
281.32181	2.0
341.43317	2.0
433.25772	66.9
451.26794	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20359	1.5
53.03938	2.2
55.01868	7.8
55.05502	15.6
57.03424	28.6
57.07049	2.4
58.29090	1.7
61.02905	4.2
61.23671	1.6
64.06373	1.5
65.03926	2.6
67.05492	88.7
69.03407	7.0
69.07060	25.9
70.12544	1.7
71.01330	2.0
71.04993	6.7
79.05472	46.1
80.54099	1.7
81.03398	85.7
81.07033	77.0
82.67401	2.0
83.04982	17.5
83.08607	16.6
85.02881	23.3
90.56845	1.8
90.78465	1.9
91.05460	99.1
93.07023	80.1
95.04946	11.4
95.08584	46.2
97.02867	10.9
97.06496	9.5
97.10185	2.3
99.08078	2.3
100.85942	2.0
105.07001	20.0
107.04941	2.0
107.08577	35.9
107.74808	2.1
109.06489	2.5
109.10149	24.0
111.08070	10.9
114.54383	1.7
117.06995	14.8
119.04978	1.9
119.08556	100.0
121.06491	10.9
121.10118	19.6
123.08044	2.9
123.11609	2.3
129.07011	4.4
131.08563	8.8
133.10133	7.4
135.08055	4.5
135.11674	4.0
137.08640	2.7
137.09604	46.4
147.08025	12.1
149.13223	26.3
157.10187	2.3
159.11673	13.5
165.09097	35.3
165.59206	2.4
177.12839	2.4
183.10161	10.0
184.69753	2.1
195.13802	3.3
239.12756	31.2
241.14375	2.6
257.13788	38.0
259.17386	2.1
267.15991	2.6
269.17401	62.0
433.25772	77.7
451.26794	79.6
517.25470	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.72129	0.2
67.05483	0.8
69.07067	0.2
77.00900	0.2
79.05467	0.2
81.07039	1.0
83.08621	0.2
87.45110	0.2
91.05447	0.8
93.07025	0.4
98.55389	0.2
99.48799	0.3
161.05978	0.4
175.07471	0.2
201.09676	0.3
213.09886	0.2
215.11295	0.2
219.10840	0.4
239.11282	0.2
251.11270	0.9
257.12354	0.5
269.12323	2.2
311.12653	0.4
316.11002	0.2
317.20541	0.3
333.20157	0.9
334.20636	1.1
335.21866	100.0
336.22092	2.8
343.15399	0.4
353.21915	1.9
647.35645	0.5
670.68402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86923	0.3
51.69920	0.3
55.05479	0.6
67.05478	1.8
67.55776	0.4
79.05485	0.7
81.07029	1.0
91.05476	0.5
93.07021	0.5
95.04939	0.4
99.70944	0.4
105.07010	0.8
109.06474	0.5
121.10111	0.4
137.05907	0.5
241.40393	0.4
251.11255	0.5
269.12341	3.8
317.19513	0.5
324.92059	0.4
335.21857	100.0
336.22061	1.0
343.98285	0.4
350.49896	0.5
353.21667	1.9
547.34674	0.5
647.32971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01869	6.5
55.05510	30.0
57.03430	78.0
61.02909	8.4
67.05495	37.4
67.05846	1.8
67.11446	1.3
69.03422	7.8
69.07067	14.5
71.01340	7.5
71.04983	5.9
73.02905	2.5
79.05479	71.6
81.03401	72.2
81.03876	3.1
81.07043	40.0
83.04973	24.0
83.08604	43.9
85.02890	29.5
88.86407	1.2
91.03925	1.5
91.05465	41.1
93.07027	84.8
95.04955	26.5
95.08585	27.0
97.02892	5.5
97.06502	7.4
97.10163	2.9
98.91119	1.3
99.04414	2.1
99.08120	1.3
105.07014	27.2
105.52280	1.3
107.04948	11.8
107.08580	18.6
109.06524	7.7
109.10158	5.1
111.04515	1.2
111.08029	12.9
111.77451	1.2
113.05967	1.8
117.07014	1.8
119.08568	25.1
121.06516	2.4
121.10117	66.1
123.08062	6.7
125.09565	2.0
129.06975	14.3
131.08543	21.4
133.10124	13.4
137.05933	2.1
137.09616	2.6
137.46138	1.3
139.11171	14.7
142.07764	2.4
147.08006	5.6
147.11670	13.9
149.09604	16.6
157.10098	16.1
163.11359	1.6
165.12691	2.8
167.10667	11.5
175.07463	1.6
175.11188	17.0
185.11662	1.8
193.12210	40.5
211.13245	41.6
224.21382	1.4
241.14291	80.8
252.23053	1.6
267.15921	18.1
285.16885	22.7
407.24158	2.9
433.25888	45.6
451.26837	100.0
462.04898	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15788	0.6
52.14910	0.5
53.00296	0.5
53.03940	1.3
54.15787	0.5
55.01871	6.2
55.05508	31.3
57.03435	6.8
57.07057	3.2
65.03928	0.9
67.05497	61.7
69.03422	1.3
69.07058	37.2
71.04974	6.0
73.06532	1.2
77.79110	0.6
77.93746	0.6
79.05476	34.0
81.03391	2.9
81.07043	79.4
83.04977	8.2
83.08121	1.0
83.08607	29.9
85.06536	6.5
91.05470	16.7
93.07027	50.9
95.04938	3.8
95.08589	100.0
96.08883	0.6
97.06510	12.4
97.10150	9.4
99.08037	2.4
105.07024	9.9
107.08588	29.9
109.06516	1.3
109.10148	41.1
111.08076	8.1
111.11703	1.4
114.37767	0.7
117.07015	3.4
119.08572	12.1
121.09253	1.4
121.10130	38.1
123.08041	3.3
123.11692	10.9
125.09592	1.4
131.08542	13.2
133.10106	17.7
135.04366	1.0
135.11674	12.6
137.09586	4.8
137.13237	3.9
139.11163	9.5
145.10117	11.8
147.11679	6.9
149.09612	3.1
149.13237	7.3
151.11136	5.0
157.10123	1.0
159.11662	7.1
161.13170	1.5
163.11111	0.8
163.14816	1.0
165.22533	0.8
167.14246	2.7
169.12215	0.9
171.11584	0.6
173.13249	4.5
175.14758	1.2
177.12823	0.8
181.12166	0.8
187.13251	3.2
187.14789	1.4
189.16418	0.8
191.17809	1.0
195.13641	1.2
201.14803	3.1
203.12708	1.4
205.19450	0.8
215.16263	0.7
215.17990	10.7
233.18988	19.9
244.71661	0.7
251.20010	57.0
267.15833	0.6
269.18274	1.3
269.21057	27.9
287.22101	0.8
292.85590	0.7
325.23798	10.9
343.24765	19.2
465.37323	1.2
483.38266	5.9
501.39282	20.6
519.40405	17.7
537.41437	22.9
593.44165	11.2
611.45105	56.7
612.44647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01873	9.0
55.05506	46.7
57.03437	8.8
57.07057	1.5
67.05489	61.6
67.05853	2.0
69.03409	2.7
69.07054	53.4
71.04967	8.9
73.06506	1.5
74.32755	1.2
75.34494	1.1
78.60150	1.2
79.05477	43.6
81.03409	2.1
81.07038	93.7
83.04967	13.6
83.08602	43.9
85.06530	6.9
91.05447	14.0
93.07024	64.8
95.04950	2.6
95.08583	100.0
97.06504	16.7
97.10140	10.5
105.07018	16.7
107.08571	31.1
109.06496	2.5
109.10142	50.0
111.08073	10.4
111.11692	4.6
112.72875	1.1
117.07013	2.3
119.08546	11.3
121.10120	45.7
123.08011	2.4
123.11693	13.5
125.09643	1.9
131.08539	10.8
133.10089	19.4
135.11661	13.3
137.09567	4.7
137.13237	4.7
139.11174	14.5
145.10088	14.6
147.11678	7.0
149.09628	2.1
149.13252	8.2
151.11183	4.4
159.11659	6.8
161.06018	1.3
167.14331	2.8
173.13268	2.7
175.14798	1.4
179.96077	1.1
183.13660	1.4
187.13257	5.2
187.14803	2.0
195.13832	2.1
201.14914	1.4
203.12825	2.2
215.17963	9.7
233.18932	27.3
251.20004	61.6
251.42786	1.1
258.78702	1.3
269.21066	23.7
302.05502	1.3
325.23691	44.8
325.27490	2.1
343.24741	86.3
501.39279	7.1
519.40228	6.0
537.41046	4.8
542.19019	1.4
573.56439	1.3
593.44202	15.8
600.07062	1.3
611.45117	60.9
647.33777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.0
55.05278	2.5
55.05510	48.0
56.75703	2.2
57.03428	5.3
57.07066	2.0
59.05646	2.1
67.05493	59.0
69.03436	2.1
69.07053	50.8
71.04970	5.1
73.06497	2.1
76.56406	2.5
79.05481	46.5
81.03401	4.8
81.07039	86.1
83.04947	11.3
83.08611	34.4
85.06497	8.6
86.09705	3.9
91.05457	18.4
93.07024	65.2
95.04925	3.2
95.08587	100.0
95.09201	3.8
97.06509	12.5
97.10141	13.8
104.10764	3.1
105.06963	17.0
107.08581	29.0
109.10150	43.6
111.08047	5.6
113.52590	2.3
116.37949	2.4
116.42239	2.0
119.08549	15.2
121.10126	48.3
123.11658	12.1
131.08524	15.5
133.10054	17.1
135.11665	12.4
137.05934	4.0
137.09647	4.1
137.13176	4.1
139.11180	16.2
145.10078	5.1
147.11604	2.9
149.09543	2.6
149.13240	8.9
159.11595	4.5
163.07536	2.8
187.13258	3.5
187.14874	3.1
209.15404	2.6
215.17984	8.6
233.19078	15.6
251.20042	46.8
269.21106	24.4
325.23709	45.6
343.24777	59.0
501.39154	3.3
519.40570	3.4
537.40967	5.3
593.43896	20.3
611.44952	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.9
53.03938	2.4
55.01866	9.4
55.05506	36.5
55.05760	2.0
55.94753	0.9
57.03426	8.3
57.07042	1.9
57.21029	0.8
58.66524	1.0
59.04976	0.9
61.88712	0.8
65.03930	2.0
67.05493	64.7
69.03415	1.8
69.07056	47.7
71.04964	7.6
73.06549	1.9
79.05475	42.8
81.03390	2.0
81.07040	88.2
83.04971	10.8
83.08610	34.4
83.78574	0.9
85.06528	4.9
88.45628	0.9
91.05459	19.4
93.07027	60.2
95.04943	5.5
95.08588	100.0
97.06525	14.6
97.10155	9.5
99.08070	1.5
105.07025	15.2
107.08578	29.0
109.06513	2.1
109.10148	50.7
111.08073	8.7
111.11701	2.0
117.07021	2.1
119.08577	15.5
121.10123	45.0
123.08056	1.8
123.11694	12.9
125.09602	1.8
131.08549	13.8
133.10117	21.0
135.11682	16.1
137.09601	2.3
137.13240	5.5
139.11166	13.0
145.10121	13.8
147.11705	7.7
149.09599	4.1
149.13222	9.4
151.11163	5.0
159.11646	8.6
161.13260	1.5
167.14307	1.8
171.41531	1.0
173.13240	5.0
175.14752	1.7
181.12321	1.0
187.13214	1.5
195.13838	1.5
201.04840	1.1
201.14816	1.7
203.12744	1.3
205.19469	1.2
213.24442	0.9
215.17921	9.4
223.20625	1.2
233.18973	21.5
246.05890	0.9
251.20009	60.9
267.15884	1.5
269.21054	34.1
287.22275	1.4
289.00024	1.2
325.23810	8.7
332.29218	1.2
343.24704	11.9
465.37241	1.3
483.38254	6.2
501.39255	19.1
519.40375	13.4
537.41364	20.9
593.44135	11.2
611.45111	85.2
612.45337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
55.01846	0.3
55.05504	2.2
65.36297	0.2
65.83213	0.2
67.05489	4.4
69.07056	3.0
69.46046	0.2
71.04972	0.4
72.19550	0.2
79.05476	3.9
81.07030	6.3
83.04967	0.2
83.08618	1.7
85.06560	0.3
91.05451	1.6
93.07021	3.4
95.04922	1.0
95.08585	6.7
97.06499	0.9
97.10132	0.5
103.05497	0.3
105.03366	0.4
105.07011	1.9
107.08572	2.3
109.10131	3.8
111.08097	0.5
111.11712	0.3
119.04918	0.5
119.08566	1.0
121.10134	2.6
123.11707	0.5
129.64629	0.2
131.04895	1.6
131.08507	0.5
133.06494	1.0
133.10094	0.5
135.04391	100.0
135.11674	1.1
136.04736	0.3
137.05945	1.6
137.09584	0.3
137.13293	0.2
139.11169	1.0
145.10106	0.9
149.05925	0.5
149.13258	0.3
159.11601	0.4
161.05959	2.0
169.30183	0.2
179.06981	2.5
180.40125	0.2
195.95483	0.3
215.18007	1.0
233.18968	2.3
251.19997	7.9
261.11240	0.2
269.21045	9.7
301.03253	0.2
343.24664	0.4
363.76773	0.3
433.29169	1.6
451.30527	1.8
501.39261	0.4
519.40155	0.3
537.41089	0.8
611.45325	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.6
54.81639	1.5
55.01862	7.2
55.05506	35.4
57.03424	6.4
57.07065	2.3
61.49379	1.4
63.52965	1.7
67.05489	64.1
69.07053	43.9
69.67669	1.7
71.04964	3.8
74.76573	1.4
76.19766	1.6
77.38728	1.6
79.05469	33.3
81.03405	3.7
81.07035	94.7
83.04972	9.3
83.08602	30.6
85.06525	9.0
91.05463	39.6
92.08662	1.5
93.07014	52.3
93.07561	2.4
94.91399	1.5
95.04953	11.4
95.08581	100.0
97.06500	11.8
97.10157	8.0
103.05471	3.2
105.07023	18.3
107.04948	9.9
107.08562	27.6
109.06496	3.3
109.10143	45.8
111.08057	8.7
114.21196	1.5
117.07025	7.2
119.04902	13.9
119.08559	15.5
121.06506	3.7
121.10112	45.8
122.03618	6.4
122.61501	1.8
123.11700	10.6
128.06239	1.9
129.07007	17.2
131.04898	9.5
131.08540	15.9
133.06441	2.1
133.10123	16.6
135.08043	6.1
135.11653	12.1
137.05948	96.6
137.09604	3.4
137.13242	2.4
139.11160	9.6
143.04967	1.8
145.06502	2.9
145.10136	16.2
147.11679	7.7
149.06003	8.8
149.09605	3.4
149.13223	6.6
151.07516	78.3
157.06436	15.9
159.11716	6.9
161.05975	14.8
161.09612	4.0
163.07533	16.0
165.06981	7.9
165.09071	3.1
165.12747	1.9
167.08473	2.9
173.13301	3.1
174.06735	6.7
175.07533	7.0
177.09097	9.7
178.07771	2.7
179.08501	1.8
187.13197	1.9
189.09090	29.6
191.10658	8.4
193.06490	8.3
193.10097	10.5
195.07985	15.0
197.05797	2.0
203.08398	2.3
207.10204	8.9
209.09642	3.3
210.06847	7.3
211.07596	2.0
215.17990	11.0
221.05864	14.5
221.09518	18.3
223.07562	7.7
224.08205	2.3
225.09068	11.6
227.10599	18.7
231.17325	5.5
233.18929	21.8
237.08699	2.0
238.06114	2.1
249.09044	6.8
249.18451	10.2
251.19977	56.7
252.07910	2.6
253.08438	13.6
253.12186	26.6
255.06485	1.7
255.10101	14.0
267.10120	10.1
269.07910	2.8
269.21085	39.0
272.10391	2.5
281.11591	2.9
284.10483	1.9
285.11124	23.7
287.12686	23.8
313.14252	32.6
315.15958	10.1
331.15308	84.7
337.13641	1.8
343.15271	12.4
457.29593	2.5
553.34753	2.0
563.33661	24.6
581.34546	24.8
584.83429	1.9
599.35779	17.5
647.33911	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	646.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01857	3.8
55.05505	9.5
56.05020	0.7
57.03422	3.1
58.99568	1.4
67.05489	12.3
69.03389	0.6
69.07052	5.4
71.04960	1.2
71.64693	0.7
74.00622	4.6
74.09035	0.5
76.02202	3.3
79.05009	0.6
79.05476	18.3
80.04985	3.4
81.03400	1.5
81.07034	23.7
82.06564	0.9
83.04959	1.0
83.06077	4.5
83.08601	8.0
84.04491	10.7
85.01083	1.0
86.00629	1.3
86.11125	0.6
86.99058	0.7
88.02262	0.6
91.05455	13.2
93.07022	15.4
94.06550	1.2
95.04947	5.6
95.08564	9.5
97.01083	3.7
97.06506	1.2
99.01376	6.1
99.02662	1.0
99.05542	0.8
100.02184	12.1
105.07020	7.4
106.06542	1.0
107.04942	5.3
107.08574	7.9
108.08106	1.2
109.06495	7.8
109.10140	2.8
111.02627	1.0
111.08033	1.3
112.02168	15.6
113.00580	0.8
113.02944	3.7
113.04187	1.4
113.39219	0.7
114.03741	11.4
115.05717	0.8
116.01653	3.5
117.06980	6.2
118.06525	1.0
118.73740	0.6
119.08545	12.1
120.08072	1.1
121.06467	3.2
121.10108	4.2
122.09647	0.9
123.08041	2.8
124.08510	0.6
125.04212	2.3
126.03718	6.2
129.06519	4.5
130.04976	3.8
131.08560	6.8
133.06451	0.9
133.10120	4.3
134.09633	0.8
135.08022	5.1
135.10699	1.0
135.11641	6.8
136.03896	1.3
137.04251	0.8
137.05914	1.1
137.09566	5.3
138.03696	12.5
139.02153	1.0
139.03204	1.2
139.05728	1.4
140.01640	6.8
140.05269	5.8
141.04865	0.9
142.03163	0.8
143.08559	2.5
144.01089	1.0
145.06192	1.0
145.10097	7.3
146.09697	0.9
147.07997	0.9
147.11650	0.8
149.04175	0.8
149.09566	5.6
152.05273	5.6
153.06544	1.4
154.06824	1.3
157.00703	1.0
157.10133	0.9
159.07907	1.2
159.11710	1.4
160.11142	0.8
161.09532	1.4
162.02161	0.9
163.11127	8.6
165.07320	0.8
165.09090	1.1
166.06845	2.6
167.05165	1.0
168.06148	1.1
168.08382	30.8
169.10114	0.7
173.09656	0.8
176.10712	0.9
179.08916	0.7
181.05962	1.1
183.11798	0.7
185.03767	8.1
187.05319	1.4
190.12169	0.7
192.08292	0.7
193.06734	3.4
194.09871	0.7
201.16281	0.8
202.04057	2.5
208.07762	0.8
208.11658	2.1
216.05667	3.1
217.56389	0.6
218.09927	0.8
219.17493	0.9
229.06293	0.9
231.04300	9.3
233.05887	3.1
233.13600	0.6
235.10054	0.8
236.10983	19.8
241.06349	2.4
247.16911	2.5
252.10493	0.8
254.12056	9.9
255.07993	6.2
265.18082	0.7
269.09494	3.2
270.10294	10.4
271.11053	0.9
300.38678	0.7
304.17276	3.1
310.14673	10.9
311.14154	0.9
321.20648	2.9
322.18344	0.9
327.14975	4.5
328.15692	35.5
357.14389	0.9
379.19879	0.9
396.21866	8.3
397.19968	2.6
407.19922	0.9
414.23016	1.2
425.20596	0.9
430.17636	11.5
431.18307	0.8
451.22430	0.9
479.21741	0.8
481.23691	7.7
499.24622	100.0
500.24951	1.5
507.25235	0.9
553.25623	6.7
554.25372	1.1
571.26678	13.4
610.27460	7.4
628.29065	6.1
646.29645	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	645.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76452	0.5
64.70306	0.4
67.05454	0.4
77.00881	2.6
79.00644	1.0
79.05470	0.8
81.07047	1.0
83.04929	0.5
95.01918	1.0
96.01974	0.5
97.01611	0.7
110.25956	0.6
119.08555	0.6
131.01875	0.7
185.06532	7.8
186.06711	2.4
187.06274	4.2
203.07620	2.5
204.07843	1.0
205.07368	1.2
215.11191	0.6
221.91411	0.6
225.13280	2.4
226.13577	0.9
227.13287	0.9
241.12845	1.1
243.14369	20.6
244.14560	7.3
245.14153	11.3
257.12265	0.8
261.15497	5.3
262.15543	3.0
263.11227	0.9
263.15204	4.5
264.11578	1.9
281.12268	3.2
282.12817	2.8
283.12396	2.2
297.25653	0.6
309.15100	0.6
333.20300	100.0
334.20676	13.9
335.22202	5.4
338.58957	0.5
351.20050	22.9
352.20291	12.5
353.19922	19.1
416.76309	0.6
644.40338	3.4
645.41071	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	645.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.3
58.59947	1.0
62.61475	0.9
63.71444	0.9
67.05491	4.4
68.62321	1.0
71.07832	1.0
81.07050	1.5
89.06009	1.9
89.39767	1.3
90.27822	1.0
92.09343	1.1
93.07034	1.3
95.08661	1.2
97.73879	0.9
105.07050	5.9
119.39010	1.2
135.27342	1.1
141.10464	1.1
162.05032	1.2
189.06786	1.4
252.80916	1.1
255.81601	1.1
373.78735	1.2
547.39758	2.0
641.35675	1.4
644.41467	2.1
645.43268	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	645.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88712	0.6
62.46023	0.7
67.05497	0.8
81.07045	1.2
88.92249	0.8
93.07024	1.0
135.04338	1.0
179.32394	0.7
287.61090	0.7
333.20270	1.2
335.22079	1.6
434.62274	0.9
547.39551	0.8
591.57275	0.8
645.43243	100.0
646.43402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62019	1.9
55.05492	2.2
55.08524	2.0
56.01329	2.0
56.80441	1.9
76.56247	2.2
81.07018	3.4
105.07009	4.5
134.89508	2.3
134.94051	2.5
144.22310	2.4
154.84538	2.2
167.47739	2.8
184.91681	2.3
229.20265	2.4
248.15532	2.2
499.48032	3.0
515.86261	2.5
645.43280	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	645.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31405	0.3
60.58739	0.3
67.05473	0.6
70.59717	0.4
77.00891	2.6
79.00644	0.7
79.05488	0.6
81.06997	0.7
95.01926	2.3
97.01718	0.7
109.06509	0.6
131.01910	0.7
141.00078	0.4
149.05565	0.5
185.06609	6.0
186.06723	2.1
187.06329	4.6
203.07617	1.9
204.07866	0.5
205.07430	2.1
219.10713	0.6
225.13367	2.1
226.13275	0.5
227.11145	0.7
227.13136	0.7
243.14417	15.4
244.14610	5.7
245.14148	9.9
261.15359	6.5
262.15622	2.3
263.11111	0.6
263.15228	3.7
264.11832	0.8
265.11185	0.5
281.12238	3.1
282.12766	1.1
283.11752	1.5
333.20325	100.0
334.20676	10.6
335.18268	1.6
335.22147	6.3
351.20123	19.6
352.20319	8.0
353.19949	19.3
354.20612	0.7
627.38983	0.8
644.40088	0.5
645.40930	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	644.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.4
55.05510	30.8
57.03416	3.4
57.07064	3.3
63.04562	2.7
66.70103	3.4
67.05487	45.5
68.55553	2.7
69.07058	40.1
71.04998	4.4
79.05475	32.3
81.07040	73.9
83.04964	7.5
83.08624	38.8
91.05460	16.3
93.07020	56.4
95.08592	100.0
97.06493	16.1
97.10157	5.8
97.14098	3.5
101.09126	3.0
101.19595	4.2
105.07018	8.1
107.08596	31.6
109.06532	4.1
109.10154	40.3
111.08109	5.5
111.11758	3.5
119.08549	13.8
121.10152	37.0
123.07998	4.9
123.11681	17.1
125.06021	4.6
131.08556	16.3
133.10092	13.4
135.11662	19.8
137.09641	4.1
139.11162	4.4
145.10114	18.6
147.11662	4.9
149.09659	3.8
151.11211	4.1
159.11610	6.4
205.19504	3.5
215.18011	3.6
218.08574	4.2
233.18979	24.8
251.19991	53.7
269.20950	6.7
275.20007	5.3
293.21045	4.6
337.20059	75.2
355.20929	20.9
535.23700	4.0
547.42896	13.9
573.41400	4.8
591.42578	65.5
609.43250	6.4
644.39709	21.8
660.88556	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	645.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49510	0.3
55.01867	0.6
59.16438	0.3
81.07050	0.4
89.08452	0.4
93.07053	0.4
94.06548	0.5
95.04945	0.7
108.04460	4.7
120.08064	1.0
122.06009	2.0
134.87407	0.4
138.05452	1.5
140.07065	1.8
146.05978	2.7
147.06754	0.5
148.07587	2.9
166.04945	1.5
168.06531	6.4
172.07603	0.6
174.05492	1.5
188.03226	0.4
198.07880	2.0
198.12830	0.6
199.08623	12.4
201.10172	0.7
206.08150	2.2
210.09378	0.6
211.08641	12.1
211.12251	1.6
212.09305	4.4
213.10172	11.4
214.10995	2.4
221.10803	1.7
222.09135	2.1
222.11346	0.5
223.08644	2.3
223.12257	1.0
224.07417	0.4
224.09065	1.0
224.10732	1.9
225.06665	0.4
225.10165	14.4
226.07277	5.7
226.11018	2.2
227.08109	14.7
227.11581	3.8
228.08751	0.6
228.12524	0.5
229.13275	0.4
237.10223	1.0
239.08159	2.8
239.11725	17.4
240.08687	3.6
240.12553	1.4
241.09641	11.7
241.12090	0.5
241.13332	1.8
242.10442	9.2
243.10933	0.4
243.14905	2.3
249.10193	0.8
250.08545	2.4
250.10989	0.5
251.08194	3.3
251.11871	1.6
252.09038	3.3
253.09668	12.8
254.10493	2.7
255.11198	7.4
256.11914	0.9
257.09149	0.7
257.12808	2.0
267.07913	1.1
267.11212	21.9
268.08469	1.9
268.12054	2.1
269.09164	2.0
269.12643	2.8
271.10742	0.6
271.14255	1.0
273.12369	0.5
273.15857	0.4
279.11282	0.6
280.08414	0.6
281.09198	1.8
283.10712	2.0
284.11572	0.6
285.09134	0.5
285.12451	2.2
295.10754	12.1
296.11630	0.7
297.12289	5.6
300.10785	0.5
301.11572	0.6
313.11761	72.3
314.12515	3.5
315.13361	3.6
323.10190	4.5
324.11005	0.8
341.11246	40.0
342.12018	22.8
343.12714	0.9
355.12881	2.6
356.13599	0.5
359.12305	6.1
373.13858	100.0
374.14389	3.2
569.27582	1.5
585.26501	0.7
595.25464	3.5
613.26520	17.8
627.28033	9.1
645.28625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
53.97315	0.4
55.01861	2.9
55.05502	6.3
57.03431	8.4
59.04987	0.5
61.02916	14.4
67.05491	11.5
69.03413	4.1
69.07053	4.0
70.35539	0.4
70.56512	0.5
71.04975	2.7
73.02892	4.4
79.05473	11.2
81.03398	51.1
81.07037	14.1
83.04958	11.0
83.08599	17.1
85.02886	30.0
85.06522	1.7
86.09756	0.5
91.03939	8.6
91.05452	16.2
93.07014	9.0
95.04945	17.5
95.08595	3.4
97.02871	8.2
97.06499	2.5
97.10143	2.3
99.04426	1.1
99.08067	0.8
103.03906	0.9
105.07013	13.0
107.04948	4.3
107.08569	4.6
108.08165	0.5
109.02843	0.8
109.06518	3.5
109.10143	0.7
111.04424	0.9
111.08067	7.9
113.05988	0.9
115.05434	0.7
119.04959	0.5
119.08559	11.6
121.06484	1.0
121.10110	5.9
123.08057	2.2
123.11680	1.7
125.09666	0.5
127.03885	2.8
128.06186	0.5
129.06982	6.8
131.08540	8.3
131.09473	0.7
133.06528	1.6
133.10120	7.2
135.08090	0.6
137.05965	1.0
137.09583	0.6
141.06883	0.6
142.07719	0.9
145.04951	3.0
145.10085	0.6
147.04472	0.4
147.08012	2.6
147.11665	13.4
149.09616	4.0
157.10097	9.6
161.05957	0.5
161.09567	0.5
163.05995	2.7
165.12718	3.0
175.11150	13.5
187.07468	0.5
193.12206	50.2
211.13257	35.7
211.15321	0.9
213.09009	0.9
221.04425	0.7
229.14288	0.6
241.08519	1.1
249.07002	0.5
256.84732	0.5
259.07288	0.5
259.09497	3.7
267.15887	11.7
277.10657	0.6
285.16904	100.0
286.17084	0.9
287.09052	2.3
303.17963	1.1
305.10110	2.6
379.13657	0.6
397.14883	5.3
411.20013	0.6
415.15839	3.1
429.20996	4.4
447.21613	0.6
451.93961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
54.22951	0.3
55.01857	0.7
55.05500	4.5
57.03430	6.1
59.04974	0.4
61.02913	9.3
65.03916	0.4
65.43784	0.3
67.05492	11.7
69.03397	1.9
69.07051	9.6
70.06555	0.5
71.04969	1.9
73.02887	3.5
79.05470	6.0
81.03387	1.2
81.07037	44.1
83.04964	3.8
83.08608	5.2
85.02889	8.8
85.06518	2.6
87.04422	0.4
91.03931	7.4
91.05457	14.1
93.07020	5.9
95.04944	1.4
95.08584	9.6
96.01366	0.4
97.02872	4.7
97.06506	4.8
97.10107	0.4
97.26591	0.3
99.04436	1.4
99.08060	1.8
101.05983	0.6
105.07011	20.7
107.08566	6.6
109.02828	0.8
109.06486	3.4
111.08028	0.7
113.06008	0.7
119.07705	0.7
119.08555	17.2
121.10124	14.8
123.08041	2.0
123.11681	20.0
127.03911	2.3
127.07555	2.1
128.66924	0.4
129.06908	0.6
131.04854	0.4
131.08562	0.5
133.10092	1.8
137.05984	0.8
137.09619	0.4
137.13258	1.5
138.06383	0.3
138.09099	0.5
141.00168	0.4
141.09090	0.6
145.04929	2.2
145.10063	0.4
147.11662	53.9
157.10095	1.7
163.05994	1.9
165.12715	22.6
175.11177	2.7
183.13687	2.5
193.12218	1.4
211.13120	0.4
229.14330	5.0
267.15851	29.7
285.16895	100.0
286.17285	1.3
343.89862	0.3
352.17844	0.4
429.20953	0.8
447.22104	7.9
609.26685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.2
53.03936	1.1
55.01855	2.3
55.05502	8.0
57.03141	0.4
57.03425	9.5
57.07060	0.2
59.79013	0.2
61.02914	11.4
67.05489	11.9
67.05849	0.5
69.03414	3.7
69.07053	4.1
71.01332	0.3
71.04971	3.3
73.02898	4.0
79.04996	0.2
79.05476	13.3
81.03398	43.3
81.07035	14.1
83.04961	11.3
83.08603	14.9
85.02887	27.8
85.06538	1.4
87.04446	0.4
91.03931	9.1
91.05458	17.2
91.15508	0.2
92.09225	0.3
93.07018	9.4
95.04945	17.3
95.08584	5.3
95.26910	0.2
97.02864	7.5
97.06494	2.8
97.10151	2.3
99.04413	1.3
99.08057	0.4
101.02350	0.3
105.04493	0.2
105.07008	13.3
107.04937	4.1
107.08565	4.6
109.02859	0.8
109.06499	3.7
109.10114	1.6
111.04423	2.2
111.08059	7.8
113.05970	2.1
115.05447	1.0
117.07005	0.9
119.04894	0.7
119.08556	11.7
120.09046	0.2
121.06490	0.9
121.10117	6.2
123.08039	2.0
123.11708	1.3
125.05926	0.3
125.09617	1.1
127.03870	3.4
127.07558	0.3
129.06970	7.1
131.08533	7.8
133.06480	2.6
133.10098	7.6
134.45895	0.2
135.11649	0.3
137.05943	0.3
137.09615	1.1
142.07793	1.6
145.04929	2.6
145.10118	0.8
147.08040	1.9
147.11662	10.9
149.08505	0.3
149.09604	5.0
157.10100	10.3
163.05998	3.1
163.11156	0.8
165.12715	2.5
175.11145	11.2
191.05151	0.2
193.12204	35.5
211.13251	21.3
212.13606	0.2
228.60362	0.2
229.14133	0.3
257.59875	0.2
257.83841	0.2
267.15848	7.2
285.16901	100.0
286.17310	1.3
287.09125	0.3
305.10254	0.4
375.18393	0.2
393.18698	0.2
397.14856	0.4
411.19904	0.5
429.21112	2.9
440.03610	0.2
447.22183	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	644.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01457	0.1
53.78881	0.1
55.01870	0.2
57.03431	0.2
69.03412	0.2
70.57232	0.1
73.91742	0.1
85.02869	0.3
104.01868	0.1
119.03497	0.2
122.04041	0.1
136.06171	100.0
137.04665	0.2
137.05797	0.2
137.06665	0.3
186.96320	0.1
260.78421	0.2
268.10355	16.2
418.14008	0.2
460.69150	0.2
624.78760	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	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05492	5.8
57.03422	6.9
61.02908	9.3
63.63195	1.0
64.41337	1.1
67.05484	13.3
67.81702	1.1
69.03413	5.5
69.07058	9.2
70.06559	1.8
71.04976	1.8
73.02892	5.2
79.05456	7.8
81.03432	1.5
81.07035	48.7
83.04974	4.8
83.08588	5.1
84.84581	1.2
85.02876	14.4
85.06516	2.2
91.03934	8.8
91.05460	13.7
93.07014	7.4
95.04945	2.2
95.08579	10.1
97.02869	6.3
97.06485	5.9
99.04405	1.4
99.08077	2.5
105.07023	25.4
105.07678	2.1
107.04951	1.7
107.08573	6.5
109.06516	5.1
109.10162	1.4
113.25367	1.2
117.06985	1.3
119.04900	1.4
119.08561	21.3
121.06439	1.8
121.10131	14.0
123.08048	1.3
123.11672	21.0
127.03876	2.1
127.07545	1.3
133.06578	1.5
133.10124	2.7
137.05968	7.3
137.13148	1.8
145.04939	1.7
147.11674	53.5
157.10063	1.3
161.06001	2.5
163.05983	1.4
165.09088	1.3
165.12756	20.5
175.11116	4.8
178.36797	1.8
183.13771	1.7
183.57674	1.4
193.12157	1.4
217.40976	1.2
229.14345	2.6
267.15863	40.5
285.16922	100.0
303.17947	2.2
330.80548	1.4
400.15189	1.2
447.22470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.81243	0.5
55.01857	1.5
57.03405	1.1
59.62358	0.5
69.03409	1.4
76.02236	0.6
79.05470	5.5
81.03392	2.9
81.07014	1.0
83.04955	0.6
85.02892	6.4
91.05460	22.5
92.09402	1.6
93.07012	2.5
94.04141	1.1
95.04925	5.0
97.02892	2.4
102.04697	0.8
103.05444	18.6
104.06174	0.5
105.03359	0.9
105.07006	14.6
107.04933	42.6
109.02924	0.7
109.05264	0.6
109.06492	3.1
115.05434	6.7
117.07001	3.3
119.04922	21.0
119.08588	0.8
120.05692	1.1
121.06476	7.8
122.02782	0.9
122.03603	5.7
122.07199	0.7
123.04429	0.7
123.08025	0.8
128.06158	1.5
129.06963	9.8
130.04131	1.1
131.04897	23.1
131.08597	2.2
133.02832	2.7
133.06447	8.6
133.10103	0.9
135.04378	0.9
135.07988	10.6
136.05177	2.6
137.05949	94.2
145.06474	3.2
145.07547	1.0
146.07249	3.2
147.04385	16.0
147.08023	2.4
148.05168	3.8
149.00511	1.1
149.05965	10.8
149.09624	2.5
150.06702	1.3
151.03903	2.9
151.07513	37.5
157.06451	5.5
161.05939	100.0
161.09567	24.7
162.06700	6.7
163.07504	55.5
165.05513	0.8
165.06993	2.4
165.09103	2.5
167.08478	3.0
169.06349	0.8
174.06728	4.9
175.07512	12.5
177.09103	2.8
178.00854	1.1
178.07858	0.6
179.06993	4.1
181.08556	10.1
187.07552	0.7
189.09055	57.2
191.06992	3.8
193.03148	15.7
193.06468	2.3
193.10110	2.7
193.12180	1.0
194.07285	0.7
195.08046	8.0
195.09802	1.0
197.05998	0.8
205.06558	1.1
207.10120	58.0
209.09532	1.4
210.06686	1.0
212.08263	1.4
219.10069	6.9
221.05917	3.1
221.09566	3.7
222.06718	0.9
223.07538	4.0
224.08310	1.0
225.09102	4.5
227.10637	9.6
233.09575	1.2
237.09105	2.9
239.07126	1.1
241.08655	0.7
241.12062	0.8
249.08994	2.5
252.07651	0.9
253.08530	7.4
253.12181	6.4
254.09187	1.1
255.10074	9.9
265.08484	3.0
267.10086	3.6
269.07993	1.2
270.09006	1.0
272.10513	0.7
281.11581	1.2
282.07944	1.3
284.07690	0.8
284.10516	1.2
285.11154	7.7
287.12683	17.1
297.11142	3.1
299.09741	0.6
299.12775	4.1
311.12643	13.1
313.14249	16.0
325.14325	1.3
331.15320	56.4
332.15366	0.8
343.15213	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	643.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30870	0.6
54.23666	0.6
65.65820	0.6
67.05501	1.5
74.61685	0.7
81.07031	1.2
87.58727	0.8
93.07030	1.0
95.08593	0.9
107.08548	0.9
113.59288	0.8
140.88071	0.8
190.22842	0.8
272.95712	0.8
333.20081	1.3
625.29315	3.0
642.40143	1.2
643.41724	100.0
644.41919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81876	2.0
80.88528	2.3
83.46127	2.2
87.71692	2.1
91.05479	3.7
92.09359	5.0
107.08584	1.9
109.83952	2.1
170.89476	1.9
195.01198	2.0
543.33575	2.5
575.99127	2.5
625.40784	41.8
643.25793	4.4
643.41650	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	644.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.89721	0.7
55.01867	2.0
57.03431	2.1
58.32735	0.9
60.18066	0.7
61.02911	1.3
65.35046	0.7
69.03416	12.1
79.05479	5.5
81.03391	3.9
85.02891	20.2
87.06853	0.8
91.05455	15.6
91.52743	0.9
93.07014	2.1
95.04939	5.0
97.02873	7.4
99.04397	1.5
103.03905	1.1
103.05448	17.0
105.07011	25.3
107.04939	38.9
109.02859	1.5
109.06477	1.4
115.03924	3.3
115.05448	5.8
117.07001	3.7
119.04910	19.6
121.06482	16.6
122.03637	5.2
127.03906	3.9
129.06984	8.3
130.04111	1.5
131.04909	19.5
131.08551	2.1
133.02826	17.4
133.06470	30.4
135.04404	1.6
135.08031	9.5
137.05956	87.1
143.06117	1.1
145.04951	1.7
145.06473	3.4
146.03639	1.1
146.07295	1.8
147.04387	12.5
148.05177	1.5
149.00511	1.3
149.05952	29.1
150.06827	2.8
151.03874	1.5
151.07521	25.1
157.06462	1.9
159.04480	1.4
160.05264	0.9
161.05948	100.0
161.09586	22.0
162.06648	4.6
163.07495	52.6
165.05455	4.5
165.06845	1.6
165.09062	9.1
167.06996	1.2
167.08488	1.6
174.06747	4.3
175.07498	8.6
177.05446	3.8
177.09137	1.4
178.00775	2.0
179.06992	5.7
179.08432	1.0
180.79240	0.8
181.08566	9.9
187.07568	1.2
189.09070	45.0
190.09534	1.0
191.06984	6.1
193.03188	16.3
193.06302	0.9
195.08005	7.0
197.05936	1.3
203.07002	4.5
207.10132	63.3
215.06953	1.2
219.10104	3.4
221.05972	1.4
221.09564	3.3
223.07594	1.4
225.09081	1.9
227.10634	6.6
229.08672	1.2
233.07970	1.2
235.07706	1.1
237.09094	1.1
245.07976	1.0
253.08559	1.7
253.12093	1.9
255.10136	5.1
267.10101	1.5
269.08008	1.1
275.09241	1.2
278.09314	1.0
281.11673	1.6
282.07977	1.5
285.11200	6.8
287.12759	6.3
297.11075	2.1
299.12827	1.7
311.12466	1.9
313.14343	8.4
323.11365	1.6
324.43271	0.9
325.14276	1.2
331.15347	53.7
343.15256	3.6
350.74362	1.0
473.04764	1.0
519.09991	1.0
541.50604	0.9
600.01569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.89721	0.7
55.01867	2.0
57.03431	2.1
58.32735	0.9
60.18066	0.7
61.02911	1.3
65.35046	0.7
69.03416	12.1
79.05479	5.5
81.03391	3.9
85.02891	20.2
87.06853	0.8
91.05455	15.6
91.52743	0.9
93.07014	2.1
95.04939	5.0
97.02873	7.4
99.04397	1.5
103.03905	1.1
103.05448	17.0
105.07011	25.3
107.04939	38.9
109.02859	1.5
109.06477	1.4
115.03924	3.3
115.05448	5.8
117.07001	3.7
119.04910	19.6
121.06482	16.6
122.03637	5.2
127.03906	3.9
129.06984	8.3
130.04111	1.5
131.04909	19.5
131.08551	2.1
133.02826	17.4
133.06470	30.4
135.04404	1.6
135.08031	9.5
137.05956	87.1
143.06117	1.1
145.04951	1.7
145.06473	3.4
146.03639	1.1
146.07295	1.8
147.04387	12.5
148.05177	1.5
149.00511	1.3
149.05952	29.1
150.06827	2.8
151.03874	1.5
151.07521	25.1
157.06462	1.9
159.04480	1.4
160.05264	0.9
161.05948	100.0
161.09586	22.0
162.06648	4.6
163.07495	52.6
165.05455	4.5
165.06845	1.6
165.09062	9.1
167.06996	1.2
167.08488	1.6
174.06747	4.3
175.07498	8.6
177.05446	3.8
177.09137	1.4
178.00775	2.0
179.06992	5.7
179.08432	1.0
180.79240	0.8
181.08566	9.9
187.07568	1.2
189.09070	45.0
190.09534	1.0
191.06984	6.1
193.03188	16.3
193.06302	0.9
195.08005	7.0
197.05936	1.3
203.07002	4.5
207.10132	63.3
215.06953	1.2
219.10104	3.4
221.05972	1.4
221.09564	3.3
223.07594	1.4
225.09081	1.9
227.10634	6.6
229.08672	1.2
233.07970	1.2
235.07706	1.1
237.09094	1.1
245.07976	1.0
253.08559	1.7
253.12093	1.9
255.10136	5.1
267.10101	1.5
269.08008	1.1
275.09241	1.2
278.09314	1.0
281.11673	1.6
282.07977	1.5
285.11200	6.8
287.12759	6.3
297.11075	2.1
299.12827	1.7
311.12466	1.9
313.14343	8.4
323.11365	1.6
324.43271	0.9
325.14276	1.2
331.15347	53.7
343.15256	3.6
350.74362	1.0
473.04764	1.0
519.09991	1.0
541.50604	0.9
600.01569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69842	0.3
55.05506	0.3
64.19547	0.3
65.65827	0.3
67.05488	0.5
81.07048	0.5
99.38327	0.3
146.41447	0.3
195.17548	0.3
277.13901	0.5
317.24298	0.4
327.33029	0.4
333.20209	1.2
349.20035	0.5
351.21463	1.9
405.22702	0.3
413.49722	0.3
541.75385	0.4
545.38629	0.5
643.41693	100.0
644.42004	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82360	0.4
55.01880	0.4
55.05505	1.1
57.03419	0.6
61.12854	0.4
67.05490	4.9
69.07050	0.9
79.05482	4.0
81.07047	4.8
83.04986	0.8
83.08601	0.8
91.05473	2.1
93.07023	3.4
95.04938	0.6
95.08600	2.2
97.06533	0.6
97.10162	0.4
105.07015	0.8
107.08582	1.6
108.72485	0.4
109.10141	0.5
111.04465	0.7
111.08025	0.5
117.06976	0.6
117.32793	0.4
118.61719	0.4
119.08545	0.8
121.06526	0.5
121.10120	0.8
123.07989	0.7
125.35487	0.5
135.11719	0.9
143.08546	0.4
163.11174	1.9
171.11803	0.5
182.32262	0.5
214.07732	0.5
227.12814	0.5
228.35771	0.5
273.18457	0.5
291.19510	1.0
317.20847	2.0
333.20389	1.7
335.25861	2.0
349.19708	4.9
377.52151	0.5
451.24997	0.4
545.38562	1.6
643.41681	100.0
644.41968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15714	0.4
55.05500	0.6
59.11436	0.4
59.27141	0.4
60.47143	0.4
60.49507	0.3
67.05482	1.0
69.07043	0.5
70.06579	0.7
79.05463	0.7
81.03416	0.7
88.07602	1.1
89.22210	0.4
91.05466	0.5
93.07034	0.9
95.08589	0.6
102.09182	0.8
105.07026	0.5
107.08561	0.5
119.08580	0.6
149.02356	2.4
150.02682	0.5
193.04991	3.1
206.75795	0.5
267.15768	0.5
284.29364	2.0
291.19446	0.6
292.20090	0.6
307.76846	0.5
315.19247	11.7
333.20309	100.0
385.08868	1.8
386.09375	1.1
476.39050	0.5
637.05560	0.6
642.36200	0.6
643.36652	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.3
57.03423	10.9
57.07071	95.3
57.83883	9.6
62.43025	10.2
67.05496	79.9
69.07051	24.9
71.08614	45.3
79.05466	37.1
81.06662	8.8
81.07034	87.0
83.08600	25.2
85.10168	82.1
91.05463	18.4
93.07031	42.3
95.04950	15.7
95.08605	54.7
97.10158	12.8
105.07018	17.2
105.70695	9.8
107.08599	21.6
109.10144	46.4
113.09604	10.8
121.10167	14.2
133.43799	11.4
165.12733	45.8
214.81802	10.7
277.21576	56.0
295.22592	73.3
313.27377	100.0
351.25409	36.6
369.26437	40.9
507.40353	48.6
589.48077	41.0
607.49115	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.2
57.03425	12.2
57.07066	38.9
61.48273	2.5
67.05492	47.6
69.07050	17.6
71.08616	32.0
73.72095	2.4
79.05473	28.7
81.07044	41.9
83.04974	4.8
83.08601	19.9
85.10181	15.9
91.05444	20.9
93.07022	40.1
95.04945	11.0
95.08600	35.1
97.10165	3.7
99.08098	3.0
105.07002	4.8
106.04847	3.1
107.08585	18.1
109.06494	5.0
109.10145	6.0
119.08537	3.8
121.10100	10.7
123.11679	3.4
133.10063	3.0
134.02402	3.0
135.11737	4.6
149.13155	3.3
269.17502	24.7
313.27295	36.9
380.27814	3.2
507.40387	100.0
589.48193	5.5
616.25287	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	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81872	0.5
57.78210	0.5
67.05478	0.6
74.28855	0.5
81.07044	0.6
92.08620	1.1
105.07046	0.5
107.08614	0.6
151.11195	0.6
185.07779	0.5
189.06602	0.6
229.09958	0.5
396.12097	0.8
397.12985	3.2
410.13779	3.0
411.14459	8.2
412.15356	4.3
413.15942	2.4
424.11102	2.3
424.15622	2.6
425.16141	14.7
426.16876	11.7
427.17490	2.3
437.16632	0.8
438.13004	2.8
438.17664	0.9
439.13348	15.9
440.18903	6.5
441.19196	41.0
442.19644	2.4
451.13870	0.7
452.13983	4.6
453.15201	18.6
454.15714	4.1
463.13843	0.9
467.17078	32.3
468.17755	15.2
469.18710	17.0
471.16498	1.1
481.14670	20.2
482.15488	5.2
485.18527	0.8
495.15945	5.7
496.17056	17.9
497.18109	3.3
499.19110	0.6
508.18216	0.7
509.18210	2.4
512.20697	1.1
514.22162	1.0
523.20001	1.3
527.22760	3.0
555.22369	21.1
556.23151	0.7
583.21802	100.0
584.22064	5.6
586.20251	1.0
587.24817	0.7
611.21216	2.5
615.24481	10.0
642.22668	2.1
643.23828	65.8
644.23511	3.8
671.60675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.85070	0.6
58.22873	0.7
68.08655	0.7
70.06568	1.1
85.02893	1.5
86.09670	0.7
91.05458	1.5
94.04171	1.0
103.05441	5.4
107.04971	1.0
109.06520	1.3
111.04440	1.7
115.05418	1.4
116.07058	0.9
122.03593	6.5
125.05945	2.8
128.06204	2.7
129.06967	17.3
131.04887	15.7
137.05951	100.0
143.04898	1.7
145.06416	1.6
147.04434	1.7
149.05917	0.8
151.03839	1.1
153.05431	4.7
157.06459	16.5
160.05173	6.9
161.05919	3.0
163.07504	8.1
172.05147	4.5
174.06691	4.2
175.07513	28.0
187.07510	30.8
189.09079	19.9
191.08447	1.0
203.08536	1.8
205.08531	1.5
211.07440	1.5
217.08620	6.4
219.08075	5.8
219.21428	0.7
231.07953	3.7
232.08583	0.9
235.09523	1.1
239.06900	1.2
240.07785	0.9
247.07445	4.4
248.08240	4.5
251.10614	1.3
255.06490	1.3
259.07614	1.3
263.10571	3.8
265.08246	0.9
268.68872	0.8
270.08774	3.6
271.09467	3.6
276.07748	1.3
279.10129	4.4
283.09741	1.4
291.10141	10.0
292.10834	0.8
293.89185	0.8
296.10321	1.7
311.12741	12.3
323.12631	11.4
329.13629	1.1
341.13742	20.6
359.14529	0.8
436.02783	0.8
438.44684	0.8
498.37360	0.8
523.88953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.53
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72126	1.4
54.33070	1.3
55.01855	2.5
55.05510	16.2
57.03429	8.3
57.07067	40.1
59.90975	1.2
67.05492	45.2
69.07047	10.9
71.04963	1.4
71.08610	25.8
72.65134	1.4
75.60474	1.3
79.05470	23.2
81.07038	45.2
83.04955	6.6
83.08614	15.4
85.10168	12.3
91.05463	14.4
92.64565	1.4
93.07034	26.1
95.04939	10.0
95.08588	27.3
97.06519	6.5
97.10153	7.1
99.08071	3.7
105.07005	8.5
107.08600	15.3
109.10130	10.8
114.01173	1.5
117.06988	2.9
119.08581	1.8
121.10144	3.0
123.11650	1.9
131.08557	8.2
133.10081	6.6
135.11641	2.2
149.13277	7.9
151.11113	2.0
159.11649	1.6
161.13469	1.5
239.23729	1.9
250.11761	1.5
269.17484	7.1
273.55573	1.7
277.21521	6.0
278.21637	1.5
313.27222	27.2
351.25140	11.6
492.30075	1.6
507.40393	100.0
575.77185	1.8
589.48230	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	640.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	8.8
55.05501	52.3
55.16444	9.0
57.03416	16.0
57.07064	82.5
67.05492	100.0
69.07052	61.1
70.19501	9.0
71.08601	56.3
71.50305	9.0
79.05474	90.6
81.07032	70.3
83.08612	47.8
84.66396	8.8
85.10177	22.0
89.16214	8.9
91.05464	45.8
93.07020	53.7
95.08595	78.9
97.10125	48.0
105.07027	46.3
107.04983	11.1
107.08564	66.0
109.10120	22.9
117.07014	21.5
119.08543	23.9
125.09618	21.3
127.94283	9.7
131.08427	12.3
133.10136	16.6
135.11746	13.2
145.10114	9.9
148.77986	10.5
149.09590	14.6
172.63727	9.9
179.07991	11.8
189.06647	10.0
201.71640	9.4
227.12726	59.0
275.20041	49.4
313.27307	79.3
349.23575	56.5
425.73209	10.9
587.46313	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	641.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78917	2.2
66.61537	2.0
67.05496	3.1
67.07787	2.0
69.07040	3.0
79.05459	2.2
81.07041	8.3
91.05453	2.2
95.04987	2.4
95.08563	3.3
105.06999	3.0
147.12627	2.2
252.70160	2.3
294.21460	2.7
312.88989	2.4
481.29102	4.0
528.15839	2.5
607.64178	2.4
641.38806	100.0
642.38568	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	641.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81497	2.5
67.05493	4.7
79.05447	2.6
81.07020	4.8
86.21545	2.5
93.07031	5.5
94.82948	2.7
95.08548	3.1
105.07026	3.2
107.01771	2.5
148.03397	2.5
188.47398	2.6
238.11496	2.8
268.80219	3.2
279.00970	2.6
279.19537	2.4
302.75806	3.4
352.43808	2.6
471.03348	2.6
592.82043	2.4
641.38263	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	641.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80974	0.3
60.00979	0.3
67.05505	1.4
67.94176	0.3
79.05477	0.5
81.07043	0.9
84.69888	0.4
85.10168	0.4
92.64155	0.4
92.91425	0.3
93.07046	0.6
95.05024	0.4
95.08601	0.7
113.09653	0.5
160.62941	0.4
165.12720	0.8
179.38795	0.4
220.48598	0.4
295.22668	2.4
296.22903	0.7
331.18942	1.4
333.20325	1.5
350.64838	0.4
437.69202	0.4
623.28363	3.1
641.40149	100.0
642.40405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90282	0.4
64.32936	0.5
66.14683	0.4
73.70467	0.5
75.38184	0.4
91.85507	0.5
92.08582	0.9
143.38560	0.5
294.45401	0.6
315.10638	0.6
315.19345	2.2
349.19781	3.8
379.67508	0.6
387.11813	0.6
463.93738	0.5
536.37982	0.6
558.80432	0.5
641.40179	100.0
642.40436	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
57.28751	0.4
62.30673	0.4
65.00166	0.4
67.05491	2.5
69.07052	0.9
79.05481	1.8
81.03390	0.5
81.07047	2.6
83.08607	1.0
91.05478	2.0
92.09273	0.5
93.07030	2.0
95.04965	1.7
95.08578	1.7
105.07028	2.3
107.08598	0.9
119.08575	2.0
121.10126	0.5
131.08633	0.7
133.10274	0.5
137.06038	0.5
146.39430	0.4
149.09589	0.7
163.11172	0.7
202.31061	0.4
204.30423	0.5
275.20084	2.9
276.20395	0.7
293.21143	0.9
331.18747	0.9
333.20392	0.8
529.31488	0.9
543.32947	0.7
559.32245	0.5
641.40179	100.0
642.40533	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	640.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09637	6.2
55.05487	42.7
57.03410	17.1
57.07074	63.2
58.53751	6.2
62.20055	7.2
65.14934	8.7
67.05487	61.1
69.07045	29.3
71.08599	35.4
71.25756	8.3
79.05457	40.5
81.07040	80.1
82.43623	7.3
83.04967	8.3
83.08596	42.2
84.34859	6.7
85.10149	14.0
91.05449	16.3
92.45544	7.4
93.06996	52.9
95.04928	89.4
95.08574	43.8
97.10147	8.4
105.07026	19.5
107.08575	31.6
109.10157	16.4
117.06985	12.7
119.08540	10.8
121.10096	19.4
131.08528	12.6
133.10075	16.9
137.67409	7.5
144.73842	7.8
145.10118	17.0
146.74149	8.3
149.09575	32.9
163.11131	19.7
223.13254	33.8
226.33531	9.0
275.19946	42.6
293.21030	38.1
313.27390	100.0
349.23593	15.7
367.24908	17.3
587.45764	30.9
605.47516	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	640.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52173	5.2
55.05502	68.2
57.03420	16.7
57.07063	70.0
62.15391	5.2
67.05486	100.0
69.07059	67.5
70.32012	6.5
71.08611	25.6
79.05465	68.5
79.35187	6.1
81.07048	93.0
83.08594	15.1
85.10166	12.6
91.05440	54.2
93.07029	42.2
95.04926	8.2
95.08584	58.9
97.10149	39.8
97.74919	6.8
105.07036	66.2
107.08575	56.0
109.10136	32.6
113.19302	7.8
117.06995	17.1
119.08568	32.7
125.09576	10.5
131.08557	15.5
133.10091	14.7
147.11655	8.7
159.11670	8.5
189.11116	8.8
218.76784	7.4
227.12750	31.4
257.18881	7.1
275.19989	31.0
287.34311	7.8
292.73187	8.8
313.27264	55.5
349.23630	46.9
544.49347	7.5
587.46429	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	640.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35523	2.5
53.03945	2.4
54.81556	2.7
55.01860	15.4
55.05505	46.5
57.07062	12.1
62.19903	2.3
67.05497	35.9
69.03395	2.8
69.07050	17.6
69.49299	2.2
79.05485	35.0
81.03394	10.6
81.07039	45.6
83.04954	12.5
83.08603	23.8
85.02904	5.7
85.06503	3.4
85.10153	5.8
91.05460	23.5
93.07024	24.4
95.04399	4.6
95.04953	74.1
95.08612	21.9
97.10166	31.8
105.07027	25.0
107.04929	14.5
107.08597	22.3
109.06490	6.3
109.10125	9.5
111.04366	4.7
111.08045	10.7
112.52100	2.8
113.09618	12.7
117.07018	3.5
119.08539	12.8
121.06467	3.1
121.10101	10.0
123.08028	3.9
125.09629	10.6
129.06976	5.4
131.08560	4.1
133.10039	3.6
135.11676	5.1
142.47003	2.5
143.08517	2.8
145.10118	10.6
147.08046	3.2
147.11647	11.3
149.09596	16.3
153.09087	10.8
159.11671	3.5
163.11136	22.3
165.12723	26.8
173.13399	3.2
189.11090	9.9
205.12305	2.7
223.13248	17.0
275.20038	18.9
277.21594	22.2
293.21051	100.0
295.22638	43.6
311.22168	5.5
422.84213	2.8
569.41711	3.7
578.19745	3.1
587.43188	4.2
639.38342	6.5
640.38831	75.3
641.39728	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	640.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.9
55.05503	35.7
57.03422	19.1
57.07069	66.6
63.68311	3.2
67.05491	71.7
69.07054	39.0
71.08614	45.7
73.09393	3.5
79.05469	46.2
81.03413	5.6
81.07042	73.0
83.04946	18.3
83.08602	27.5
84.28757	3.8
85.10171	26.6
90.20697	3.8
91.05456	46.1
93.07021	44.3
94.65765	3.5
95.04932	7.2
95.08590	62.3
97.06512	4.0
97.10118	4.7
105.07002	29.7
107.04926	3.9
107.08598	29.0
109.10121	22.9
117.07001	8.5
119.08552	22.7
121.10093	18.0
123.11674	9.7
131.08502	22.3
133.10077	22.8
135.08006	4.2
135.11691	8.9
145.10104	6.9
147.11580	3.8
149.09587	7.5
150.85962	3.8
159.11679	9.0
173.13200	5.9
255.15977	5.7
257.18854	4.0
269.17453	7.4
275.19989	14.7
285.35648	4.3
313.27228	56.4
333.41696	5.0
349.23642	7.9
393.94199	4.2
456.64291	4.3
493.38928	19.1
507.40329	100.0
587.46606	14.6
605.46820	5.7
668.96875	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	640.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	15.5
55.05507	38.8
56.17461	1.8
57.03414	1.9
57.07059	3.8
59.05005	1.8
67.05489	31.4
69.07063	15.1
71.08626	7.3
79.05477	24.8
81.03406	4.5
81.07039	44.0
81.21531	2.2
83.04961	10.3
83.08615	26.1
91.05457	20.6
93.07020	29.0
95.04948	68.0
95.08569	17.6
97.10149	28.0
105.07037	16.0
107.04917	7.8
107.08581	23.6
109.06493	5.1
109.10129	13.0
111.04410	7.5
111.08063	10.8
117.07003	8.5
119.08557	16.3
121.06445	4.2
121.10141	14.7
123.07994	3.4
125.09602	14.1
129.06953	2.9
131.08542	3.5
133.10057	8.9
135.08104	2.6
135.11624	10.0
139.11191	3.2
143.08586	3.1
145.10110	17.5
147.07990	3.5
147.11618	3.1
149.09604	15.7
151.11201	8.9
153.09059	17.5
159.11662	8.7
161.09557	2.5
163.11159	27.8
165.12682	5.1
171.11655	2.8
177.12720	3.5
183.16762	2.3
187.11250	3.5
189.11168	4.5
194.81313	2.4
223.13248	18.2
245.33121	2.0
247.20557	2.5
275.19977	23.9
277.21588	10.6
293.21051	100.0
311.22006	2.4
343.81473	2.1
461.33664	2.3
487.34348	2.4
622.37927	2.3
640.38812	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	640.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	18.4
55.05505	39.0
55.79485	1.4
57.07061	6.6
59.29007	1.2
63.27616	1.2
67.05146	1.7
67.05495	33.1
68.65328	1.4
69.03406	3.3
69.07081	10.7
71.04971	2.4
71.08607	3.1
79.05470	22.8
79.29199	1.6
81.03400	7.0
81.07038	31.0
83.04963	8.9
83.08604	22.5
85.06521	1.7
85.10177	2.5
91.05457	19.8
93.07022	17.7
95.04946	64.8
95.08586	17.9
97.06519	2.2
97.10166	17.9
99.08070	2.8
105.07007	16.8
105.16341	1.7
107.04958	7.3
107.08570	19.4
109.06510	6.5
109.10139	6.6
111.04401	2.8
111.08080	14.6
117.07002	5.9
119.08550	14.3
121.06488	2.0
121.10134	10.9
122.10606	1.4
123.08047	6.0
123.11646	1.9
125.09625	11.5
129.06970	2.1
131.08540	7.3
133.10072	11.1
135.08043	3.1
135.11658	8.3
136.36441	1.7
139.11169	2.4
145.10101	7.1
147.08066	1.8
147.11641	6.6
149.09558	13.5
151.11142	2.8
153.09109	14.9
155.94771	1.4
159.11713	6.0
163.11172	20.7
165.12787	11.5
169.10048	1.9
171.11594	1.6
177.12730	5.8
189.11191	8.7
193.12132	1.6
205.12169	2.5
205.41801	1.4
223.13235	14.0
229.17973	1.5
242.83327	1.7
247.20573	2.5
275.19962	19.4
277.21609	19.9
293.17740	3.2
293.21060	100.0
295.22641	13.6
305.16635	1.8
311.22079	5.8
321.44894	1.4
338.54657	1.6
550.80408	1.8
587.42242	5.7
623.36475	1.9
640.39545	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
54.81395	1.3
55.01864	13.0
55.05507	52.8
57.07063	2.5
67.05499	41.4
68.34112	1.5
69.03412	2.4
69.07056	19.0
71.04974	3.8
71.08610	7.1
79.05475	41.7
81.03400	6.8
81.07039	43.6
82.07357	1.8
83.04970	14.6
83.08609	28.3
85.02876	2.2
85.10166	2.1
86.41035	1.5
91.05466	30.6
93.05427	1.8
93.07032	33.4
95.04949	87.7
95.08590	23.8
97.06521	3.9
97.10162	31.0
99.08070	2.9
105.07031	18.0
107.04951	12.0
107.08581	26.3
109.06481	9.0
109.10136	10.1
111.04430	3.2
111.08057	8.0
113.09599	2.1
114.59953	1.5
117.06977	9.2
119.08561	17.1
121.06474	6.9
121.10110	11.2
123.08064	7.5
125.09590	14.8
129.06987	3.1
131.08524	13.6
133.10106	9.1
135.08052	3.3
135.11676	8.9
137.09526	1.7
143.08556	2.2
145.06570	2.0
145.10106	14.5
147.08022	5.8
147.11693	6.6
149.09605	14.2
151.11192	14.6
153.09076	15.7
157.10071	2.3
159.11690	3.5
161.13205	3.1
163.11140	29.1
165.12718	9.6
169.09978	2.1
171.11760	2.0
173.09558	2.6
173.13177	2.6
177.12735	2.5
179.14276	2.0
187.11087	2.5
189.11198	9.4
205.12265	2.8
223.13248	19.6
247.20309	2.7
257.18860	2.3
275.19937	21.3
277.21591	12.3
291.19153	1.9
293.21060	100.0
311.22043	3.0
341.60165	1.6
365.23340	1.8
469.33203	2.9
487.34094	4.0
616.58862	1.7
621.46918	1.6
640.39453	14.0
641.40216	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	639.423
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.1
79.05488	2.9
81.07047	3.7
81.32227	1.9
93.07064	2.0
95.08604	3.9
110.94295	2.1
148.52904	1.8
268.54691	1.7
305.17377	7.0
361.19958	2.8
639.42157	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	639.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
59.50287	1.1
65.83656	1.1
67.05495	3.2
69.07071	1.4
71.71918	1.2
77.20935	1.3
79.05489	5.4
81.07056	6.4
91.05463	2.2
93.07048	4.9
95.08604	6.2
105.07040	2.2
121.10139	1.7
187.61465	1.5
212.27629	1.3
239.25504	1.5
333.20340	15.6
389.23135	2.3
554.87769	1.5
578.51801	1.5
639.42224	100.0
640.42645	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	639.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
56.22956	0.9
57.35493	0.9
65.42796	1.2
67.05506	5.5
69.07084	1.2
74.66772	1.2
79.05460	3.4
81.07069	4.2
83.77590	1.2
85.52654	1.1
85.59968	1.0
87.58630	0.9
93.07050	4.4
95.08597	2.4
109.10129	1.1
121.10101	1.4
176.53035	1.2
237.16380	1.0
303.90366	1.2
305.17261	9.0
361.19937	4.2
448.54080	1.4
466.35147	1.3
603.90686	1.4
639.42322	100.0
640.42596	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	640.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.03943	1.5
55.01851	1.4
55.05504	7.2
57.03173	0.3
57.03426	5.8
59.04959	0.2
59.41730	0.2
61.02913	6.7
62.04868	0.2
65.03913	0.3
67.05492	20.2
69.03413	1.6
69.06715	0.3
69.07050	4.5
71.04981	1.6
73.02901	3.0
73.06533	0.5
79.05474	30.8
81.03401	3.6
81.07038	17.0
81.07437	0.3
81.07529	0.3
83.04964	8.1
83.08597	2.5
85.02886	6.5
85.06520	1.3
87.04466	0.4
91.03471	0.3
91.03942	4.1
91.05460	21.7
93.07022	29.6
94.72795	0.2
95.04946	8.1
95.08585	12.3
97.02865	3.6
97.06503	2.1
97.10136	1.6
99.04446	0.4
99.08046	0.3
103.05447	0.3
105.04489	0.5
105.07014	17.5
107.04941	3.5
107.08583	8.1
109.02858	0.5
109.06513	2.7
109.10146	2.0
111.08038	0.9
115.03946	0.2
115.05397	0.3
117.06989	2.9
119.08553	12.4
120.08074	0.3
121.02801	0.2
121.06436	1.8
121.10120	1.9
123.08048	2.6
127.03912	1.7
127.07515	0.4
128.06171	0.3
129.06982	7.5
131.04889	0.2
131.08560	1.7
133.06451	1.0
133.10110	5.7
135.04482	0.2
135.08017	0.5
135.11697	1.0
137.05962	1.1
137.09685	0.2
143.08546	4.1
145.04903	1.1
145.10110	4.9
147.04358	0.3
147.08034	1.5
147.11664	17.2
151.07617	0.2
156.09297	0.4
159.11665	0.4
161.05933	0.3
161.09579	2.4
161.13210	6.7
163.05971	1.0
163.07399	0.4
171.11656	11.5
179.14209	0.4
189.09048	0.4
189.12708	4.5
207.13771	6.9
219.09991	0.2
281.17413	100.0
282.17728	1.5
284.29840	0.2
310.67105	0.2
316.39816	0.2
443.17062	0.4
443.22610	4.2
641.25897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3864
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12,15-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01869	1.9
55.05505	9.3
57.07075	1.6
61.96334	1.2
67.05495	7.9
69.07050	3.1
79.05476	9.5
80.50670	1.0
81.03409	1.6
81.07052	13.9
82.07410	1.2
83.08632	5.1
85.10165	2.6
91.05481	10.2
93.06995	9.5
95.04939	8.7
95.08605	5.2
97.10139	2.0
105.07027	7.6
107.04973	2.7
107.08564	2.0
109.06552	2.3
111.04522	1.4
113.09629	2.0
117.07058	1.9
119.08572	5.9
119.43652	1.3
121.10135	1.7
123.08088	1.6
125.09660	1.5
131.08577	4.7
133.10182	2.1
135.08102	1.4
138.93135	1.1
145.10123	2.7
146.10442	1.4
147.08051	2.1
149.09647	5.3
161.09633	1.7
163.11230	5.2
165.12761	3.0
183.71655	1.1
249.10933	2.2
271.04831	1.5
273.18552	1.7
277.21671	1.9
291.19452	12.5
292.20053	5.0
293.21118	6.8
294.21469	2.4
331.18921	3.0
353.81747	1.4
432.10034	1.3
446.70361	1.3
494.84738	1.3
518.34912	1.3
541.31281	3.0
576.24036	1.4
593.14746	1.5
621.28168	2.6
621.37506	51.1
639.38654	100.0
639.47748	3.8
639.94415	1.4
640.39105	1.4
641.66980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16358	0.4
83.47077	0.4
85.02892	0.5
92.08710	0.9
108.08102	0.6
122.06006	0.7
127.49544	0.4
135.08076	0.5
136.07562	0.7
137.05991	0.6
138.09169	0.5
145.57451	0.4
148.07521	0.5
161.95949	0.5
162.05446	0.5
163.07498	0.7
164.07133	0.5
175.08641	0.5
178.08566	0.6
201.06583	2.6
202.07355	7.9
203.08118	0.6
217.09714	11.2
220.02098	0.5
225.83347	0.4
233.09209	4.9
235.10739	2.6
243.07507	0.6
245.09134	2.1
257.09161	11.0
259.10736	0.6
261.08664	100.0
265.41736	0.5
269.09180	0.8
285.08688	14.9
285.12006	0.8
287.10220	0.8
288.11124	1.6
293.11523	0.5
301.11862	0.9
305.11392	0.8
313.08170	10.7
317.15100	0.8
326.11261	3.4
331.09201	13.4
338.15198	0.6
347.12531	0.9
349.10324	0.5
352.12820	8.1
360.13388	0.6
361.14191	0.6
362.14914	0.8
364.12781	9.9
364.16620	0.7
368.12134	0.5
374.15137	0.6
376.16550	6.3
377.13651	0.7
382.13861	6.0
389.13623	1.0
390.14566	1.7
392.16177	1.0
394.17352	1.9
398.17035	6.7
409.12558	1.0
410.13718	0.6
420.15503	5.5
422.16959	2.8
427.13931	0.9
437.11871	0.5
438.16531	19.4
440.17847	1.9
455.13013	2.1
456.17447	0.6
466.15643	1.5
468.17746	2.0
469.14703	1.8
484.17096	31.8
502.18091	9.6
621.25507	41.6
622.25598	0.7
639.26410	17.1
669.58154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
54.82986	1.8
55.01863	5.2
55.05508	24.2
57.03428	18.3
64.33044	2.0
67.05487	38.2
69.03414	19.0
69.07053	10.7
71.03342	2.0
71.04967	4.5
74.33635	2.0
76.55656	2.4
76.56138	2.1
78.05096	1.9
78.63217	1.9
78.89481	2.0
79.05485	36.2
81.03398	100.0
81.07038	37.5
83.04983	28.8
83.08596	22.0
85.02895	28.7
85.06520	2.8
91.05466	47.8
92.09276	2.6
93.07020	24.9
95.04949	33.0
95.08596	13.5
97.02866	12.5
97.06514	3.1
97.10150	8.9
99.04445	9.1
105.07012	32.0
107.04942	13.7
107.08569	5.6
109.02876	21.1
109.06494	9.6
109.10126	4.4
111.04424	12.6
111.08063	11.1
117.06997	4.5
119.08553	23.0
121.06476	3.7
121.10130	16.3
123.08070	3.5
125.09605	4.3
127.03881	3.8
129.06987	14.5
131.08533	15.2
133.10101	11.1
137.06001	3.7
137.30276	2.3
143.08522	3.1
145.06493	2.4
145.10089	5.6
147.04369	2.9
147.08022	4.2
147.11636	25.1
149.09570	3.7
157.10124	17.2
163.11082	2.3
163.22809	2.2
175.11148	14.1
193.04596	2.3
193.12212	37.1
199.34592	2.4
211.13281	27.5
227.12627	2.5
259.79355	2.2
267.15836	12.5
271.05981	4.9
285.16870	12.5
375.17493	2.8
385.23615	2.9
459.27115	13.4
477.28415	13.2
495.29388	13.3
585.29968	3.0
603.31055	3.5
621.32251	16.9
628.35461	2.6
639.33606	36.3
641.68469	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	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.00412	2.5
67.05467	3.1
81.07040	4.2
100.18279	3.0
101.29432	3.0
113.50983	3.5
121.10134	3.2
217.28133	2.8
316.33505	3.1
391.18658	4.7
392.20291	3.5
405.20557	18.7
406.21359	7.2
407.22226	18.3
421.24066	26.7
433.24030	4.8
451.21078	17.9
465.22702	26.1
466.23300	3.5
483.03665	3.8
501.22556	4.1
503.23911	17.9
507.27353	18.1
523.22919	4.2
535.27057	25.7
537.24707	11.7
552.27338	23.8
555.36249	3.8
579.25653	7.3
595.28699	6.7
621.26953	18.7
639.27740	100.0
639.41913	91.1
643.23608	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	638.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01860	5.1
55.05507	38.2
67.05499	42.8
69.03397	2.4
69.07064	19.3
71.04967	3.8
79.05477	34.7
79.05916	3.2
81.03400	9.6
81.07041	51.0
83.04949	9.5
83.08598	31.5
85.08716	2.1
91.05468	39.7
93.07037	44.2
95.04389	3.5
95.04945	41.2
95.08581	26.4
97.06503	8.1
97.10135	8.2
103.05447	19.4
105.07020	39.5
107.04964	17.0
107.05547	2.1
107.08575	27.1
109.06497	12.7
109.10132	11.6
117.06985	16.0
119.08566	37.0
121.06476	4.8
121.10100	20.5
123.08036	4.0
123.11708	3.2
125.09579	4.8
129.06953	3.1
131.04900	38.4
131.08511	21.4
133.10104	28.6
135.08049	9.7
135.11674	11.1
137.05934	20.4
137.09578	2.6
142.52921	2.6
143.08522	5.2
145.10136	22.6
147.08076	2.7
147.11653	17.6
149.09598	30.4
149.70396	2.7
151.11168	2.9
155.08540	5.3
157.10091	3.0
159.11649	16.6
161.13144	2.8
163.07486	9.3
163.11151	34.4
169.10031	3.1
171.11630	2.7
173.09610	7.9
182.01663	2.4
183.11671	2.5
214.93852	2.5
223.13220	14.9
226.22693	2.2
229.19495	4.8
239.17896	3.1
247.20378	2.7
250.93242	2.2
257.18939	14.1
275.20007	100.0
292.19818	2.4
293.21057	58.6
312.59836	2.4
381.64984	3.0
394.25330	2.3
441.29721	3.0
554.42249	2.6
638.26270	11.6
638.35895	3.1
639.28699	3.1
639.38599	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	638.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49160	6.5
55.05501	39.7
57.07063	10.8
62.02488	5.6
63.67776	5.5
63.74392	5.1
67.05496	41.0
69.07071	14.0
71.08616	6.1
75.31731	6.1
79.05466	32.6
81.03387	11.5
81.07034	59.1
81.53744	5.9
83.04963	7.8
83.08614	27.2
85.10179	6.7
87.51495	6.7
91.05470	31.1
92.08740	6.0
93.07032	28.7
95.04953	62.6
95.08584	25.7
97.10137	11.9
105.07009	25.9
107.04921	11.2
107.08615	31.2
109.06496	8.3
109.10134	25.2
117.07020	9.2
119.08575	25.0
121.05445	5.8
121.10138	12.9
125.09631	6.9
131.08510	8.3
133.10152	10.0
145.10100	10.9
160.28505	8.1
163.11148	25.2
165.12871	7.4
223.13307	11.6
275.20065	37.8
277.21826	7.4
293.21057	100.0
310.29132	6.3
523.39410	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	639.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62503	0.3
67.05478	0.6
68.29031	0.3
70.06548	0.5
72.08107	0.4
77.35283	0.3
85.02871	0.4
89.05197	0.3
91.05424	0.3
94.06529	0.4
95.04940	0.4
108.08072	0.4
122.05935	0.7
133.06438	0.6
133.07426	0.3
135.03214	0.3
135.08046	0.5
136.07486	0.7
137.05943	0.8
158.14436	0.3
161.05913	0.5
164.06989	0.6
167.06979	0.4
179.07100	0.4
185.10635	0.3
187.08656	0.5
189.10213	0.7
201.06596	2.5
202.07326	8.5
211.08537	0.6
213.10335	0.5
215.08023	0.5
217.09683	11.0
229.09563	0.4
231.11426	0.4
231.83513	0.4
233.09175	5.0
235.10730	2.3
239.08238	0.7
241.09641	0.6
245.09167	1.7
257.06424	0.5
257.09149	13.4
261.08643	100.0
263.10367	0.5
269.09268	0.5
285.08649	16.2
285.11853	0.6
287.10364	0.7
288.11243	1.5
293.11688	0.7
295.10730	0.4
299.10422	0.5
301.11679	1.8
302.12717	0.7
303.13583	0.4
305.11526	2.0
313.08170	10.3
315.13629	0.5
317.15381	1.4
322.11783	0.4
326.11261	3.5
331.09183	14.7
332.17679	0.3
347.12643	1.7
349.10480	0.4
349.14825	0.3
352.12802	7.7
360.13428	0.7
361.13965	0.6
362.14969	0.8
364.12720	10.2
364.16165	0.9
368.12277	0.6
376.16507	7.0
377.13715	0.4
382.13925	4.4
389.13574	0.7
390.14334	1.4
392.16205	0.6
393.13181	1.4
394.17493	1.6
398.16998	6.7
399.10349	0.5
402.14505	0.5
404.15881	0.6
409.12311	0.6
420.15393	6.4
422.17114	2.5
427.13638	0.7
438.16504	20.2
440.18036	2.3
455.13177	2.8
460.20782	0.4
466.16049	1.5
468.17612	1.3
469.14890	2.4
484.17068	29.4
485.17770	0.4
502.18170	9.1
621.25409	40.3
622.25586	1.4
639.26453	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56754	0.2
53.00285	0.3
53.03937	0.3
54.09040	0.2
54.72933	0.2
54.81153	0.2
55.01865	0.5
57.03428	6.9
58.36156	0.2
59.04977	1.4
60.04514	0.3
60.04973	0.2
61.02903	1.5
61.45399	0.2
65.03948	0.3
67.05530	0.3
69.03418	22.3
69.56895	0.2
71.04968	0.3
73.02912	0.4
75.04454	1.1
81.03407	1.6
83.01357	0.2
83.04993	0.3
85.02891	19.7
87.04448	11.7
91.03928	1.0
91.05455	4.5
97.02869	19.5
97.98563	0.2
99.04443	0.4
109.02847	1.1
111.04419	0.4
115.03912	12.8
115.05398	0.4
119.04922	18.5
123.04415	1.3
127.03894	2.4
131.04900	0.3
133.04948	9.5
133.06506	1.2
143.04898	1.1
145.04944	3.0
145.06020	0.3
145.06488	0.2
147.04391	100.0
148.04691	0.3
150.07582	0.4
151.03889	0.3
157.19865	0.2
161.05916	1.3
163.06010	0.3
165.05443	27.9
169.04964	0.3
171.04352	2.7
177.05429	1.0
183.04291	0.2
185.05852	0.2
189.05461	5.5
192.41969	0.2
197.05902	0.5
201.05421	0.6
207.06520	3.3
213.05525	0.4
223.05940	0.4
225.05452	0.3
236.68909	0.2
241.07132	0.3
243.06416	2.0
259.08060	0.9
261.07523	1.3
277.09097	0.4
279.08578	4.1
295.10104	1.1
300.13284	0.2
309.09482	1.7
325.11060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.6
77.00868	0.6
79.05462	0.5
81.07052	0.4
85.02853	0.4
85.09044	0.4
89.79533	0.4
91.05471	0.4
95.08624	0.5
121.02870	1.0
134.06644	0.4
159.02348	0.4
174.79233	0.4
178.68292	0.4
201.09734	0.7
215.11244	0.7
219.10703	0.5
239.11179	0.5
243.28154	0.4
253.12778	1.7
257.12265	0.5
263.44635	0.5
269.12396	0.7
271.13821	1.0
275.19977	0.6
315.18015	0.5
328.18805	1.7
333.20303	100.0
334.20853	1.6
351.20099	1.8
371.16992	1.7
407.18298	0.4
508.08643	0.4
540.31738	0.6
552.27576	0.4
638.35608	0.7
639.32758	0.4
661.75214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	1.3
69.68867	1.0
81.07050	2.1
83.08589	1.1
85.81487	1.0
93.07036	1.6
218.18948	1.2
226.61386	1.1
251.84647	1.3
263.92395	1.2
282.39523	1.0
313.97318	1.2
430.17908	4.3
444.19528	2.3
445.20050	9.1
446.21368	1.8
458.20984	7.9
459.21655	7.1
460.22498	7.3
475.21707	2.6
498.55240	1.3
518.22882	5.9
533.25153	1.6
535.23682	1.2
577.27802	2.1
605.27496	16.2
616.54895	1.2
637.30133	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
65.75015	0.8
67.05509	1.2
71.77451	0.9
73.81277	0.8
79.05502	0.9
81.07027	2.0
82.72938	1.1
91.05438	0.9
93.07030	1.2
113.40598	0.9
130.09706	1.0
133.10155	0.9
136.70451	1.0
188.29980	0.9
226.34882	1.1
309.24124	1.1
391.19324	1.6
400.17004	1.3
403.19067	1.2
405.20801	6.4
406.21530	7.7
412.17706	1.1
413.18027	1.5
414.17334	1.4
415.19427	8.0
417.20840	1.5
419.22467	1.9
420.23199	6.7
421.23700	13.9
427.19412	2.1
428.20053	5.6
429.20724	16.5
430.21509	4.4
433.24454	1.8
443.22363	10.7
444.23016	5.1
445.20352	4.8
457.24301	1.6
458.24817	7.4
459.21564	10.8
460.22504	5.7
461.19363	11.1
470.20972	1.1
472.22412	8.1
473.19055	1.6
475.21414	4.0
476.21820	7.7
485.23538	13.8
486.20157	1.6
486.24249	1.6
488.21921	5.7
490.23428	1.1
500.21518	1.5
503.24228	21.8
504.22009	1.5
513.22772	3.6
517.25977	11.7
529.25635	1.3
535.26965	26.9
545.25372	82.7
563.26483	4.3
573.25000	19.5
577.27802	1.7
578.28503	1.9
605.27460	63.2
637.30084	100.0
638.30579	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10107	3.0
57.58751	2.9
61.76534	3.0
66.45822	2.9
67.31152	3.2
81.07023	4.7
92.09434	7.8
117.07161	3.2
133.82552	3.5
209.10789	3.5
223.12265	3.7
356.90289	3.4
366.48288	4.0
476.22104	13.7
562.25226	16.7
563.26404	4.4
577.27826	5.0
637.30017	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	637.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81812	1.7
55.01864	1.7
55.05499	6.7
59.19278	1.5
61.20799	1.6
67.05159	1.6
67.05489	10.3
69.07046	7.5
73.28860	1.5
76.56047	1.5
76.56507	1.5
79.05473	9.5
80.05795	1.6
81.07030	10.0
83.08614	2.4
91.05469	8.4
93.07035	6.5
95.04945	6.2
95.08611	2.8
97.06506	1.8
100.03085	1.6
105.07009	6.2
105.50522	1.5
107.08605	2.6
109.10148	3.0
117.06974	2.2
121.10174	2.6
125.09641	2.3
128.06221	1.6
131.04883	1.8
145.10106	3.2
151.11122	1.7
160.59871	1.6
163.11337	1.9
204.07558	3.2
210.95261	1.6
267.19507	1.7
275.19998	2.6
293.21204	2.5
637.36926	100.0
637.45923	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	637.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81948	0.7
55.05513	1.0
57.07085	0.6
67.05494	1.1
69.07066	0.6
70.88888	0.5
71.73522	0.6
79.05469	0.8
81.07037	0.8
91.05469	1.1
93.07036	0.7
95.04950	0.6
99.08128	0.6
105.07031	0.7
107.08636	0.8
145.10161	0.7
149.09657	0.7
237.56412	0.7
295.22836	0.8
499.23199	0.6
522.38934	0.9
637.37024	100.0
637.46442	8.0
638.37610	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	637.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10538	0.7
55.92001	0.6
57.07046	0.8
58.27850	0.7
67.05495	1.0
69.50870	0.8
71.08596	0.8
79.05489	1.3
81.07039	3.7
83.04970	0.9
95.04944	1.4
95.08600	1.3
97.51124	0.8
115.54081	0.7
279.60269	0.9
291.19666	1.1
294.21063	0.8
522.38782	1.4
637.46448	100.0
638.46698	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	637.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84077	0.3
67.05492	0.6
69.07056	0.3
71.08608	0.3
79.05468	0.5
81.07036	1.6
91.05444	0.3
92.61876	0.4
93.07027	1.2
95.04895	0.4
119.08589	0.5
120.26350	0.3
154.59015	0.3
261.74390	0.3
365.23169	0.4
497.93457	0.4
507.68182	0.3
637.46417	100.0
638.46838	2.9
650.76154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44448	0.4
64.47691	0.3
65.53499	0.4
76.56204	0.4
81.07034	0.5
87.37887	0.4
91.05447	0.9
93.07048	0.6
105.07026	0.6
108.08092	2.7
119.04922	0.6
119.08525	0.6
121.06496	0.5
122.06016	2.0
124.07565	0.9
126.18108	0.4
131.04964	0.5
136.07567	3.4
138.09103	2.5
154.08614	0.6
164.07048	6.0
164.10649	1.7
174.09099	0.7
176.10721	0.4
177.37915	0.4
178.08635	0.4
184.55115	0.4
185.10762	0.4
186.41145	0.4
187.08649	0.7
189.10207	1.7
191.08095	0.6
197.07071	0.5
198.07793	0.5
200.09447	1.8
201.06538	2.9
202.07303	10.9
203.08131	8.8
204.06577	3.6
204.10220	0.5
205.09807	0.4
206.08125	2.4
210.10901	0.5
212.09445	1.6
213.10202	2.2
215.08118	1.6
217.09694	13.6
218.08243	0.5
225.10115	0.5
229.06245	0.7
229.09705	1.0
230.08112	0.5
231.11211	1.0
233.09229	8.4
235.10732	5.3
239.08121	0.8
241.09775	1.8
245.09181	7.6
246.07431	0.6
257.09161	26.6
259.10709	2.1
261.08658	100.0
262.08945	0.5
263.10193	7.8
269.09229	1.0
271.10721	0.6
274.13080	0.8
275.10193	0.5
275.13937	2.7
277.11734	0.6
284.11557	1.8
285.08664	30.3
285.12122	2.3
286.09238	0.6
287.10272	4.2
301.11804	3.0
305.11298	11.7
305.14682	0.8
305.82870	0.5
313.08130	22.5
316.14395	0.5
322.11569	0.6
331.09207	26.3
331.13235	0.8
336.13400	1.0
350.14948	2.2
362.15271	0.4
377.13559	1.9
378.18274	4.0
380.19778	0.6
391.15155	0.5
392.19824	0.9
398.17001	21.7
406.17545	14.7
408.19159	2.7
410.13425	0.5
422.17004	0.9
425.15802	0.5
426.20367	5.1
434.16623	0.6
436.18607	11.0
438.20020	1.6
444.21100	3.5
452.17917	2.6
453.15051	1.9
464.18658	0.6
467.16226	0.5
468.17557	27.3
470.18613	0.6
482.19077	11.0
496.02808	0.5
508.49847	0.5
589.26392	3.3
605.25702	0.9
607.27155	2.7
619.27570	26.6
637.28497	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	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.3
67.05482	7.8
71.02454	3.2
79.05440	2.2
91.05452	8.8
93.07024	9.5
94.06544	12.4
95.04952	3.5
96.04485	2.3
96.08134	1.9
98.06030	3.0
108.08106	15.3
110.06026	3.6
111.70379	1.4
119.04906	8.6
120.08148	2.1
121.06503	2.1
122.06001	57.0
123.06725	2.0
124.07556	15.0
134.05959	1.7
136.07558	57.4
138.09123	46.6
140.07019	2.6
146.06070	2.2
146.09619	3.2
147.04399	3.1
148.07576	2.5
150.05470	8.8
154.08609	1.6
160.07468	5.5
162.05466	6.0
163.08620	3.6
164.07025	100.0
164.10681	6.5
173.07053	2.0
174.09096	18.2
175.08627	3.8
176.10748	2.0
177.06566	15.6
181.09691	22.3
184.07581	1.6
185.10649	2.7
186.05392	2.4
187.08615	5.8
188.06993	8.0
188.10611	2.0
189.10185	6.5
191.08116	33.0
192.10133	3.7
199.08510	5.9
200.07063	9.7
200.09128	1.5
201.06583	12.4
202.08702	33.3
203.08122	73.7
204.06541	36.3
205.09702	2.9
211.08566	2.3
213.10179	9.2
215.08163	7.1
215.11699	2.6
216.10182	3.2
217.09685	48.5
218.08076	2.9
218.10327	1.9
219.11301	9.1
220.09561	3.0
225.10191	3.0
226.10939	2.6
227.08110	8.9
227.11749	6.8
228.06532	3.0
229.05989	27.1
229.09756	6.0
230.08142	21.1
231.07700	7.0
231.11237	3.7
233.09181	6.9
233.12935	2.3
235.10715	8.9
241.09698	8.7
241.13210	3.0
242.08017	1.8
242.14043	2.4
243.07585	12.3
243.11264	8.0
244.09590	3.3
245.09155	79.3
245.12825	11.6
246.07538	11.0
247.10765	7.7
248.09122	11.2
257.09140	13.4
257.12720	7.5
259.10712	20.2
259.14255	9.2
260.14651	2.6
261.08630	41.8
261.12207	6.9
262.08820	2.4
263.10214	78.0
265.11691	2.2
269.09152	6.5
271.07162	16.2
272.09091	6.8
273.12228	3.7
274.13211	2.8
275.13800	11.6
277.11780	8.1
279.13306	1.9
285.08667	10.0
285.12268	30.8
286.09067	2.0
286.12506	7.4
287.10181	41.8
287.13077	2.3
288.08548	2.4
289.08536	4.2
289.11731	9.5
291.09753	1.8
291.13242	2.4
299.13803	2.9
301.11749	42.7
305.07748	3.1
305.11258	70.9
307.12704	18.1
313.08102	11.8
315.09476	2.9
317.14963	2.7
319.12955	3.4
319.16913	2.2
322.15256	8.9
327.45642	1.7
329.11246	3.3
331.09296	6.9
333.10666	7.5
348.17114	2.0
364.16354	2.7
366.17911	16.5
378.17841	6.2
382.20923	3.0
392.15887	2.0
398.16818	3.6
400.18359	2.0
406.17615	15.4
407.17633	1.8
408.19339	11.7
420.19128	12.6
421.20032	1.9
424.18552	9.7
426.20364	29.3
428.21793	15.1
434.16705	6.7
438.20108	10.3
444.21237	26.1
450.16452	13.8
452.17953	39.4
468.17484	22.9
469.17883	2.7
470.19153	47.9
482.19092	16.5
483.19254	3.4
484.19299	2.9
543.25500	2.0
571.25275	6.7
589.26447	77.4
601.26270	2.1
607.27539	72.0
619.27557	15.2
637.27948	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	637.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25021	2.2
55.01875	5.3
56.17997	2.0
57.75120	2.2
59.38595	2.1
60.89225	2.0
67.05502	5.8
73.02934	2.3
81.03445	3.0
85.02889	3.6
91.05467	4.7
92.08656	4.4
93.07038	10.8
94.06580	5.9
96.08109	5.8
97.06493	2.5
108.08129	11.7
110.09666	13.3
115.80161	2.5
115.81046	2.9
119.04939	4.1
120.08100	12.1
122.05997	35.5
122.09681	3.2
124.07580	14.2
136.07581	28.9
137.05966	3.9
138.09117	65.6
139.09499	14.6
146.09706	3.5
147.04439	4.8
162.05447	5.7
163.07504	3.3
164.07040	59.5
164.10704	4.0
172.07646	3.9
174.05490	3.2
174.09137	17.4
177.06668	5.4
181.09697	6.3
182.09758	2.5
186.12799	3.2
188.07077	4.5
188.10727	4.8
190.12253	5.9
191.08090	18.8
192.10054	2.6
200.07120	5.0
201.06635	4.7
202.08763	19.4
202.12263	16.0
203.08104	43.8
204.06589	22.1
213.10231	10.8
215.11842	6.0
215.15436	4.2
216.10277	4.1
217.09698	31.9
226.12375	4.1
227.08125	5.1
227.11940	2.7
228.13945	2.9
229.06146	14.8
229.09705	3.4
230.08214	4.2
231.11336	3.8
235.10759	4.3
241.09688	3.1
241.13382	9.7
242.08182	3.2
242.10425	3.6
243.07469	3.2
243.11290	2.9
243.15033	3.9
245.09166	36.7
245.12837	3.9
246.07599	6.2
247.10735	4.2
248.09108	4.1
255.11192	2.6
257.09201	17.4
257.12939	3.8
259.10809	15.3
259.14420	12.9
260.14447	4.0
261.08682	43.1
263.10165	46.7
269.09192	4.4
271.07153	5.3
273.12473	3.8
275.13849	3.0
285.08643	5.6
287.10199	33.1
301.11771	56.0
305.11237	41.3
307.13171	3.2
313.08151	10.7
331.09061	4.1
366.18201	6.4
367.16714	3.7
378.18066	5.8
382.21124	5.5
398.17081	6.4
406.17389	11.9
424.18552	4.2
426.20239	20.3
434.17245	3.5
438.20035	5.4
444.21249	20.0
450.16489	10.6
452.18069	29.0
456.21310	10.5
468.17526	11.1
470.19095	17.3
482.19498	5.0
543.25897	13.7
561.26550	10.7
571.25409	50.9
573.26825	3.9
589.26453	63.0
591.27679	6.1
601.26678	29.0
607.27399	45.8
619.27551	100.0
637.27887	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	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.5
65.03953	1.3
65.97256	1.5
67.05491	12.0
67.90493	1.2
71.02448	2.3
71.72955	1.2
76.04097	1.1
81.07014	1.7
91.05454	6.2
93.07030	10.7
94.06522	12.9
95.04930	2.7
95.08581	2.4
96.04474	1.5
106.06569	1.9
108.08105	13.7
110.06020	2.0
118.06474	1.9
119.04899	8.4
120.08108	2.2
121.06468	3.0
122.06004	46.8
123.06823	2.9
124.07552	6.5
131.08633	1.5
134.05954	2.1
136.07558	54.6
138.09119	33.6
140.07034	2.0
146.09637	2.9
147.04401	5.6
148.07559	3.3
149.07089	1.7
150.05504	5.8
158.06004	2.3
160.07530	3.1
162.05486	6.8
163.08546	5.7
164.07034	100.0
164.10675	2.5
172.07542	6.0
174.05412	1.5
174.09068	14.1
175.08685	3.1
176.07031	2.2
176.10634	2.0
177.06607	14.1
181.09677	14.1
182.08188	1.9
185.39188	1.8
186.05486	3.1
187.08609	3.1
188.07019	8.6
189.10216	6.2
191.08122	27.5
192.06471	1.7
192.10100	3.2
199.08589	1.8
200.07010	6.4
200.09241	1.5
201.06557	7.3
201.10138	1.8
202.08678	30.4
203.04504	2.2
203.08128	69.2
204.06552	38.3
205.09721	1.6
206.08104	2.9
213.10153	8.3
215.08131	7.2
215.11798	4.9
216.10187	2.9
217.09688	43.2
218.08043	6.6
219.11240	7.2
220.09631	2.8
227.08081	5.7
228.06697	2.3
229.06056	27.4
229.09743	5.5
229.13354	2.5
230.08186	15.4
231.07588	2.9
231.11189	3.3
233.09070	2.6
234.09868	1.9
235.10748	5.2
241.09714	8.4
242.10468	1.8
243.07561	12.2
243.11246	6.4
243.14861	1.8
244.09641	2.3
245.09148	72.9
245.12779	5.1
246.07648	11.3
247.10675	6.9
248.09039	10.1
255.11305	1.7
257.09091	6.9
257.12811	7.7
259.10703	14.7
259.14145	2.2
261.08633	32.6
261.12061	4.9
263.10196	81.3
269.09116	6.9
271.07047	15.5
271.10263	1.9
272.09103	5.1
273.08578	1.6
273.12198	5.4
274.13071	3.1
275.13803	16.1
277.11780	7.2
285.08661	7.3
285.12314	6.1
287.10172	45.0
289.08136	3.0
289.11676	3.2
299.13855	2.3
301.11734	47.9
305.11252	64.0
307.12991	14.7
313.08173	8.6
315.09717	2.5
319.13049	3.1
319.16666	2.3
322.15436	5.6
326.15176	1.8
329.11084	1.9
331.09354	1.5
333.10867	6.6
336.16931	2.5
338.11124	1.6
339.16724	2.5
352.16339	2.7
360.16907	1.5
364.16479	2.0
366.18088	13.3
378.18039	7.0
381.17740	2.0
384.02603	1.6
398.16592	3.0
406.17447	12.3
420.19177	10.8
424.18518	9.3
426.20425	34.4
434.17197	6.0
438.20044	7.6
444.21204	36.3
450.16010	11.3
452.18054	36.0
468.17328	19.4
470.19037	34.0
482.19034	5.8
543.26068	2.7
550.33453	1.4
571.25708	9.3
573.26654	2.3
589.26489	76.7
595.50940	1.6
607.27533	54.4
619.27600	15.3
637.28070	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	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14163	0.4
55.05494	1.1
57.88086	0.5
59.09193	0.5
62.98221	0.5
63.80572	0.5
67.05486	1.1
69.25017	0.5
79.05489	1.2
81.07047	3.7
93.07011	0.8
95.08580	1.1
97.06515	0.6
102.13847	0.7
104.07066	0.7
107.08557	0.8
163.11118	0.8
183.09053	0.7
197.10744	0.8
216.70291	0.6
221.10733	0.8
365.23184	0.6
376.17639	0.6
377.17715	1.0
378.18076	0.8
387.16132	0.7
388.17480	0.9
390.18890	0.9
391.19113	2.6
392.19855	1.1
393.20715	2.9
399.15970	2.4
400.16998	3.5
401.17694	4.0
407.22247	3.1
413.17703	3.6
414.18478	6.2
415.19116	11.3
416.20300	0.8
420.19110	1.1
421.20395	4.4
427.19122	2.7
428.20013	4.0
429.16040	1.2
429.21405	9.3
430.21902	1.3
435.21957	3.1
436.22134	0.8
441.16779	1.1
442.18134	1.3
443.18353	4.5
443.22568	4.6
444.18472	5.6
445.20145	3.3
447.17493	1.0
455.18726	1.3
456.19440	1.0
457.20605	7.1
458.20984	4.0
469.15948	0.7
471.22342	8.1
472.22879	7.5
473.19708	6.0
474.20221	1.4
476.18521	0.8
484.18967	0.9
485.19656	4.0
486.20154	8.9
487.21414	4.2
488.22174	1.3
489.23123	1.5
490.19849	3.0
491.20477	1.0
499.21198	12.9
500.21918	3.1
502.20273	0.9
503.24741	5.7
517.22449	4.3
521.37396	0.7
527.20770	2.3
528.21631	1.1
531.23871	16.4
543.23413	0.8
549.25043	1.4
559.23309	85.2
560.23712	3.7
587.22839	15.9
619.25397	100.0
620.26001	5.0
637.26654	12.3
637.46393	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	637.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81981	0.8
55.05490	0.7
59.97107	0.7
66.40610	0.7
67.05489	1.0
69.50675	0.7
81.03381	0.9
85.02888	1.1
91.05460	1.5
93.81960	0.8
122.06008	1.2
122.09628	1.2
124.07565	0.9
125.91771	0.8
136.07596	1.8
137.05960	1.5
149.62340	0.7
164.06985	7.5
164.10716	3.2
203.08197	1.8
217.09760	1.7
225.10291	1.5
235.10733	3.1
245.09148	4.5
249.14056	0.8
257.09164	1.4
261.08704	8.6
263.10184	4.2
269.09128	1.9
271.10507	1.6
275.13864	0.9
277.11841	1.1
284.11459	8.6
285.08905	1.5
285.12283	6.8
287.10245	0.9
291.13736	2.9
305.11337	5.5
306.15939	1.8
319.16907	1.6
322.11996	1.2
331.09265	1.2
332.13849	0.9
334.18768	1.1
336.13339	10.8
347.16312	0.9
348.13504	1.1
350.14935	16.5
361.13950	1.3
362.11249	1.1
362.18719	1.2
364.12555	1.2
364.16617	4.0
367.11334	1.3
376.12985	1.7
377.13678	9.8
378.18195	20.3
380.19522	1.9
391.15573	3.8
392.19843	5.9
398.16876	1.2
406.17569	81.1
407.17725	1.4
408.19345	11.2
422.16711	1.4
423.14200	2.8
425.15775	1.7
426.20361	1.3
434.17139	4.1
436.18643	54.8
437.19025	1.0
438.20209	5.5
444.21069	1.1
449.15784	1.2
452.17868	5.2
453.15329	11.8
464.18210	6.7
467.16998	7.3
468.17447	1.7
482.19107	45.0
607.27673	1.5
619.27515	100.0
620.28168	1.2
637.28448	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	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80070	1.2
54.81744	1.2
55.05513	1.5
57.20361	1.1
63.89578	1.4
67.05481	2.0
69.07047	2.2
78.70932	1.4
79.05462	5.8
81.07021	8.4
83.00076	1.2
83.08616	1.5
93.07029	2.4
95.08568	5.8
119.08566	1.9
121.06476	1.5
129.85402	1.5
133.10040	1.4
141.75215	1.3
237.10272	1.7
264.23883	1.3
275.19659	1.4
291.19199	1.4
387.15869	1.7
393.20676	3.0
399.16025	2.6
400.16937	5.3
401.17551	3.2
407.22293	5.1
413.17947	2.3
414.18256	5.5
415.19104	12.0
421.19992	3.0
428.20197	2.9
429.20667	9.0
431.18350	1.6
443.17755	2.8
443.22748	2.9
444.18851	5.1
445.20316	2.4
457.20026	7.5
458.20908	6.9
471.21915	9.6
472.22928	2.1
473.19519	5.3
485.19577	6.5
486.20352	6.2
499.21234	13.1
500.22104	2.1
503.24475	3.4
513.18597	1.8
517.22168	2.3
527.20203	2.9
531.23810	13.0
559.23352	94.2
560.23792	2.1
587.22791	17.6
619.25458	100.0
619.66711	1.4
637.26740	18.6
637.46442	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	636.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02999	0.8
53.03940	2.1
55.01859	11.2
55.05503	35.3
57.03426	1.5
57.07071	1.4
59.04992	1.1
64.33491	1.0
67.05492	29.9
69.03415	4.7
69.07059	16.6
71.04989	1.7
71.08610	8.6
78.01276	1.0
79.05474	35.6
81.03407	8.6
81.07036	47.0
83.04951	7.9
83.08597	21.7
85.06532	1.5
86.09683	6.3
91.05455	24.2
93.07024	26.5
95.04947	47.9
95.08575	16.1
97.06495	5.8
97.10142	19.2
99.08089	2.3
103.05410	1.0
105.04507	0.9
105.07011	21.4
107.04929	16.9
107.08582	17.6
108.08875	1.2
109.06517	11.8
109.10130	6.9
111.04412	5.8
111.08068	2.3
117.06998	14.0
119.08558	21.2
121.06499	16.3
121.10110	10.9
123.08054	4.7
125.00001	5.0
125.09600	13.7
128.06195	1.6
129.06976	7.0
131.08551	14.3
132.08846	1.2
133.06474	4.5
133.10101	8.2
135.08029	10.1
135.11664	6.9
137.09656	1.1
139.11223	1.3
143.08543	5.6
145.06473	2.3
145.10106	16.1
147.08014	9.7
147.11659	6.3
149.09619	10.8
151.11142	1.8
153.09055	7.9
153.12730	1.7
155.08510	1.5
157.10149	2.5
159.08128	1.2
159.11665	6.1
161.09604	6.3
163.11162	14.6
165.08980	3.0
165.12741	4.5
169.10118	1.3
171.11688	2.4
173.09544	1.4
173.13298	1.2
177.12782	4.1
184.07307	15.3
185.13194	1.0
187.11226	1.4
189.11099	7.4
191.10612	2.2
193.11948	1.2
223.13197	12.3
249.14833	4.9
255.17386	1.9
257.18912	1.2
273.18417	16.2
275.19943	16.4
291.19485	67.8
292.19827	1.1
293.21051	100.0
295.22726	1.4
309.20520	4.6
434.41840	1.2
487.96579	1.1
490.13089	1.0
565.37537	1.6
583.39941	11.9
601.40662	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	636.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76856	1.3
51.97544	1.4
53.00311	1.4
53.03941	9.2
55.01867	21.4
55.05507	52.6
57.03431	3.8
57.07085	5.5
63.63588	1.4
65.03930	1.7
67.05496	69.9
69.03423	8.3
69.07050	26.9
70.49119	1.6
70.81223	1.8
71.04983	3.8
71.08620	3.6
76.60891	1.5
79.05482	69.8
81.03407	13.2
81.07043	100.0
83.04958	19.0
83.08610	27.4
85.02879	2.4
85.06522	2.6
91.05463	53.6
93.07024	56.9
95.04951	77.9
95.08585	40.0
97.06499	11.5
97.10147	27.5
99.08104	2.7
103.05441	1.9
105.07008	42.0
107.04954	27.7
107.08574	46.0
109.06512	16.2
109.10153	25.4
111.04417	8.3
111.08078	10.4
113.09632	2.0
117.07005	24.3
119.04904	1.9
119.08585	37.4
121.06494	15.9
121.10125	24.9
123.04431	6.2
123.08046	14.9
125.09589	18.7
129.07027	10.2
131.08571	24.6
133.06491	3.2
133.10118	27.8
135.08070	10.2
135.11708	17.3
137.09618	10.7
139.11145	2.1
142.07813	2.4
143.08569	8.5
145.06487	3.7
145.10100	24.4
147.08041	16.6
147.11682	9.9
149.09595	28.1
149.13307	2.7
151.11160	12.0
153.09050	12.4
153.12704	2.3
155.08496	2.1
157.10152	6.7
159.08055	2.6
159.11714	12.6
161.09619	12.5
161.13293	3.2
163.11148	32.3
165.09053	3.5
165.12790	3.3
169.10049	2.5
169.92529	2.3
171.11685	4.1
173.09605	3.7
173.13283	2.2
175.11090	3.5
177.12712	2.9
181.12184	3.3
185.13272	2.2
187.11279	2.7
189.11232	10.4
191.10628	6.9
193.12312	2.5
210.14581	1.6
213.12906	1.8
223.13290	16.9
227.12675	2.6
227.17802	2.4
229.19525	2.4
245.18964	3.3
249.14801	2.1
255.17480	3.2
257.18997	7.8
261.59323	1.8
261.65259	1.9
268.88599	1.7
273.18488	23.8
275.20041	42.3
277.21591	3.3
289.17862	2.9
291.19531	64.6
293.21091	91.8
309.20633	7.9
318.60461	2.0
349.70435	2.1
375.35831	1.9
521.38373	7.8
559.23212	7.3
583.39703	2.6
601.41229	6.0
619.25275	6.5
628.59973	1.9
637.26312	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	636.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.1
53.69566	1.2
54.88831	1.4
55.01867	17.6
55.05505	79.0
57.03426	3.3
57.07048	1.7
58.34768	1.1
65.03922	2.1
67.05148	2.8
67.05490	77.3
69.03419	2.4
69.07053	39.6
71.04970	2.3
74.55322	1.3
79.05476	73.8
81.03395	32.5
81.07038	92.3
83.04970	26.1
83.08604	58.0
85.06514	6.8
88.04769	1.4
91.05457	62.7
92.09248	1.7
93.06419	2.1
93.07018	60.6
95.04945	96.7
95.08588	46.5
97.06510	19.1
97.10148	26.6
99.08080	2.6
103.05397	1.6
104.83098	1.4
105.06286	2.3
105.07007	60.5
107.04289	2.3
107.04945	32.9
107.08580	43.9
109.06502	24.0
109.10133	19.4
111.04415	8.5
111.08064	13.7
117.06995	33.0
119.08553	56.3
121.06494	18.5
121.10125	35.5
123.08037	20.6
123.11728	2.6
125.09595	23.2
129.06979	12.6
130.07707	2.2
131.04900	1.7
131.08542	37.2
133.06436	3.5
133.10107	31.8
133.59438	1.6
135.08026	17.7
135.11670	19.4
137.09586	7.9
141.06947	1.6
142.07780	1.8
143.08521	10.2
145.06419	5.9
145.10101	45.7
147.08015	19.3
147.11688	19.4
149.09605	47.2
149.13191	3.4
151.11156	3.3
153.09091	3.1
153.12775	2.8
155.08533	7.9
157.10092	6.2
159.08031	2.7
159.11639	20.3
161.09583	9.0
161.13248	3.4
163.11137	61.7
165.09055	2.6
165.12750	9.3
169.10100	8.8
171.11665	6.7
173.09563	9.8
173.13268	6.4
173.45131	1.5
175.11169	7.1
177.12715	6.4
181.12178	3.3
183.11632	6.3
185.13290	1.9
187.11211	5.6
189.11189	14.4
191.10638	5.9
191.14256	1.6
193.12166	2.8
195.11554	1.8
197.13254	2.7
201.12685	2.4
205.12271	1.9
213.16464	1.9
223.13263	34.2
227.12743	3.4
229.19437	2.2
239.17937	12.4
245.18945	1.6
247.20581	1.9
257.18887	9.1
266.76160	1.6
273.18442	20.0
275.19989	100.0
291.19498	73.9
293.17712	3.2
293.21051	87.9
309.20541	25.9
388.92538	1.7
467.51907	1.7
531.50970	1.5
583.39557	6.2
616.51843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01865	14.9
55.05505	36.8
57.03424	5.2
57.07058	1.5
61.18386	1.3
62.29544	1.0
67.05137	2.4
67.05487	44.4
69.03403	6.0
69.07050	15.4
71.04990	2.4
75.63436	1.2
79.05476	48.7
79.73203	1.2
81.03397	6.9
81.07038	98.5
83.04956	13.2
83.08596	19.4
85.02885	1.5
85.06522	1.5
91.05456	35.5
93.07015	34.7
95.04951	23.1
95.08579	22.7
97.02872	1.9
97.06490	5.0
97.10145	25.7
103.05453	1.5
105.07000	33.9
107.04935	17.8
107.08587	25.2
109.06512	18.0
109.10136	8.5
111.04456	9.7
111.08051	7.5
115.05444	2.1
117.07005	19.6
119.08557	40.9
121.06499	9.9
121.10101	13.7
123.08044	10.4
123.11651	1.6
125.09580	16.4
128.06171	1.5
129.06969	8.7
131.08549	16.0
133.06470	5.8
133.10100	14.2
135.07994	9.3
135.11673	7.3
137.09604	2.2
143.08522	6.3
145.06459	2.1
145.10127	22.3
147.08038	12.9
147.11682	12.5
149.09607	13.9
149.13252	2.5
151.11171	1.4
153.09116	2.6
153.12662	2.2
155.08516	1.2
157.10097	7.6
159.08064	2.3
159.11665	7.2
161.09584	9.5
161.13181	1.8
163.11168	13.3
165.09032	5.8
171.11684	5.0
173.09547	2.1
175.11162	3.0
181.12198	1.8
184.02068	1.5
185.13261	1.8
189.11180	8.3
191.10577	2.6
193.12230	1.9
223.13232	2.6
227.12657	3.0
227.17868	1.9
245.18864	2.0
247.20639	3.1
249.14848	5.0
255.17265	1.7
273.18414	25.3
275.20010	33.6
291.19476	100.0
293.21051	8.3
309.20554	8.3
369.38412	1.3
583.39648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
54.81606	1.2
55.01866	18.2
55.05504	56.7
55.33529	0.9
57.03429	1.3
59.04990	1.3
65.03917	1.6
67.05491	40.5
69.03407	5.5
69.07064	18.9
71.04971	5.4
73.02898	1.5
74.96574	1.1
77.72880	1.0
79.04999	1.9
79.05473	58.4
81.03403	8.6
81.07039	78.1
83.04952	13.0
83.08607	33.3
85.02894	2.3
85.06524	1.3
91.05463	41.4
93.07027	40.0
95.04947	66.2
95.08582	23.2
97.06506	7.1
97.10157	28.7
99.04459	2.0
105.03381	1.4
105.07016	33.8
107.04935	19.6
107.08574	33.2
109.06512	14.3
109.10143	12.2
111.04420	15.8
111.08076	7.7
115.05426	2.6
117.07001	24.0
119.08561	45.6
121.06503	14.3
121.10104	18.2
123.08060	15.2
125.09615	17.9
128.06215	2.1
129.06964	9.8
130.07799	1.9
131.04919	1.3
131.08545	23.1
133.06471	5.0
133.10114	12.4
135.08041	10.9
135.11646	11.5
137.05948	1.9
137.09608	1.7
139.11128	2.2
143.08533	6.1
145.06506	2.8
145.10106	23.7
147.08040	19.6
147.11678	7.3
149.09599	22.4
149.13239	1.5
151.03886	4.9
153.09088	7.1
153.12680	2.1
155.08527	2.2
156.09259	1.4
157.10138	8.5
159.08032	2.3
159.11647	11.8
161.09613	7.1
163.11147	25.7
165.09128	5.8
165.12781	1.8
169.10065	1.8
171.11581	3.9
173.09618	6.7
175.11111	5.1
177.09041	2.6
177.12711	1.7
178.09421	1.7
181.12233	6.5
183.11624	1.8
185.13304	2.7
189.11198	10.9
189.12697	1.9
191.10579	1.9
195.47998	1.5
197.08057	4.7
199.11208	1.3
202.15910	2.6
203.16138	2.4
205.12152	2.3
223.13254	24.0
227.12758	2.4
227.17868	1.5
239.17815	1.6
245.18970	1.6
249.14874	4.4
255.17303	5.2
257.18973	4.9
269.11520	1.6
273.18390	26.3
275.19998	35.5
291.19476	100.0
293.21109	19.3
301.13910	1.3
306.21191	1.2
309.20663	7.6
319.80487	1.2
459.30298	1.3
530.76477	1.3
547.37543	1.3
565.38965	4.1
637.26221	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	636.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.8
53.03938	5.0
55.01861	14.1
55.05505	50.5
55.14561	0.9
57.03429	4.9
57.07064	4.8
57.66976	0.8
65.03915	1.1
67.05494	47.3
67.05852	2.0
69.03416	7.8
69.07053	22.3
71.04977	4.1
71.08607	2.0
74.45584	1.0
77.03908	0.9
79.05475	67.2
81.03408	8.8
81.07038	90.5
81.95840	1.1
83.04974	16.2
83.08601	26.8
85.02888	2.2
85.06535	2.3
87.04424	1.6
89.06015	2.3
91.05460	49.1
91.05997	2.1
92.08659	1.9
93.07022	42.9
95.04948	27.6
95.08588	27.5
97.02866	1.2
97.06499	9.9
97.10151	27.8
101.05939	1.0
103.05451	1.1
104.69972	0.9
105.03362	1.3
105.07013	40.5
107.04946	17.2
107.08578	30.8
109.06503	14.0
109.10147	13.6
111.04424	11.0
111.08104	7.1
115.05450	1.7
116.06229	1.2
117.07004	28.1
119.04986	1.5
119.08562	38.3
120.70877	1.0
121.06496	18.5
121.10133	16.8
123.08063	15.2
123.11698	2.0
125.09608	17.3
128.06226	1.6
129.06996	12.4
130.07764	1.5
131.08549	22.9
131.21964	1.1
133.06485	4.9
133.10103	18.7
135.08015	13.2
135.11674	11.7
137.09616	4.0
139.11182	1.1
141.06960	2.1
143.08511	7.5
145.06474	1.3
145.10098	25.5
147.08038	21.7
147.11615	8.0
149.09613	17.4
149.13168	3.5
151.11113	4.0
153.09004	7.5
153.12741	2.4
155.08542	4.2
157.10118	8.8
159.08061	4.5
159.11642	11.1
161.09570	10.0
161.13264	1.9
163.11168	14.2
165.09148	5.9
167.08502	1.7
169.10100	1.9
171.11679	5.8
173.09560	4.6
173.13223	2.0
175.11125	5.1
177.12709	1.3
181.12311	4.6
183.11705	2.1
185.13292	5.8
189.11191	10.2
189.12691	1.5
191.10693	4.5
197.13289	1.3
223.13295	7.3
227.12708	2.3
227.18039	2.0
237.18642	1.4
245.18994	4.1
249.14745	3.7
255.17419	4.0
257.18930	2.0
273.18417	31.9
275.20013	19.9
291.19485	100.0
293.20993	3.9
309.20581	6.1
359.17044	1.1
398.54489	1.4
485.32617	3.7
538.63849	1.1
583.40265	1.4
637.26129	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31173	1.9
52.57708	1.9
55.01859	11.9
55.05500	50.7
57.03446	2.1
57.07066	4.2
62.10188	2.4
67.05494	49.7
69.03429	2.6
69.07043	25.7
71.04967	2.6
71.08619	2.9
76.96757	2.2
77.49815	2.6
79.05478	64.6
81.03398	11.2
81.07041	81.8
83.04962	12.9
83.08611	27.7
84.80574	2.4
89.06013	13.2
91.05464	48.9
92.09274	5.4
92.57930	2.6
93.07027	39.3
95.04955	26.6
95.08598	19.3
97.06514	10.9
97.10152	27.8
103.05437	2.8
105.07018	48.3
107.04935	15.3
107.08594	30.7
109.06515	12.5
109.10146	10.7
111.04426	5.5
111.08083	5.0
117.07008	26.9
119.08558	54.8
121.06493	13.6
121.10121	22.6
123.08023	13.9
125.09591	18.4
129.07019	11.1
131.04907	5.4
131.08537	25.4
133.06491	10.8
133.10088	18.3
135.08018	15.6
135.11671	10.5
143.08537	12.1
145.10109	28.9
147.08018	19.0
147.11679	4.7
149.09628	19.6
153.09029	4.4
155.08560	4.5
156.09343	3.0
157.10074	11.1
159.11667	5.9
161.09550	9.0
163.11148	14.0
165.09079	4.1
171.11700	3.2
173.09610	9.3
173.13280	3.1
181.12193	4.1
189.11169	5.4
191.10634	3.4
200.52338	3.1
209.11725	3.9
223.13277	5.7
245.18839	3.2
249.14807	2.6
255.17497	4.4
257.19012	3.1
273.18439	27.4
275.20038	15.8
291.19498	100.0
291.22818	4.3
309.20422	3.0
635.47925	11.2
636.48376	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	634.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.81279	1.7
55.01853	6.4
55.05273	1.7
55.05508	29.7
55.69434	1.6
57.03424	7.6
57.07056	2.7
63.68685	1.5
65.03922	2.4
67.05492	62.6
69.07056	39.4
71.05011	2.4
75.59282	1.6
79.05476	73.4
81.03426	2.4
81.07042	100.0
83.04960	7.6
83.08600	13.2
85.06516	7.0
91.05453	48.2
93.06429	2.1
93.07028	64.4
95.04964	13.2
95.08599	46.8
97.06517	11.2
97.10090	2.4
105.07026	33.9
107.04951	8.4
107.08575	28.7
109.06500	14.4
109.10140	15.9
117.06994	8.2
119.08546	23.2
121.06531	1.9
121.10123	27.7
123.08066	2.9
129.06970	3.1
131.08553	18.6
133.10117	17.7
135.08026	7.9
135.11652	9.2
137.09625	2.7
143.08641	2.5
145.10130	10.4
147.11685	13.7
149.09601	11.9
149.13232	2.9
157.10118	2.8
159.08978	1.7
159.11653	10.1
161.09593	2.4
163.11201	2.7
165.12675	3.4
173.13219	4.1
193.12177	2.0
199.09593	2.0
215.17900	3.2
229.15863	1.9
247.17067	2.0
257.19159	1.8
275.19955	25.3
293.20935	6.0
307.22626	64.3
321.20535	2.2
335.25610	3.8
349.23627	8.3
367.24893	14.0
369.06635	2.0
387.19156	2.1
471.87729	1.7
570.20117	1.8
575.26038	2.2
581.42157	18.4
599.43079	14.0
635.28638	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	635.2713
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
53.03931	0.4
54.81358	0.7
55.01867	1.0
55.86978	0.4
58.27709	0.4
62.08428	0.4
67.05500	2.3
69.03402	0.6
69.07066	0.6
70.06581	0.8
79.05463	2.4
80.04990	0.6
81.05773	1.3
82.06583	1.3
91.05470	4.0
93.05780	0.8
93.07012	9.9
94.06536	9.7
95.04916	1.3
95.07330	9.3
95.08568	1.3
96.08110	17.7
97.06498	1.3
98.97720	0.5
103.05440	2.5
106.06564	0.9
107.07326	2.9
108.08107	14.2
109.06451	0.5
109.08894	1.1
110.09665	36.0
110.10432	1.2
118.06493	0.7
119.04917	2.3
119.08568	0.8
120.08080	44.5
121.06518	1.1
121.08829	2.6
122.06007	7.7
122.09657	3.3
123.06773	2.2
124.07561	2.2
127.03860	0.6
131.04874	0.9
131.07283	2.9
132.08080	0.7
135.04408	0.9
136.07565	9.2
137.05977	1.1
138.09120	100.0
139.09560	0.8
140.10669	0.8
146.05981	0.6
146.09631	5.0
147.04460	1.9
149.07106	0.6
150.05478	1.0
150.09117	3.6
160.07529	0.7
161.05934	0.6
162.05550	0.8
163.08540	0.8
164.07036	11.7
166.08644	4.8
168.10254	0.7
174.07684	0.9
174.09091	9.3
177.06659	4.0
181.09676	5.6
188.07002	2.4
189.05379	0.6
189.10294	0.7
191.08124	8.5
192.10150	2.3
192.11870	0.6
202.06961	0.9
202.08749	8.5
203.08081	4.9
204.06503	2.1
205.09802	0.7
206.08165	1.2
211.08687	0.6
213.10272	0.6
215.08110	0.7
217.09706	8.1
219.11316	0.7
220.09700	4.6
229.09691	0.6
230.08170	4.4
231.11223	0.7
233.09113	0.7
235.10712	4.7
241.09700	0.7
241.13257	1.3
243.07748	0.6
243.11165	1.0
244.09657	1.2
245.09103	3.4
248.09071	4.1
257.09116	5.7
259.10727	3.2
259.14368	4.7
261.08633	29.1
263.10168	4.5
271.06900	0.7
272.09116	1.3
275.20004	0.7
285.08688	7.0
285.12073	1.0
287.10144	7.7
289.11765	1.0
305.11151	4.4
307.12790	7.0
313.08362	4.7
313.11575	1.0
331.09262	4.4
331.12872	1.0
333.10751	2.8
352.16641	0.6
378.18173	0.9
380.19629	1.1
381.55188	0.6
382.21478	1.1
388.25610	0.6
397.80188	0.6
398.17004	5.6
406.17426	3.7
408.19293	1.2
424.18423	1.0
426.20129	2.8
434.17139	4.4
442.19528	0.6
444.21127	3.1
452.18234	4.7
454.19672	5.3
468.17801	4.4
468.23434	0.6
470.19083	12.0
472.20422	4.6
480.17453	6.2
498.18494	2.3
543.25751	0.9
571.25165	2.1
589.26465	10.7
605.25775	0.9
607.27484	9.1
617.25928	13.7
635.26959	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	634.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.0
53.03932	4.3
55.01873	7.2
55.05506	26.7
57.03436	13.4
57.07051	1.1
57.64972	0.8
61.78713	0.8
65.03921	2.2
65.35986	0.9
66.67243	1.0
67.05498	64.4
68.05814	0.9
69.03409	2.2
69.06714	1.6
69.07058	27.9
69.38362	1.0
71.04951	4.5
71.09722	1.0
79.05479	55.8
81.03395	2.1
81.07043	100.0
83.04964	4.9
83.08622	13.1
91.05466	33.0
93.07027	52.5
95.04961	12.4
95.08590	53.7
97.02889	2.3
97.06493	5.7
99.08015	1.1
105.07017	25.9
107.04955	9.2
107.08580	22.3
109.06506	23.8
109.10147	15.1
111.08104	2.1
111.48917	1.0
117.06993	9.6
119.08555	22.0
121.06477	6.3
121.10136	21.4
123.08027	5.7
123.11700	2.1
129.07021	3.8
131.08572	14.5
133.06494	1.5
133.10103	10.4
135.08017	9.3
135.11702	9.7
137.09621	12.8
139.11145	2.2
141.06889	1.4
145.06418	1.1
145.10138	10.0
147.08092	1.8
147.11732	3.4
149.09618	11.9
149.13243	2.1
151.07516	1.5
151.11235	1.2
156.84325	1.0
159.11688	4.5
161.09531	1.3
161.13245	1.0
163.11227	6.8
165.09053	1.4
169.10081	1.9
173.13242	3.9
179.10625	1.1
185.13168	1.2
187.14868	2.0
201.16400	1.7
219.17482	2.2
229.15837	4.1
243.21211	1.2
247.16855	13.0
254.44057	1.0
261.22049	6.6
265.17990	7.8
275.19998	1.1
321.20517	15.5
335.25769	54.9
335.29816	2.0
339.21613	27.2
445.32806	1.8
467.00223	1.2
503.07507	1.2
581.41876	21.5
599.42938	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
54.37138	3.2
55.01851	7.3
55.05503	66.3
57.03425	9.3
66.08286	3.7
67.05496	100.0
69.07054	31.0
71.04997	5.2
79.05477	83.4
81.03410	4.2
81.07041	77.9
83.04974	8.8
83.08604	36.3
91.05464	51.0
93.07017	83.2
94.06548	3.5
95.04953	68.9
95.08591	48.2
97.06499	6.9
99.04437	5.6
105.07024	46.7
107.04942	5.7
107.08576	32.8
109.06493	8.2
109.10132	25.5
111.04436	6.7
111.08053	4.0
117.06988	15.1
119.08571	24.7
121.06463	7.0
121.10104	28.9
125.09657	3.8
131.08565	18.6
133.10104	19.8
135.08044	6.1
135.11687	18.6
145.10115	23.9
147.11624	7.1
149.09598	26.9
157.10217	4.3
158.32364	3.8
159.11639	6.9
163.11163	24.0
175.11078	5.1
189.11159	5.5
223.13361	19.1
240.55286	3.7
254.21614	4.5
257.18918	4.0
275.20050	21.6
293.21033	24.2
299.18661	4.9
307.22601	94.8
310.44846	4.3
349.24002	5.6
367.24652	18.0
438.13593	4.3
442.35080	4.4
542.85669	4.0
581.42181	7.4
599.43091	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30899	16.7
55.05484	26.2
67.05486	46.0
69.07071	23.8
79.05474	24.4
81.07056	91.2
83.08613	20.1
91.05468	24.8
93.07031	37.3
95.04942	41.4
95.08585	25.9
105.07037	52.0
107.08604	22.2
119.08561	23.6
121.10131	22.2
134.61029	22.9
135.02522	24.1
183.51245	26.2
275.20062	100.0
288.64853	20.2
293.21063	50.8
316.32309	23.2
635.55688	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.1
53.03939	4.0
55.01857	12.3
55.05506	79.3
57.03431	16.4
57.07068	3.4
67.05491	76.2
69.03436	2.4
69.07053	40.2
71.04978	7.6
75.10997	1.5
79.05477	79.3
81.03388	6.6
81.07038	88.8
83.04972	11.6
83.08604	74.5
85.06512	1.8
91.05459	74.4
93.07020	100.0
95.01336	1.8
95.04936	27.2
95.08578	52.9
97.06493	12.7
97.10134	3.5
99.04428	4.2
105.07015	38.9
106.83851	1.9
107.04942	15.5
107.08582	74.4
107.09299	3.3
109.06534	8.6
109.10148	26.3
111.04453	2.3
111.08069	9.9
117.07005	35.8
119.08546	32.3
121.06492	9.2
121.10102	33.6
123.08033	4.3
123.11710	3.4
125.09610	7.9
125.87544	2.0
129.06969	3.0
131.08545	32.3
133.06473	7.0
133.08595	2.0
133.10097	25.6
135.08017	21.2
135.11661	12.8
137.09615	11.3
139.11197	3.6
143.08565	2.8
145.06377	1.9
145.10110	19.7
147.08063	2.7
147.11682	12.0
149.09589	35.3
149.13278	2.9
151.11118	2.2
153.09068	4.1
157.10136	2.1
159.11673	13.9
160.66936	1.7
161.09630	2.3
161.13237	3.9
163.07590	1.6
163.11176	13.7
165.09064	1.8
169.08669	2.0
169.10135	7.1
173.09547	2.8
173.13249	3.4
177.09076	3.3
179.10675	2.2
185.13292	2.2
187.01271	2.0
187.11264	2.3
187.14796	2.2
193.12117	2.4
195.10255	1.9
195.84569	1.7
201.16335	18.1
211.14854	3.3
219.17377	29.4
229.15840	6.1
247.16879	26.9
261.22021	2.4
265.17941	14.8
275.19965	15.7
289.18088	2.4
293.21048	2.6
307.22720	9.8
313.96689	1.9
321.20621	12.2
335.25760	64.8
336.76450	2.1
339.21585	22.8
353.01477	1.8
363.25235	1.9
501.35764	7.5
553.43286	1.8
581.41736	8.6
599.43018	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
54.01053	0.9
55.01864	9.4
55.05277	1.6
55.05508	33.4
57.03412	1.8
57.07061	1.3
64.33908	1.0
65.03929	1.2
67.05203	1.1
67.05495	24.3
69.03416	5.2
69.07059	15.5
71.04966	2.3
71.08596	1.6
74.94185	1.1
76.99400	1.2
79.05064	1.6
79.05477	31.5
81.03400	5.7
81.07039	50.6
83.04977	9.3
83.08601	12.0
85.06506	1.8
89.06023	1.5
91.05465	24.7
93.07025	29.6
95.04937	19.6
95.08586	14.3
97.06494	5.9
97.10164	17.3
105.07017	20.8
107.04948	14.4
107.08572	18.2
109.06522	8.1
109.10129	7.3
111.04383	6.0
111.08054	2.8
117.07006	12.6
119.04900	1.2
119.08569	26.0
120.19978	1.2
121.06488	12.1
121.10114	12.4
123.08031	7.1
125.09631	12.6
127.89671	1.3
129.06969	7.7
131.08537	11.4
133.06476	6.3
133.10109	8.9
135.08012	8.0
135.11687	2.4
137.09567	2.4
143.08534	7.1
145.06413	1.8
145.10098	13.7
147.08047	15.6
147.11659	4.7
149.09613	7.5
153.09044	2.0
153.12791	1.3
157.10065	5.2
159.11653	4.0
161.09589	6.4
163.11131	9.3
165.09093	4.0
171.11618	2.6
173.09595	1.2
175.11197	1.8
178.74702	1.2
181.12241	2.1
185.13271	1.2
187.11081	1.4
189.11145	5.9
191.10681	4.0
223.11255	1.1
223.13231	10.0
227.12653	1.9
230.68704	1.2
249.14807	4.9
255.17401	1.9
273.18497	22.7
273.97989	1.3
274.50751	1.2
291.19485	100.0
309.20572	2.4
470.88812	1.2
548.96478	1.2
581.38232	5.6
599.38977	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75105	1.2
53.03931	3.2
55.01863	18.2
55.05508	41.9
57.03419	6.4
57.07057	1.4
59.24474	1.2
61.47914	1.2
67.05492	50.1
69.03409	6.6
69.07066	16.9
71.04973	5.9
71.08613	1.5
79.05475	65.3
81.03402	10.0
81.07042	82.3
83.04975	13.6
83.08607	17.3
84.44122	1.3
85.06515	3.2
91.05463	51.7
93.07026	47.7
93.85387	1.3
95.04949	32.1
95.08591	27.7
97.02866	1.7
97.06490	7.3
97.10152	20.2
103.05452	2.2
105.07009	44.1
105.07671	2.5
107.04952	19.9
107.08576	34.8
109.06519	16.8
109.10143	19.9
110.56279	1.3
111.04419	6.8
111.08050	5.4
115.05425	2.4
117.07000	29.0
119.08558	40.3
121.06493	19.0
121.10107	20.4
123.04397	1.6
123.08052	10.9
123.11681	2.6
125.09624	11.2
128.06177	2.7
129.06967	13.9
131.08560	21.6
133.06453	10.7
133.10118	30.9
135.08015	16.4
135.11688	9.3
137.09610	2.9
143.08488	9.7
144.09340	1.5
145.06427	2.0
145.10109	24.6
147.08051	21.1
147.11638	6.9
149.09589	15.0
151.11162	2.8
153.12714	2.4
155.08521	2.7
157.10124	11.0
158.94530	1.4
159.08069	3.1
159.11690	9.1
161.09624	11.6
161.13380	1.6
163.11157	17.5
165.09137	3.1
169.10056	2.7
171.10252	1.7
171.11659	6.6
173.09634	6.6
175.11168	5.6
181.12219	2.2
183.11641	1.9
185.13307	2.3
187.11259	1.7
189.11188	6.4
189.12735	2.0
191.10623	2.4
193.12286	3.4
199.11278	1.9
209.11720	1.5
223.13248	6.1
227.17924	1.7
245.18956	6.8
249.14796	2.5
255.17393	6.7
273.18439	42.5
275.20062	6.7
289.17920	8.3
291.19489	100.0
293.21170	2.4
294.57306	1.5
309.20584	3.0
513.85681	1.5
581.38776	2.1
599.39294	3.2
658.65576	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51577	0.9
53.03927	1.1
53.34509	0.9
55.05514	8.8
56.96561	1.3
62.34805	1.0
62.89043	0.9
67.05492	17.6
67.67106	1.0
69.07050	11.1
79.05470	10.6
81.07038	16.8
82.79742	1.1
83.08611	5.4
85.62425	1.2
88.19118	1.2
91.05453	9.2
93.07031	10.9
93.56585	1.2
95.04961	2.9
95.08588	13.6
97.10137	4.6
103.05453	23.5
105.07018	7.8
107.08590	5.1
109.06492	2.1
109.10148	5.7
111.08075	1.4
112.61053	1.1
115.05430	2.8
117.06983	5.3
119.08578	6.2
121.06499	2.4
121.10091	6.7
122.03651	2.3
123.11719	2.1
128.06190	11.0
131.04907	54.5
131.08563	1.6
133.06529	1.6
133.10133	2.6
135.11679	2.4
135.93491	1.2
137.05011	1.9
137.05957	45.9
143.08565	22.2
145.06479	1.5
145.10115	5.1
147.08011	2.1
149.09607	1.5
151.07513	7.8
154.94157	8.2
157.06522	1.2
157.10072	1.2
160.05286	1.8
162.06680	2.5
163.07518	100.0
164.07875	1.8
164.45535	1.2
171.08040	18.3
172.95210	23.1
173.09550	1.8
175.07515	27.2
177.09087	98.4
188.08354	1.5
190.96275	15.0
191.10690	1.2
203.10611	16.0
205.12163	2.7
221.11687	15.4
223.13174	1.2
224.74663	1.2
225.65913	1.3
228.97797	5.4
239.10327	1.3
251.19978	2.3
260.83597	1.4
297.80978	1.3
298.98532	2.0
300.89520	1.2
316.99475	4.7
317.17838	6.2
327.15970	1.9
329.04095	1.3
333.20377	2.3
335.18930	2.4
399.27527	1.3
423.29254	1.5
451.03290	1.3
453.16809	5.4
455.31094	1.5
471.18164	13.5
473.32642	6.3
604.67169	1.4
633.24219	5.0
633.35901	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	634.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01866	7.2
55.05505	13.7
56.05028	1.2
57.03424	1.0
57.07077	0.8
58.99344	0.7
58.99581	12.2
65.03918	0.8
67.05499	12.7
69.03400	0.7
69.07049	4.3
70.02956	0.6
71.04975	1.7
71.08611	10.3
74.00640	5.0
76.02211	44.7
76.03978	3.1
77.16522	0.6
79.05478	11.9
80.04999	3.8
81.03400	3.4
81.07036	11.0
82.06568	1.1
83.04965	4.3
83.06087	6.3
83.08614	9.3
84.04491	21.3
85.01136	0.8
85.04021	0.8
86.00638	3.2
86.99039	4.8
88.02213	0.8
91.05456	7.5
93.07029	10.7
94.06556	2.5
95.04941	5.5
95.08578	7.7
97.01095	5.0
97.06522	1.4
97.10170	8.0
99.05561	1.6
99.08072	5.9
100.02161	1.2
102.03754	0.8
102.05532	0.8
105.07007	5.5
106.06561	0.8
107.04939	3.9
107.06034	1.2
107.08598	8.4
109.02866	1.0
109.06541	1.5
109.07646	1.0
109.10132	4.3
111.02660	5.1
111.04440	3.1
111.08048	3.2
112.02198	5.6
112.03937	0.7
113.00578	5.3
114.03738	3.6
115.02164	1.5
116.01664	23.4
117.06966	2.9
119.04964	0.8
119.08570	6.4
120.08089	1.6
121.06487	1.5
121.10121	4.0
123.02602	1.2
123.08031	3.4
124.02148	3.4
125.04179	1.3
125.09597	6.1
126.03733	8.4
127.02081	1.3
129.06522	5.4
130.04979	9.9
131.04573	3.0
131.08524	1.7
133.06436	1.2
133.10104	6.0
135.02660	1.6
135.08032	1.0
135.11679	4.2
136.05858	0.7
137.04179	2.9
137.05943	3.3
138.03709	3.5
139.02122	3.6
139.03192	0.9
140.01660	1.6
140.05350	1.0
141.04813	1.2
142.03203	6.5
143.02768	1.0
143.08578	1.3
144.01158	8.7
145.06158	1.6
145.10129	5.0
147.04491	0.8
147.08034	0.9
147.11696	1.3
148.11243	0.7
149.04189	0.8
149.09586	1.2
149.11920	0.9
151.11139	1.3
152.01593	1.1
152.05234	1.4
153.06471	1.6
153.12727	7.5
154.06819	0.8
155.08319	1.3
157.10098	1.2
157.26151	0.7
160.11148	0.9
161.05997	0.8
161.09587	3.1
162.02177	22.0
162.03525	0.9
163.11166	6.3
163.13492	0.9
167.08862	0.7
167.10641	1.4
169.10231	0.7
170.02675	3.7
170.11664	0.9
171.08290	2.9
173.09627	0.8
175.11142	1.6
177.03323	4.7
178.12206	0.9
179.04852	12.8
181.06009	0.8
181.08403	0.7
181.12234	1.0
185.03770	6.9
187.05376	5.6
189.03435	0.7
189.11255	3.5
191.10696	0.7
193.06802	1.1
193.10667	0.7
193.12212	6.6
194.09973	13.1
195.08371	3.8
196.11510	9.7
200.45604	0.8
207.08347	0.9
215.04846	1.3
221.09731	0.8
222.09476	4.7
222.14795	1.4
223.07877	0.9
224.10992	3.2
225.09447	1.1
227.04874	0.8
227.12811	3.2
231.04352	9.2
233.05876	9.7
236.10994	4.7
238.12625	0.8
240.10509	6.3
241.11366	1.2
242.12064	3.0
245.05786	1.0
251.10973	0.8
254.11987	7.6
256.13516	1.0
263.19919	0.8
266.12061	6.4
268.13589	1.0
273.18430	0.9
277.16299	0.8
282.11725	0.7
291.19397	9.1
299.14108	1.5
305.15601	1.5
308.09027	6.8
309.20685	3.4
311.14087	9.3
313.11884	0.9
323.16821	9.8
330.18768	1.4
338.21661	0.9
339.13516	1.3
345.14987	0.8
348.19885	16.6
349.18173	6.7
357.14688	12.4
366.20975	21.4
367.19296	8.9
369.14752	1.2
384.21893	5.6
394.20441	3.0
402.23215	1.4
406.17480	2.9
407.17795	3.4
449.20212	0.8
451.22354	3.1
466.19382	2.6
467.19812	3.4
469.23621	22.0
487.24658	100.0
559.26410	7.1
561.56372	0.9
598.27655	4.8
616.29016	1.5
633.29706	1.2
634.29962	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	633.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.5
58.97109	0.2
59.02675	0.2
67.05461	0.4
69.07047	0.3
87.04444	0.3
94.06520	1.6
95.04942	0.3
105.07044	0.3
106.70984	0.2
108.04463	4.0
120.08075	0.4
122.05998	3.0
124.07560	0.6
133.80809	0.3
138.05453	1.2
138.09114	4.3
140.07050	2.2
146.06032	2.0
147.33279	0.2
148.07530	1.7
150.05524	0.5
155.63014	0.2
166.04942	1.3
168.06537	5.7
172.03882	0.3
174.05437	1.9
174.09148	0.3
196.07430	0.3
196.11250	0.4
198.07700	0.5
199.08649	3.3
199.12364	0.3
204.06506	0.6
206.08121	1.5
211.08627	10.5
211.12257	1.6
212.09293	2.8
213.10202	3.2
213.13696	0.3
214.10931	1.1
221.10707	2.1
222.09105	1.8
223.08615	1.7
223.12184	0.6
224.11021	2.7
225.06653	0.5
225.10165	9.1
226.07289	0.6
226.10910	2.3
227.08092	4.0
227.11635	1.9
237.10164	1.4
238.10876	0.4
239.08215	2.6
239.11745	14.4
240.08768	3.2
240.12488	1.3
241.09645	5.2
241.13275	2.4
242.10460	2.9
243.07440	0.3
249.10124	1.5
250.08685	1.9
251.08031	2.1
251.11772	0.6
252.08984	2.3
253.05969	0.4
253.06691	0.4
253.09663	11.4
254.10403	1.7
255.11194	4.0
257.09253	0.4
257.12784	1.2
258.09836	0.3
266.10165	0.3
267.07709	2.6
267.11221	23.8
268.08426	1.2
268.11938	1.3
269.09158	1.3
269.12784	3.2
273.12302	0.4
273.15903	1.7
277.09668	0.5
278.08063	0.6
279.11221	1.1
280.08200	1.0
281.09128	3.5
282.09778	0.4
283.10721	1.3
284.11469	0.6
285.08847	0.5
285.12286	2.0
295.10721	12.2
296.11591	0.3
297.12256	7.6
298.10269	0.4
299.10172	0.5
301.11771	0.3
306.07553	0.3
313.11768	56.5
314.12292	1.4
315.13354	2.4
323.10245	7.3
340.10107	0.4
341.11258	58.1
342.11932	4.5
343.12775	1.5
355.12720	2.9
359.12317	10.7
372.12793	0.4
373.13870	100.0
374.14429	1.8
396.22620	1.6
440.21701	0.5
466.19608	0.4
470.22510	0.5
557.27423	0.4
583.25317	3.3
601.26453	9.8
633.29071	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
57.03443	0.8
57.07075	0.7
67.05488	3.2
69.07056	2.7
74.57603	0.6
78.58118	0.6
79.05486	3.1
79.25674	0.6
81.03424	2.5
81.07048	4.5
83.08610	1.1
85.02872	0.6
91.05479	3.0
93.07032	2.6
95.04951	1.3
95.08623	2.8
97.10148	0.8
105.07014	3.1
106.28857	0.6
107.08588	1.1
109.10152	0.8
117.07037	0.7
119.08564	1.2
121.10179	1.3
125.09644	0.8
129.06937	0.8
137.06006	2.7
137.72148	0.7
143.08615	0.7
145.10121	0.9
157.10120	1.4
163.07474	0.8
184.86108	0.7
196.45816	0.6
251.12637	1.3
349.19748	8.0
405.22433	4.7
619.39136	0.8
633.36005	100.0
634.36395	1.4
655.97498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.1
55.05504	65.9
57.03423	9.5
57.07060	19.6
67.05199	4.0
67.05500	62.3
69.07056	76.8
71.08610	6.7
72.32982	4.0
79.05478	49.5
81.07045	99.1
83.04960	18.0
83.08611	58.2
85.06529	8.2
91.05459	19.9
91.50209	3.2
93.07027	56.6
95.08576	98.3
97.06506	23.4
97.10148	32.0
105.07002	17.2
107.08569	39.2
109.10155	49.5
111.08034	15.1
111.11706	5.4
111.68702	4.3
119.08562	17.0
121.10127	59.8
122.83732	3.6
123.11692	16.6
125.09641	5.4
131.08556	14.8
133.10101	20.9
135.11662	22.3
139.11147	9.4
145.10066	5.1
149.13254	9.5
159.11681	5.6
163.14771	4.3
177.09097	9.5
178.64088	3.9
215.17924	8.2
233.19016	15.4
235.95335	4.7
251.20020	51.1
269.21155	27.1
311.25787	25.8
325.23682	34.4
329.26791	47.1
343.24634	42.8
368.09979	4.2
396.52463	4.2
505.42026	5.3
579.45673	20.3
597.47235	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	633.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53373	0.4
51.75803	0.5
55.01862	0.8
55.05489	0.7
63.76611	0.5
67.05470	1.3
69.03396	0.5
69.07050	1.0
70.22395	0.6
76.02213	0.7
76.04037	0.5
79.05425	0.7
81.03387	0.6
81.07054	1.0
83.04929	0.5
84.04490	0.7
85.02874	0.6
91.05427	0.8
94.06523	1.0
105.07026	0.9
107.04951	0.8
108.04469	4.5
116.01743	0.7
122.06017	2.4
124.07588	0.6
137.05923	2.4
138.05435	0.8
138.09119	4.2
140.07031	1.3
145.10106	0.7
146.05972	2.9
147.04404	1.0
148.07564	1.4
166.04977	0.7
168.06552	4.8
174.05482	0.9
177.05370	0.7
197.08669	0.6
197.10645	1.0
198.07826	0.7
199.08591	6.8
206.08147	1.0
211.08652	8.8
211.12151	0.8
212.09381	2.5
213.10167	6.7
214.10948	2.9
221.10779	1.0
222.09229	1.1
223.12230	1.0
224.10689	2.9
225.10190	10.7
226.07294	3.7
226.10832	1.1
227.08147	8.9
227.11824	2.3
239.08072	1.2
239.11717	12.9
240.08815	2.4
240.12460	0.6
241.09679	7.7
241.13303	3.2
242.10385	5.0
249.10066	1.1
250.08577	2.2
251.08060	2.6
252.09184	0.8
252.10080	0.9
253.09668	9.7
254.10445	1.3
255.11263	5.3
257.12628	0.9
259.14328	2.7
267.07999	1.0
267.11221	18.4
268.11908	1.3
269.12747	3.7
279.50156	0.6
281.09174	0.9
283.10626	2.7
285.12125	3.3
295.10693	11.3
297.12241	5.3
298.12949	0.9
299.13779	7.6
313.11758	60.5
314.12469	3.2
315.13248	3.0
323.10223	4.9
327.13318	0.7
341.11234	43.3
342.12064	11.9
343.12863	4.1
355.12613	2.2
359.12326	8.3
373.13867	100.0
374.14407	2.6
392.19263	1.0
420.19028	6.3
422.20566	2.0
466.19577	4.6
485.23141	0.7
496.20309	1.3
583.24969	3.3
601.26404	18.8
603.28143	1.0
633.28821	6.4
657.68243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.74687	0.3
56.36796	0.3
59.50366	0.3
63.51627	0.3
67.05499	0.6
69.03423	0.4
69.07045	0.9
77.35398	0.3
79.05466	0.5
81.07031	0.8
84.35959	0.3
85.02894	0.4
94.06544	1.5
95.04922	0.4
101.21284	0.3
105.06998	0.4
108.04469	3.0
122.05998	2.1
124.07583	0.5
137.05963	0.6
138.05446	1.4
138.09123	3.1
140.07062	2.2
146.06012	3.2
147.04459	0.5
147.06802	0.4
148.03883	0.5
148.07529	1.9
150.05536	0.5
153.01805	0.4
166.04999	0.8
168.06551	5.2
174.05489	1.7
191.03394	0.4
191.05869	0.3
194.09653	0.4
194.35805	0.5
197.10707	0.5
198.52412	0.3
199.08649	3.7
199.12305	0.4
204.06467	0.7
206.08113	1.5
211.08604	8.7
211.12289	1.9
212.09470	2.3
213.10155	3.1
214.10965	0.7
221.10677	0.8
222.09256	2.5
222.11168	0.4
223.08662	1.4
223.12273	0.7
224.07237	0.4
224.10895	3.8
225.06703	0.6
225.10162	9.6
226.10988	1.7
227.08141	3.5
227.11717	0.4
237.10046	0.6
239.07999	1.4
239.11726	16.0
240.08871	1.6
240.12465	0.6
241.09636	4.8
241.13319	2.4
242.10345	2.5
249.10190	2.1
250.08713	2.6
250.10873	0.6
251.08141	1.7
251.11819	1.5
252.09030	3.0
253.09642	10.7
254.10403	1.4
255.11263	2.9
257.12875	0.8
267.07758	2.0
267.11185	21.5
268.08334	0.6
268.11938	1.4
269.09561	2.9
269.12711	3.6
271.10611	0.5
278.08011	0.6
280.08636	0.4
281.09027	2.5
284.11301	0.6
285.08780	0.7
285.12311	2.4
295.10709	11.5
297.08939	0.7
297.12201	5.1
299.10260	0.5
303.29648	0.4
313.11749	51.5
314.12350	1.8
315.13254	1.8
323.10080	4.2
324.10919	0.8
329.11496	0.6
331.13107	0.6
341.11255	35.6
342.11801	3.6
355.12869	2.4
359.12311	8.7
373.13855	100.0
374.14316	0.6
376.12732	3.2
377.13705	1.6
378.18118	1.9
391.15292	2.2
402.14273	0.6
406.17505	12.4
458.11942	0.4
466.19662	17.4
496.20673	3.8
559.56903	0.4
583.25323	2.6
601.26221	4.7
603.27948	1.8
633.29102	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	632.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89788	1.1
53.03928	1.6
55.01859	6.3
55.05502	44.6
56.22939	1.2
57.03424	8.4
57.07069	11.6
59.14786	1.2
61.40618	1.3
63.98822	1.2
66.97228	1.2
67.05141	3.0
67.05493	69.8
67.05849	2.6
69.03432	1.6
69.07054	63.1
70.17268	1.2
71.04971	7.6
71.08604	3.1
73.06522	1.6
74.91297	1.1
79.05472	31.7
81.07038	100.0
83.04955	10.3
83.08603	39.6
85.06546	2.9
85.10166	1.4
85.63134	1.3
91.05464	17.5
93.07021	58.5
95.04961	3.0
95.08582	94.6
97.06519	17.3
97.10151	20.1
105.07030	13.8
107.08578	34.5
109.10136	52.3
111.08049	11.7
111.11725	2.8
119.08544	13.2
121.10123	43.2
123.08054	1.9
123.11691	13.0
125.09599	2.7
131.08554	9.7
133.10112	18.0
135.11676	17.3
137.09616	2.0
137.13266	7.6
137.44530	1.4
139.11143	10.8
145.09126	1.4
145.10115	12.5
145.11174	2.0
147.11662	2.9
149.09590	2.6
149.13264	7.5
151.11165	2.4
159.11665	9.9
161.13206	2.2
163.14720	1.6
167.14330	2.3
173.13182	2.4
175.14824	3.1
195.13850	1.5
215.17935	8.7
219.21008	2.4
233.19005	20.1
237.22211	5.2
251.20016	56.7
255.23149	1.8
269.21100	27.5
311.25784	1.8
325.23587	7.5
329.26932	10.6
343.24744	5.1
469.40433	3.2
487.41708	15.0
505.42422	23.8
523.43451	25.0
579.46014	12.7
597.37860	2.9
597.47137	83.3
598.46997	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	632.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.2
53.03939	1.8
55.01859	5.0
55.05505	53.7
57.03431	8.7
57.07071	16.0
66.69347	0.9
67.05492	63.9
69.03381	1.2
69.07053	63.5
71.04971	6.3
71.08601	4.9
73.06548	1.6
79.05474	36.4
81.03403	1.0
81.07040	94.0
83.04961	10.4
83.08604	51.5
85.06525	5.0
85.10166	1.9
91.05460	15.5
93.07027	58.6
95.04936	5.0
95.08584	100.0
97.06511	14.5
97.10139	20.5
99.08095	2.2
105.07021	13.2
107.08570	34.8
109.06462	1.4
109.10145	45.9
111.08076	10.5
111.11696	5.8
117.07004	2.2
119.08576	10.0
121.10126	42.4
123.08044	1.8
123.11701	12.4
125.09586	4.7
131.08543	9.6
133.06529	1.2
133.10103	14.3
133.23599	1.3
135.04395	88.5
135.11662	22.1
137.09625	4.4
137.13251	8.2
139.11189	11.3
145.10086	9.8
147.11641	5.5
149.13254	11.8
151.11205	2.5
157.10040	1.2
159.11626	8.9
161.13287	1.4
163.14790	2.7
165.09146	1.1
167.14317	1.5
173.13225	1.9
179.06987	2.0
187.13289	1.8
195.13905	1.7
203.12848	1.4
215.17918	7.4
219.20923	1.4
232.03362	1.2
233.18954	13.8
237.22107	5.7
250.43547	1.1
251.20003	46.1
269.21024	28.4
311.25763	6.3
325.23666	7.4
329.26736	7.6
343.24808	15.5
469.40149	1.9
487.41391	10.1
505.42392	19.6
523.43323	17.0
579.46039	16.3
597.47119	75.4
598.47253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35688	1.1
55.01862	1.8
55.05259	2.2
55.05504	31.0
57.03429	2.3
57.07071	19.3
59.05005	1.8
60.17720	1.1
67.05489	20.3
69.03411	1.8
69.07052	42.2
71.04965	1.9
71.08610	9.7
73.06566	1.4
76.68775	1.4
79.05478	15.5
81.07040	34.6
83.04953	4.7
83.08597	28.8
85.06536	3.3
85.10151	4.8
85.21754	1.4
91.05455	24.8
92.08699	2.3
93.07024	19.9
95.04942	8.7
95.08579	33.3
97.06531	11.5
97.10149	19.1
103.05439	6.4
105.07003	7.0
107.04952	9.7
107.08580	19.2
109.06475	6.0
109.10130	12.9
111.08055	8.1
111.11656	2.6
119.04897	14.5
119.08562	2.7
121.06439	2.4
121.10098	15.3
122.03644	8.1
123.08055	2.5
123.11691	5.5
125.05911	1.7
125.09599	5.3
128.06195	5.3
129.06973	22.7
131.04895	9.5
131.08551	5.2
133.06519	4.4
133.10100	5.8
135.08035	6.0
135.11659	13.6
137.05957	100.0
139.11172	2.8
145.06442	2.4
145.10072	2.1
146.07210	2.1
149.05975	7.7
149.13246	8.6
151.03981	1.7
151.07518	88.1
151.10995	1.4
153.12709	2.2
157.06470	21.0
159.07990	3.0
161.05928	14.3
161.09579	9.9
161.13222	1.8
163.07506	23.3
163.11230	2.1
163.14752	2.0
165.05734	1.4
165.06955	10.2
165.09070	5.4
167.08557	5.3
174.06734	13.3
175.07535	9.0
176.08307	2.0
177.09082	5.4
178.07771	2.9
179.08546	2.5
189.09064	35.6
191.10609	13.4
193.06436	5.9
193.10170	12.9
193.43073	1.4
195.08038	9.6
197.05862	1.6
197.09653	1.5
203.08540	3.0
206.07205	1.7
207.08266	2.7
207.10182	3.0
210.06720	6.6
211.07581	1.7
217.19482	3.0
219.21091	5.5
220.08861	1.5
221.06024	17.5
221.09468	14.5
223.07477	6.1
224.08363	6.9
225.09062	13.2
227.10580	14.7
235.20514	5.6
237.22037	3.0
238.06258	2.4
238.09868	2.2
249.09050	8.8
252.07753	3.0
253.08469	13.6
253.12189	24.9
253.21622	2.1
255.10028	15.7
255.23088	2.6
267.10162	10.4
269.08032	3.3
270.08856	1.6
272.10327	5.8
281.11639	7.1
285.11142	24.2
287.12723	24.2
313.14270	35.8
315.15836	15.2
331.15332	69.6
343.15265	5.5
443.31348	1.8
549.35657	8.1
558.59454	1.4
567.36621	43.8
585.37878	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	632.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	7.0
55.05724	0.9
57.07056	1.9
62.18688	0.9
67.05495	5.9
69.07054	9.6
71.08613	1.1
79.05455	4.4
81.07015	7.5
83.08594	4.7
87.88389	0.9
89.54826	1.0
90.37350	1.0
91.05462	5.3
92.08591	1.1
93.07025	7.5
95.04963	1.3
95.08577	6.5
97.06519	2.3
97.10144	1.6
103.05447	49.1
105.07011	5.8
107.08564	4.3
109.10142	1.3
111.08063	1.1
119.08575	4.0
121.10126	4.5
131.04907	100.0
131.08487	1.3
133.10107	1.9
135.04419	12.3
135.11649	1.4
137.05885	1.8
145.10077	1.1
157.10101	1.1
159.11676	1.5
161.05952	44.6
161.32034	1.1
162.77791	1.0
163.11098	1.2
196.74107	1.1
221.07874	1.0
433.29379	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	632.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.2
54.85942	2.6
55.01851	8.7
55.05503	33.0
57.03403	2.9
61.80267	1.8
61.82764	1.8
67.05490	46.5
69.07056	31.1
71.04989	3.3
73.36324	1.8
79.05472	28.7
79.65740	2.1
81.03442	2.5
81.07041	63.9
83.04948	10.4
83.08609	22.6
85.06528	3.2
91.05469	18.4
93.07022	43.0
93.22434	2.4
95.04908	4.0
95.08594	67.6
97.06518	4.5
97.10156	4.7
103.05436	10.1
105.06996	15.2
107.08559	20.2
109.06486	2.5
109.10140	29.8
111.08043	3.8
117.06966	4.3
119.08570	16.3
121.10128	28.7
123.04388	8.9
123.08031	3.6
123.11681	5.4
128.06201	2.4
131.04909	40.0
131.08511	9.9
133.06439	2.3
133.10080	13.1
135.04405	59.2
135.08029	3.1
135.11635	11.9
137.05983	15.8
137.09579	2.3
137.13254	3.0
139.11139	3.1
143.08516	13.4
145.06461	3.1
145.10100	4.5
147.04355	2.8
149.05957	19.6
149.13213	3.4
159.11725	2.9
161.05951	93.4
161.09612	9.0
162.01266	2.1
163.07512	100.0
171.08009	4.6
175.07565	2.4
189.09056	25.9
203.12335	2.5
207.10144	9.5
214.69722	2.5
215.04817	2.2
215.17871	5.0
233.18961	9.9
251.19995	53.4
269.21014	43.0
283.09689	5.0
285.11270	8.4
293.11292	2.6
311.12683	17.9
328.25574	2.7
329.13757	3.2
457.29089	4.1
475.30548	4.0
544.23633	2.8
579.33124	8.6
608.10229	2.7
632.34296	3.6
633.35382	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	632.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61876	0.1
50.86850	0.1
51.02359	0.2
53.03925	0.2
55.01849	0.1
55.05495	0.9
55.95967	0.1
57.03426	0.2
57.07061	0.7
63.02799	0.1
67.05489	1.2
69.07050	1.1
71.08604	0.2
75.02753	0.1
77.03892	0.2
79.05473	2.4
81.07037	1.6
83.04951	0.1
83.08607	1.0
83.09019	0.1
85.10152	0.1
85.12898	0.1
85.64672	0.1
91.05477	0.8
91.05946	0.1
93.07019	1.0
95.04951	0.7
95.08577	1.3
97.06496	0.5
97.10150	0.8
103.05431	0.2
105.03361	0.4
105.04500	0.1
105.07005	0.8
107.08569	0.7
109.10139	0.9
109.93295	0.1
111.08080	0.1
112.06990	0.1
119.04926	0.5
119.58537	0.1
121.10146	0.7
123.11681	0.2
125.09614	0.2
131.04921	0.7
133.06461	1.1
133.10086	0.1
135.04390	100.0
135.11656	0.2
136.04742	0.4
137.05965	1.3
139.11067	0.2
145.10092	0.1
149.05908	0.7
149.13274	0.5
161.05894	1.3
165.09109	0.6
173.11742	0.1
179.06993	2.2
183.10213	0.2
219.21051	0.6
233.19153	0.1
237.21901	0.8
251.20012	0.4
255.23122	2.0
269.21057	0.2
343.24649	0.2
377.53043	0.1
388.75693	0.1
392.94928	0.1
437.32431	0.4
517.61090	0.1
597.46753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01857	1.0
55.42132	0.5
57.03427	4.0
61.02898	0.6
67.05503	0.6
69.03415	4.4
69.07061	0.7
70.06585	2.5
72.08133	1.3
75.04469	0.9
79.05476	3.9
81.03400	1.5
85.02885	8.2
91.05464	11.8
93.07016	2.6
95.04951	1.5
95.08547	0.7
97.02859	1.4
99.04450	0.9
100.29887	0.6
103.05448	11.6
105.07007	8.5
107.04942	29.0
107.08604	0.8
109.02883	1.0
109.06537	1.2
111.04462	0.9
113.06783	0.6
115.05437	3.2
117.07006	1.2
119.04936	8.8
119.08576	0.9
120.24671	0.7
121.06495	12.0
122.03658	0.9
124.05218	0.8
125.05965	3.3
127.03906	3.0
128.06212	1.0
129.06961	5.3
130.04121	1.1
131.04904	14.6
131.08539	1.4
133.02840	15.9
133.06493	4.0
135.04414	5.0
135.08043	9.8
137.05965	40.8
145.04947	0.9
145.06474	3.3
146.07285	3.4
147.04427	6.6
147.08011	0.9
148.05212	8.6
149.05962	26.6
149.09636	0.8
150.06717	10.0
151.07526	14.7
157.06482	4.0
159.08104	0.9
161.05956	100.0
161.09569	26.7
161.10861	1.2
162.06760	7.5
163.07518	40.6
165.05452	5.3
165.06737	1.0
165.09085	2.7
167.07054	1.0
167.08492	0.8
172.44986	0.6
174.06754	4.7
175.07487	8.1
177.05470	0.9
177.09056	1.2
179.07008	3.1
179.08469	0.8
181.08522	11.3
187.07568	0.7
189.09076	55.1
191.07042	3.3
195.08055	2.9
199.09650	1.0
205.08424	0.7
207.10147	69.0
209.09396	0.7
219.08179	0.7
219.10109	3.5
221.05887	0.8
221.09717	1.2
223.07510	1.2
225.09134	1.4
227.10611	5.3
229.14279	0.9
236.10318	0.7
237.11188	3.2
249.09058	1.0
251.10747	1.2
253.08537	2.6
255.10078	5.2
267.09937	1.2
281.11771	0.9
285.11145	4.1
287.12921	5.3
297.11066	1.3
299.12894	1.1
302.15063	1.1
313.14371	6.8
329.13904	0.9
330.14566	9.1
331.15411	13.3
342.14410	1.1
376.41653	0.7
387.17917	1.4
405.13718	1.7
405.19031	48.2
435.20514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
54.28255	1.2
55.63676	1.4
56.96550	1.3
57.03426	7.5
60.03213	1.3
61.02919	1.7
69.03423	10.0
70.06583	3.1
71.04977	1.8
72.08109	1.7
74.61120	2.0
79.05464	6.9
81.03390	3.9
85.02884	18.8
86.09689	1.9
91.05499	14.1
92.09341	1.6
93.06998	2.0
95.04954	2.4
97.02921	2.1
98.97578	1.5
99.55460	1.6
103.05452	14.0
105.07030	13.7
107.04940	26.4
109.02865	3.0
111.04387	1.6
115.05494	2.3
117.06985	3.3
119.04929	14.5
121.06474	13.6
122.03602	2.3
125.05927	2.2
127.03911	4.0
128.06168	2.0
129.07063	4.1
130.04118	2.5
131.04913	33.3
131.08580	2.0
133.02812	13.7
133.06425	13.8
135.04439	3.9
135.08052	10.3
137.05957	92.7
145.04968	2.6
145.06432	3.7
146.07288	2.7
147.04399	21.3
148.05159	7.1
149.05972	31.5
150.06754	6.9
151.03902	2.3
151.07516	21.0
157.06442	2.5
161.05962	100.0
161.09581	27.2
162.06731	12.3
163.07497	54.4
163.11082	2.2
165.05528	2.1
165.09076	2.4
167.06967	2.4
174.06758	2.5
175.07518	19.8
177.05432	1.9
177.09067	20.5
179.07018	13.4
181.08586	10.5
187.07465	1.8
188.03720	1.6
189.09081	57.1
191.06990	6.6
199.09578	2.1
207.10132	60.2
211.09645	3.0
219.10124	3.6
221.09700	2.4
237.11206	12.9
253.10684	2.0
255.10106	2.4
281.11710	1.9
285.11182	3.1
287.12802	2.4
311.12955	2.5
313.14380	3.5
330.14594	3.9
331.15344	8.3
342.14536	9.8
379.89737	1.6
392.88797	2.0
397.15176	2.6
405.19080	34.5
415.16037	1.8
435.20050	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16779	1.0
53.03940	1.5
55.01860	2.1
55.05506	14.5
57.03432	39.4
57.07068	1.3
61.02893	2.6
67.05493	33.3
69.07057	13.8
71.01324	5.2
71.04967	2.1
73.02901	2.1
74.30365	1.1
79.05485	43.7
81.03405	3.2
81.06600	2.0
81.07043	36.8
83.04951	7.2
83.08593	20.0
83.65282	1.2
85.02901	1.8
85.06525	2.1
91.05462	13.6
93.07026	62.5
95.04930	5.8
95.08582	16.3
97.02872	1.3
97.06512	4.9
97.10125	1.3
105.07005	7.8
107.04897	1.4
107.08600	18.2
109.10148	5.5
111.08057	3.2
117.06971	2.3
119.08540	2.0
121.10123	36.7
131.08530	9.6
133.10095	1.8
135.11678	2.9
139.11172	8.4
149.09583	3.2
149.13222	11.9
159.11699	3.2
167.10652	7.1
175.43889	1.4
177.12648	5.0
195.13756	2.8
241.14290	35.0
269.17477	20.0
393.92538	1.4
435.27332	100.0
589.75061	1.5
634.77509	1.7
649.09485	1.5
664.63397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30310	0.6
53.00285	1.0
53.03929	0.7
55.01866	5.9
55.05503	13.0
56.05026	0.9
57.03428	1.2
58.99579	13.5
65.03918	0.6
67.05201	0.7
67.05494	14.0
69.03412	0.9
69.07054	16.7
70.02922	1.5
71.04945	0.8
74.00631	4.5
74.53687	0.6
75.46569	0.7
76.02208	52.3
76.03973	3.9
79.05473	19.3
80.04989	4.4
81.03391	3.9
81.07040	26.8
82.06574	1.6
83.04978	5.7
83.06099	5.8
83.08598	8.0
84.04493	19.6
85.01112	1.1
85.02866	0.6
85.04004	1.4
85.06531	1.4
86.00622	1.6
86.99028	6.5
88.02183	1.5
91.05465	9.3
92.01681	0.7
93.07028	10.8
94.06574	1.1
94.78880	0.7
95.04959	7.1
95.08586	9.5
96.04462	1.3
97.01096	5.3
97.02853	1.4
97.06506	3.4
97.10143	9.0
98.00618	0.8
99.01412	0.8
99.05546	1.2
100.02177	1.5
101.00572	0.8
101.07128	0.7
102.05530	0.8
105.07018	11.2
107.04925	4.1
107.08582	13.1
108.04420	0.8
108.08106	0.9
109.02841	1.6
109.06496	4.9
109.07533	1.1
109.10150	5.6
111.02639	3.6
111.04403	1.6
111.08058	2.6
112.02175	8.4
112.03942	1.1
113.00570	6.8
113.02872	1.4
113.03566	0.8
114.03725	4.4
115.05392	0.8
116.01656	28.4
117.06971	6.2
119.08560	8.0
120.08037	0.8
121.06484	2.7
121.10101	4.1
123.02645	1.1
123.04401	2.7
123.08045	4.3
124.02161	9.8
125.02893	0.9
125.04210	1.0
125.09609	8.6
126.03717	9.6
127.02094	0.8
129.06546	4.9
130.04968	10.5
131.04582	1.4
131.08527	5.0
133.10081	3.4
134.09601	0.9
135.02631	2.8
135.08035	4.4
135.11655	4.2
136.02139	3.1
137.04115	0.9
137.09613	2.7
138.03674	3.8
139.05759	0.8
140.01636	1.1
140.14317	0.7
141.04701	2.4
142.03194	9.3
143.08495	3.4
144.01128	10.5
145.06187	3.5
145.10088	4.5
147.02557	0.8
147.08046	2.6
147.11618	1.0
149.02951	0.7
149.04222	1.5
149.09601	1.4
150.03679	1.1
151.05684	3.6
151.11137	1.2
152.01643	1.2
152.05342	0.9
153.06494	2.2
153.09151	1.0
153.12694	5.1
155.08247	3.3
159.08017	3.0
161.09592	4.6
161.11937	1.2
162.02171	23.8
162.03554	1.4
163.05757	1.0
163.07431	1.1
163.11150	4.1
165.09169	0.8
169.06874	1.3
169.10158	0.8
170.02699	3.1
175.11093	1.4
177.03314	3.0
177.07347	1.3
179.04871	11.7
179.10730	0.8
181.06046	1.4
181.12302	1.2
185.03773	8.6
185.09615	0.7
187.05273	6.6
188.03702	0.8
189.03117	1.2
189.11156	2.6
191.10614	1.1
192.08348	4.4
193.06766	4.3
193.12204	4.1
194.09990	7.1
196.11462	1.1
199.05351	0.7
199.07072	1.5
205.06807	1.0
207.08228	0.9
215.04868	1.2
219.08253	1.4
222.09431	1.7
223.07782	1.1
224.10962	5.1
225.09377	1.1
227.12718	1.2
230.12001	0.7
231.04271	8.4
233.05859	9.9
236.11018	3.7
238.12558	2.7
240.10443	6.5
241.11182	1.2
242.12038	4.2
245.05804	1.4
248.10881	1.0
254.12015	4.3
256.13660	0.9
261.18472	0.9
266.11993	5.4
271.16940	1.3
275.14377	0.8
278.12073	5.8
284.13004	1.4
289.17911	7.7
291.06357	0.8
297.12561	3.2
303.13922	2.6
306.21304	0.8
307.18799	3.6
308.09048	6.4
311.14200	8.5
321.15198	7.5
329.15573	0.8
343.13092	0.9
346.18246	11.6
347.16483	1.7
357.14847	9.9
364.19302	20.3
365.17621	7.9
369.14685	1.3
382.20331	9.3
387.16016	0.9
392.18536	1.5
400.21240	1.0
449.20831	3.3
467.22043	21.4
485.23083	100.0
486.23218	1.4
519.15533	0.7
521.22754	0.9
533.22650	1.4
539.24139	0.7
557.25220	9.4
596.26062	3.6
600.26929	0.8
614.27051	1.6
632.28351	13.8
633.25073	0.8
640.51263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99433	5.7
54.47451	6.2
55.05502	12.2
67.05504	31.3
69.07039	24.7
72.58711	6.9
75.04452	7.0
79.05484	16.8
81.07043	32.7
82.07397	8.4
83.08624	13.4
83.59091	6.9
83.59599	5.9
91.05468	13.9
91.89822	6.5
93.07060	9.3
95.08597	16.2
105.07015	13.9
107.04940	9.3
107.08598	12.2
109.10167	11.1
110.48774	6.2
119.08540	9.0
123.11698	7.8
131.08548	13.4
133.10118	9.3
136.58723	8.2
145.10197	11.0
211.83646	6.2
275.20065	68.6
293.21005	100.0
324.50507	7.4
368.00793	7.0
550.66455	6.7
595.46008	12.2
629.43243	14.6
630.43726	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17599	0.9
54.13818	1.0
55.01860	2.6
55.05508	16.3
57.03440	1.6
63.87569	1.1
67.05495	22.0
69.07058	16.7
71.04970	2.1
78.26071	1.1
79.05468	15.4
80.10083	1.1
81.03388	2.9
81.07035	36.1
83.04963	1.6
83.08601	10.9
85.06504	2.4
91.05455	14.4
92.09328	2.6
93.07028	23.3
94.34885	1.3
95.04977	2.4
95.08588	30.9
97.06504	4.8
97.10157	2.6
98.38157	1.1
100.56882	1.1
103.05453	25.5
105.07044	9.1
107.04927	1.4
107.08573	9.3
109.06526	2.4
109.10150	11.2
111.08078	1.8
115.05428	4.6
117.07001	4.8
119.05028	1.4
119.08553	7.5
121.06485	2.1
121.10148	12.2
122.03687	1.9
123.08073	1.9
123.11682	2.8
128.06192	9.9
129.07021	1.3
131.04903	63.8
131.05888	2.7
131.08557	6.9
133.10097	7.1
135.11711	4.6
137.05952	46.6
137.13109	1.3
139.11197	2.4
143.08553	16.9
145.06479	1.4
145.10159	5.4
147.08015	2.5
147.11674	2.9
149.09521	1.7
149.13223	1.4
151.07506	6.2
155.08551	1.4
159.08203	1.2
159.11716	2.7
160.05203	1.7
161.05893	1.2
163.07513	100.0
171.08012	13.0
175.07506	21.9
177.09073	80.5
203.10669	10.9
215.17851	4.5
221.11684	14.5
233.18970	5.7
241.24017	1.1
251.20035	25.5
267.15933	2.6
269.21063	21.5
337.29907	1.2
471.31204	2.2
489.31876	5.0
560.36664	1.9
631.34784	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	629.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33802	1.3
55.05493	2.5
57.07048	1.8
67.05481	3.9
68.28069	1.6
69.41987	1.7
81.03418	1.5
81.07033	3.9
88.54214	1.8
93.07016	3.2
95.08595	2.6
98.33441	1.5
105.06998	1.9
112.67379	2.1
115.68002	1.6
315.87717	1.9
382.24515	1.9
425.16177	3.8
426.16617	2.0
427.17526	2.2
439.17923	12.0
439.25851	1.9
440.18292	8.2
453.15247	33.4
454.15469	2.1
454.20618	2.3
455.20834	53.2
456.20798	3.3
466.16339	2.8
467.16809	36.4
468.17230	12.8
481.18527	38.0
482.18985	71.4
483.20181	2.6
513.21210	2.1
524.21246	2.3
531.40649	6.1
541.24420	3.4
553.21710	20.6
554.22064	2.2
557.03345	2.1
569.23889	92.5
570.24023	6.8
599.80627	1.9
601.27100	2.5
628.24951	18.2
629.25684	100.0
630.26422	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30323	1.4
64.56908	1.6
67.05495	2.6
79.05470	1.8
79.52306	1.5
81.07040	3.5
89.06013	3.6
95.08646	2.3
105.77441	2.0
153.65446	2.1
154.58232	1.9
335.22156	3.6
344.16302	2.0
517.48785	2.2
629.43768	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	629.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57971	0.6
55.05507	1.8
67.05489	3.5
69.07068	1.0
79.05482	1.9
81.07054	4.2
83.29108	0.8
89.06039	1.0
92.64876	0.8
93.07043	1.9
95.08596	1.6
105.07025	1.0
109.10172	1.5
131.08501	1.0
147.11710	1.0
191.14354	0.9
317.20731	1.6
335.22003	3.3
392.27020	0.8
591.00330	0.8
628.43024	1.2
629.43799	100.0
630.43707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26429	0.7
51.41343	0.6
54.53060	0.7
55.05503	1.0
60.59233	0.7
67.05486	1.0
69.07068	1.4
79.05486	1.3
79.21471	0.7
81.07041	3.7
83.08582	0.9
83.22366	0.8
89.06017	3.5
91.05526	0.8
93.07024	1.5
95.04982	1.0
95.08591	3.3
104.41705	0.8
105.07040	1.1
107.08553	1.2
139.65311	0.8
149.67020	0.8
317.20981	3.7
335.22043	6.5
458.43564	0.8
490.12067	0.9
629.43817	100.0
630.43976	1.9
633.87408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30192	1.2
55.05503	2.5
55.86529	1.1
57.07070	9.6
58.06599	1.5
64.69669	1.2
67.05508	2.3
70.06574	24.5
76.55823	1.2
79.05473	1.4
81.07023	2.4
87.52082	1.4
88.07610	24.5
91.05463	2.3
93.07077	1.2
94.82449	1.3
102.09159	26.8
103.05416	1.4
104.32002	1.4
105.04994	1.4
105.07006	1.9
107.08565	1.8
108.43208	1.2
117.30657	1.3
119.08599	2.0
135.19574	1.2
137.06105	1.5
149.02316	62.2
149.03439	3.0
152.96597	1.6
181.50414	1.6
193.04922	73.5
219.06508	1.6
228.23166	53.5
237.07486	20.2
265.37851	1.3
269.83234	1.3
297.03958	2.6
341.06458	10.2
359.07635	7.8
385.09140	24.1
429.11700	31.5
445.50616	1.3
585.36572	1.7
630.32599	100.0
631.33069	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
54.40523	0.2
55.01863	0.6
55.05503	4.4
57.03173	0.4
57.03429	8.2
57.07063	1.3
60.67347	0.2
61.02918	9.6
61.44605	0.3
65.14236	0.3
66.29581	0.3
67.05495	25.2
69.03407	1.9
69.07056	9.6
70.73959	0.2
71.01326	0.3
71.04982	2.1
73.02902	4.3
79.05473	12.4
81.03392	1.6
81.07041	36.6
83.04969	3.6
83.08604	7.0
85.02894	11.6
85.06554	2.1
91.03939	7.5
91.05461	6.9
92.09272	0.4
93.07025	29.1
94.07422	0.3
95.04935	3.1
95.08591	8.6
97.02869	5.7
97.06520	5.3
97.10129	0.4
99.04442	0.7
99.08067	1.4
105.07001	2.9
107.08581	15.1
109.02853	0.4
109.06499	1.4
109.10123	1.3
111.08057	3.9
113.09615	0.4
117.06998	4.8
119.08542	1.2
121.06495	0.6
121.10121	10.5
123.11673	0.5
127.03912	2.1
127.07585	0.4
131.08565	4.3
133.10112	3.7
135.11673	5.2
137.05928	1.4
139.11176	1.1
145.04961	2.2
147.11667	1.4
149.09509	0.4
149.13245	23.6
153.08981	0.3
159.11656	10.9
163.05998	1.9
167.14349	0.4
177.12735	4.9
178.04994	0.6
193.16806	0.3
195.13780	7.9
213.14783	0.5
269.17429	100.0
270.17728	0.7
280.51382	0.3
287.18433	1.9
412.14310	0.3
413.21756	0.5
484.19650	0.3
551.65656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42807	1.4
53.00286	1.9
53.03926	4.3
55.01861	14.2
55.05504	51.2
57.03428	21.7
59.04995	2.3
62.99001	1.5
63.33743	1.5
65.03914	1.9
67.05145	3.1
67.05491	67.8
69.03409	9.5
69.07051	23.9
70.17111	1.7
71.04967	8.2
73.02872	2.0
79.05006	1.8
79.05473	74.6
81.03397	67.9
81.07038	100.0
83.04960	37.8
83.08600	31.8
85.02887	29.0
85.06526	1.8
91.05457	62.9
93.07021	53.5
93.07582	3.5
95.04942	45.5
95.08587	30.3
97.06503	10.7
97.10154	26.1
105.07014	51.1
107.04937	23.7
107.08572	31.7
109.06507	13.9
109.10143	17.2
111.04443	16.2
111.08068	10.1
114.36961	2.5
115.05435	4.3
117.06979	15.9
119.08553	42.8
121.06457	12.3
121.10132	20.7
123.08059	27.0
123.11735	3.1
125.05980	2.2
125.09599	18.4
128.06198	3.0
129.06970	19.1
131.08528	27.3
133.06461	2.8
133.10104	19.3
135.08051	3.9
135.11647	14.2
137.09587	3.9
142.07866	1.9
143.08534	9.8
145.06473	1.8
145.10129	22.6
147.08054	13.5
147.11658	24.3
149.09601	12.4
150.03015	1.8
153.09155	3.5
153.12709	3.2
155.08553	2.3
157.10123	17.6
157.11183	1.8
159.11679	7.5
161.09586	8.2
163.11172	19.3
165.09084	3.7
165.12766	2.5
171.11597	3.2
173.09697	2.1
175.11148	17.0
181.12209	3.8
185.13239	2.0
189.11168	11.8
191.10616	2.6
193.12215	34.0
193.14938	2.1
211.13263	34.9
227.12656	16.4
245.18976	2.9
255.17401	2.4
267.15826	14.4
273.18408	28.2
283.15393	3.0
285.16855	40.4
291.19467	45.8
309.20612	1.8
311.50229	2.0
347.22073	8.1
365.23193	23.0
383.24112	9.9
447.27774	1.9
473.42468	1.9
557.34467	14.6
575.35419	25.7
593.36774	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	627.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01868	1.3
55.05511	7.3
57.03421	0.7
61.79067	0.6
67.05499	13.6
69.07052	3.3
79.05482	8.8
81.03413	1.3
81.07047	11.7
83.04947	1.3
83.08614	3.5
91.05464	6.5
92.09364	1.3
93.07024	10.7
95.04955	6.5
95.08586	7.7
97.06496	1.0
97.10152	1.1
100.61716	0.6
102.32558	0.7
105.04480	0.9
105.07007	5.4
107.08589	6.7
109.00324	0.6
109.10161	2.7
111.04401	0.6
117.06989	1.3
119.08579	3.2
121.06443	0.6
121.10127	3.8
122.59371	0.6
125.09626	1.1
131.08553	3.3
133.10135	2.7
135.05296	0.7
135.07990	0.9
135.11664	1.2
145.10117	2.8
147.11708	0.8
149.09622	2.6
149.13216	0.7
163.11121	1.2
173.13225	0.7
189.11218	0.9
223.13240	2.8
275.20065	2.9
293.21094	3.2
325.21133	1.3
326.27396	0.6
333.20377	1.3
335.22043	1.1
335.25806	2.2
349.23926	0.7
626.40930	2.8
627.42096	100.0
628.42712	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59669	0.4
59.64144	0.3
67.05505	0.5
79.05478	0.6
81.07045	0.6
93.07042	0.6
95.08648	0.5
95.49895	0.3
109.71723	0.4
119.82723	0.4
167.35881	0.4
315.19336	0.7
317.20844	1.6
317.37708	0.5
333.20459	2.3
335.21951	1.5
341.70740	0.4
405.16302	0.4
609.43842	0.5
613.13214	0.4
614.20898	0.5
627.42212	100.0
628.42480	2.2
651.12469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58618	0.3
50.77127	0.3
55.05505	0.5
67.05487	0.9
81.07035	0.9
91.05481	0.6
93.07046	0.7
94.79911	0.4
98.07506	0.3
101.84995	0.4
104.44621	0.4
135.32997	0.3
146.03595	0.4
238.96144	0.4
317.20920	1.6
333.20361	6.8
422.69818	0.4
528.31970	0.5
617.14252	0.4
627.42267	100.0
628.42572	2.0
651.86969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
67.05491	7.3
69.07068	1.6
69.23558	1.4
79.05473	9.2
81.03389	1.8
81.07032	12.7
82.01595	1.7
91.05463	3.4
92.08577	2.7
93.07040	6.0
95.08594	6.5
95.86563	1.6
100.78246	1.5
103.31042	1.5
105.07038	6.3
105.82111	1.5
107.08574	3.4
109.10159	2.1
117.07055	1.7
119.08586	1.9
121.10088	1.7
125.94738	1.5
126.09800	1.6
161.13235	1.7
164.03206	1.4
205.33119	1.8
244.22725	1.5
275.19934	2.0
355.45114	1.6
512.73560	1.7
609.40887	20.8
626.41229	2.8
627.42133	100.0
628.42542	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	628.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05456	0.2
53.03928	0.5
55.01852	1.2
55.05503	4.5
57.03146	0.3
57.03426	8.7
57.07054	1.2
61.02913	8.4
65.03919	0.3
67.05492	25.3
69.03405	1.3
69.07054	9.3
71.01343	0.2
71.04976	2.4
73.02892	3.3
76.26980	0.2
76.55846	0.2
79.05476	12.7
81.03395	1.3
81.07037	34.1
83.04966	3.2
83.08601	7.1
85.02888	9.4
85.06533	2.3
87.04443	0.2
91.03934	6.9
91.05457	6.3
93.07023	28.6
93.91442	0.2
93.95583	0.2
95.04957	2.4
95.08582	9.7
97.02869	3.7
97.06500	5.5
97.10120	0.8
99.04413	0.4
99.08070	1.2
105.07014	2.4
107.08575	15.5
109.06482	1.2
109.10099	1.5
111.08066	4.4
111.11791	0.3
113.06003	0.3
113.09613	0.9
115.03885	0.4
117.06993	4.0
117.28222	0.2
119.08523	1.0
121.06473	0.9
121.10120	10.4
123.08022	0.2
123.11687	0.5
127.03878	2.0
127.07520	0.3
128.12645	0.2
131.08539	4.7
133.10107	3.1
134.34216	0.2
135.08023	0.9
135.11656	4.5
137.05978	0.3
139.11174	1.0
141.01888	0.2
145.04950	1.7
147.11641	0.8
149.09647	0.3
149.13234	23.6
151.11148	0.4
159.11668	10.1
163.05951	2.3
167.14305	0.4
177.12694	4.7
179.14241	0.3
195.13780	5.9
213.14828	0.3
234.37491	0.2
267.09247	0.2
267.11935	0.3
269.17419	100.0
270.17728	1.3
285.10007	0.3
290.47739	0.2
413.21725	0.5
431.22641	3.5
451.49445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08561	0.8
55.01868	1.1
55.05506	1.9
56.88993	0.8
57.07068	0.9
57.38142	0.9
58.17691	0.7
67.05498	3.7
69.07050	0.9
79.05486	4.3
79.31055	0.8
81.07050	5.3
85.10179	1.7
86.92832	0.8
91.05472	3.7
92.09350	2.4
93.07049	4.3
95.08598	1.7
99.08665	0.9
101.49290	0.9
105.07018	1.4
107.04923	1.9
107.08566	1.4
111.08075	1.4
111.09926	0.9
113.09669	1.2
126.26348	0.8
153.84866	1.0
154.39342	0.8
165.12781	3.9
232.82449	1.1
277.21735	4.4
278.21948	1.5
295.22620	3.6
315.19373	1.5
317.20795	1.6
331.19022	1.0
333.20322	1.4
525.31879	1.3
527.33459	1.3
607.39618	45.8
625.40332	100.0
626.40387	2.2
648.04816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21377	0.6
52.28016	0.6
53.03926	1.4
54.67380	0.6
55.01862	1.1
55.05496	1.7
57.03425	11.5
59.05002	1.0
61.02897	3.7
69.03409	8.3
70.06578	1.1
71.01324	1.0
71.04974	67.3
73.02873	3.2
74.74899	0.9
75.04453	5.2
81.03393	4.9
83.04967	11.3
84.04483	0.9
85.02889	100.0
85.80858	0.8
86.09689	0.8
87.04460	2.9
91.03959	1.2
91.05465	4.0
93.07020	4.8
95.04900	1.3
97.02874	10.5
99.04424	4.2
101.05960	1.3
103.03925	1.5
103.05448	1.9
105.06992	1.1
109.02875	3.7
111.04433	8.8
116.43498	1.0
119.60275	0.9
121.06480	69.6
127.03890	9.0
129.05458	24.2
133.06461	5.0
135.07919	0.8
137.05972	3.6
139.07542	5.7
145.04942	3.5
145.06516	7.4
147.04442	1.4
147.06496	12.4
151.03831	1.0
151.07495	1.6
153.05438	0.9
159.08066	1.5
163.06090	1.0
163.07549	5.1
166.25824	0.8
170.68597	1.0
175.07530	1.2
187.07503	9.9
205.08586	6.9
213.09140	1.9
214.01433	0.8
227.12004	0.8
229.08609	1.0
231.10098	6.6
249.11227	7.1
255.08600	1.6
267.12186	7.1
273.09576	3.7
273.83212	0.9
298.72925	0.9
309.11722	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	626.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12312	0.5
53.03944	0.9
55.01858	1.3
55.05517	0.8
57.03433	1.1
67.05484	1.1
69.03411	3.4
70.70582	0.6
71.04935	0.5
73.02881	0.7
79.05481	1.3
81.03407	3.4
81.07041	2.3
83.68992	0.6
85.02898	12.2
91.05457	4.2
93.07063	1.1
93.94223	0.6
94.04168	1.3
95.04960	2.4
97.02847	4.1
103.05453	5.2
105.07008	4.6
105.30083	0.5
106.07337	0.6
107.04940	4.5
109.02887	0.6
109.06510	2.5
117.07012	0.9
119.04957	0.6
119.08601	1.2
121.06520	6.4
122.03626	5.6
123.08076	2.5
127.03907	0.8
128.06206	1.1
131.04893	8.2
131.08589	0.9
133.06471	16.5
135.04480	0.6
135.07991	1.3
137.05959	100.0
138.06360	0.7
143.04926	1.1
143.08548	2.5
145.06482	10.6
147.04341	0.9
151.07520	12.3
157.06473	4.1
161.05962	1.0
163.07516	16.2
165.09065	4.5
166.09438	1.3
171.08043	2.7
174.06841	1.0
175.07532	5.3
177.09018	0.9
187.07603	1.1
188.08267	2.3
189.09081	3.8
203.10646	6.9
235.11172	2.9
245.09529	2.1
263.10596	4.8
295.13235	12.3
327.15842	29.9
347.15335	0.7
446.18393	0.6
647.04163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.82354	0.5
54.85911	0.6
67.05502	1.3
79.05460	1.2
81.07029	1.3
82.63830	0.6
91.05431	1.2
95.08620	0.6
107.08575	0.6
119.08524	0.7
131.07346	1.0
132.69806	0.6
136.07588	1.1
148.07520	0.9
172.07591	0.9
173.08394	0.7
174.09154	7.2
187.08644	1.1
187.12267	7.9
188.10707	4.2
197.10796	0.9
199.08629	1.0
210.09305	1.0
211.08638	2.4
212.09444	1.5
213.10315	0.8
215.11716	5.2
224.09457	1.1
225.06711	1.0
225.10220	3.8
226.10922	0.8
227.11823	4.0
235.08560	1.0
236.09320	0.8
237.10199	1.0
239.08234	0.7
239.11865	3.2
241.13313	2.8
243.11232	27.9
249.10165	3.2
251.11775	1.1
252.08945	1.4
253.09709	2.6
263.11658	0.7
265.09790	0.9
267.11267	7.2
269.12817	1.6
271.11029	0.7
277.09644	3.7
283.14786	0.7
285.12277	1.5
291.10968	0.7
295.10794	2.6
299.14035	2.2
301.12289	0.9
301.15579	3.2
303.10895	0.6
309.12265	3.1
311.14117	0.9
312.68869	0.7
313.11935	0.8
314.12823	1.3
316.10913	1.2
317.12299	0.8
325.15524	7.3
327.13516	3.2
328.10934	2.3
328.14423	2.2
329.11572	2.1
330.12323	3.0
330.15820	0.9
331.13541	0.7
334.15613	1.2
342.12326	4.3
342.16110	1.1
343.13174	3.7
344.13913	4.3
345.14859	1.2
346.15503	1.5
348.13266	4.4
355.13284	2.4
356.13910	3.8
357.14810	3.4
358.15622	4.6
359.16776	1.0
364.67065	0.8
370.15649	3.0
372.16971	5.9
374.18842	0.9
382.15588	1.0
384.13147	1.2
386.14471	1.3
386.18826	1.2
400.16458	3.1
403.15717	1.3
404.15839	0.9
405.17358	1.0
408.15826	0.9
416.16135	1.2
417.17361	1.0
418.17365	0.9
419.18668	0.9
421.16699	1.0
422.17477	1.0
430.17532	1.0
431.18402	1.3
432.19336	5.1
437.19565	2.5
447.22092	1.4
449.16257	3.0
450.16986	0.9
451.17328	1.4
460.18988	2.3
462.24731	2.2
463.22076	4.5
465.18817	13.6
477.19238	0.9
478.19864	0.9
479.20459	6.8
480.21484	3.7
481.22491	1.6
490.23425	0.9
492.21158	1.0
493.22574	2.9
504.20782	1.6
507.24246	5.6
508.21347	0.8
517.22137	2.3
535.23279	7.2
543.03632	0.7
549.24823	11.1
553.24292	1.0
567.25940	45.8
577.24438	1.3
595.25360	33.4
606.76282	0.7
627.28015	100.0
628.28455	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	6.3
55.01865	12.4
55.05508	56.5
55.60301	5.4
57.07056	23.4
66.17529	5.6
67.05504	59.9
69.03452	5.5
69.07052	30.8
71.08601	8.4
79.05492	46.4
81.03409	10.2
81.07052	72.4
83.04955	9.3
83.08602	33.1
84.88748	6.2
85.10168	41.5
91.05472	47.3
93.07030	53.2
95.04949	32.3
95.08586	46.8
97.10137	11.4
99.08094	7.0
105.07017	38.8
107.04951	12.8
107.08588	31.7
108.15633	5.6
109.10111	22.9
111.08035	11.5
113.09655	12.2
117.07000	6.9
119.08542	15.0
121.10092	7.1
123.07985	8.5
123.11650	12.6
131.08525	11.8
133.10143	8.5
135.11707	8.0
139.11195	6.6
145.10097	9.5
147.11687	7.9
149.09711	7.8
151.11142	33.4
161.13263	9.0
163.11101	9.4
165.12714	47.9
259.20398	10.4
277.21591	100.0
293.21243	10.7
295.22629	76.9
624.28308	10.3
625.39899	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	624.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	4.1
53.03936	2.1
55.01866	7.3
55.05507	27.0
57.03423	4.9
57.07068	29.1
57.07339	2.1
62.65892	0.8
65.94910	0.8
66.09010	0.8
67.05493	39.5
67.91452	0.9
69.03422	1.9
69.07056	16.0
71.04971	4.2
71.08619	5.1
71.72784	0.8
79.05476	27.9
81.03394	13.3
81.07037	39.2
83.04970	12.2
83.08614	13.0
85.06515	1.6
85.10169	54.9
87.25477	0.9
91.05459	31.9
92.08715	1.0
93.07021	31.0
95.04951	20.3
95.08585	34.1
97.06509	5.8
97.10139	5.7
99.08080	4.7
105.07014	27.4
107.04937	18.8
107.08576	19.9
109.06497	5.2
109.10138	10.8
111.08065	7.8
113.09624	42.9
117.06978	5.5
119.08566	15.0
121.06474	2.0
121.10120	12.1
123.08058	5.8
125.09588	2.4
129.06982	8.2
131.08522	11.9
133.10098	10.6
135.07974	1.0
135.11688	5.0
137.13329	1.2
139.11133	3.8
143.08551	5.0
145.10139	7.7
147.08112	1.7
147.11667	14.1
149.09612	14.4
149.13210	5.9
151.11124	8.0
157.10138	4.1
161.13272	7.2
163.11159	10.4
163.14938	1.0
165.12714	63.9
171.11665	4.4
175.11186	6.9
175.14795	1.1
179.14313	4.1
181.12270	1.5
185.13295	2.1
195.13795	1.3
207.13799	2.2
217.19392	1.0
223.13159	1.4
226.04189	1.1
241.19437	2.0
259.20584	6.5
275.20093	1.3
276.20724	1.1
277.21573	77.5
293.20807	1.4
295.22632	100.0
296.23026	1.3
327.23016	1.3
341.24796	1.2
359.25668	1.0
382.28241	1.0
471.33936	1.8
489.35510	4.2
546.26996	1.4
624.28851	2.1
624.39209	1.2
625.40076	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	625.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
61.45760	0.4
62.43605	0.3
67.05487	0.4
67.99159	0.4
79.05466	0.5
79.67285	0.4
81.07013	0.4
86.08958	0.4
95.08579	0.4
102.36935	0.4
144.62669	0.4
178.65190	0.4
232.71085	0.4
275.43408	0.4
315.19366	2.2
333.20364	3.1
336.38638	0.4
625.40631	100.0
626.40942	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	625.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04613	0.4
52.38105	0.4
53.12706	0.4
54.50729	0.4
54.81707	0.4
67.05487	1.0
68.13822	0.5
79.96899	0.5
81.07023	0.7
83.40100	0.5
95.08619	0.6
110.62847	0.6
125.06500	0.5
152.15308	0.5
184.89613	0.5
333.20551	1.2
369.39777	0.5
427.79663	0.6
440.99234	0.5
625.40649	100.0
626.40997	2.6
627.69434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	3.3
53.03937	2.0
54.81650	2.8
55.01849	2.9
55.05498	13.0
57.03415	2.1
57.07064	19.2
57.72130	2.2
62.72272	2.6
64.33129	2.8
66.34006	2.2
67.05498	21.0
69.07040	16.6
71.04965	2.6
79.05480	19.5
79.14394	2.2
81.03391	11.0
81.07050	26.6
82.97563	2.4
83.04959	9.5
83.08598	5.7
85.10178	43.5
91.05455	22.8
93.07006	16.8
95.04940	10.8
95.08575	20.2
97.06493	3.4
97.10140	2.7
105.07011	12.0
107.04958	12.5
107.08566	6.2
109.06500	3.3
109.10130	3.8
111.08044	2.8
113.09630	36.6
119.08607	3.5
121.10122	5.3
123.11685	3.5
131.08568	3.5
133.10172	3.5
145.10034	3.6
147.11719	5.3
149.09607	11.9
152.23485	2.7
163.11133	3.4
165.12750	47.4
212.31146	3.0
277.21573	59.0
295.22681	100.0
332.29352	3.0
400.33585	3.0
624.39142	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	623.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54636	0.2
51.93193	0.2
54.80812	0.2
56.05841	0.2
62.27999	0.2
63.13095	0.2
67.05476	0.3
69.52661	0.2
73.40500	0.2
78.06147	0.2
79.05464	0.3
81.07060	0.4
83.49161	0.2
93.07017	0.3
95.04942	0.3
111.74055	0.2
155.37740	0.2
160.12102	0.2
200.02377	0.2
212.26378	0.2
249.11020	0.4
315.19275	1.1
331.18814	1.9
334.25797	0.2
346.91925	0.2
403.19138	0.2
405.20316	0.7
417.17142	0.8
432.19147	0.8
433.20078	0.8
476.21701	0.4
519.23676	2.0
521.21362	0.3
563.26465	1.5
579.26288	0.3
623.28900	7.7
623.39001	100.0
624.28851	0.8
624.39252	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	623.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29052	1.0
62.41660	1.3
67.05495	1.3
67.87002	1.3
69.42774	1.2
81.07052	1.4
92.08556	1.1
195.98042	1.3
259.06842	1.2
358.31369	1.4
368.18234	1.6
375.44043	1.6
427.65549	1.7
466.11694	1.3
623.39954	4.6
623.48492	100.0
624.48712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34719	0.4
53.03925	0.9
54.59267	0.4
55.01864	2.7
55.05494	0.5
57.03436	0.8
67.05487	0.7
69.03416	3.3
69.07077	1.1
71.04953	0.5
77.48878	0.5
79.05469	7.4
81.03411	2.5
81.07030	5.6
83.04965	0.6
85.02904	5.4
86.60261	0.5
91.05452	1.9
92.08703	0.6
93.07083	0.6
95.08575	0.7
97.02895	2.2
97.06520	3.4
99.04427	0.9
103.05449	2.7
105.07017	42.2
107.04935	1.2
107.08552	0.9
109.02839	0.9
109.06478	2.2
117.07032	0.7
119.08604	1.0
122.03629	2.4
124.05225	1.0
127.03900	0.6
128.56529	0.5
129.07005	0.7
131.04903	0.7
131.08549	0.8
133.06470	46.1
135.04422	0.8
137.05962	75.3
147.08072	0.6
149.09601	0.8
151.07529	2.2
159.08064	1.0
163.07573	1.0
165.09085	100.0
171.08055	0.7
177.09126	0.6
185.09579	0.7
189.09038	1.0
193.08562	0.6
200.10767	0.7
201.09178	0.6
201.12898	0.8
203.10767	0.6
233.81770	0.6
239.10562	0.7
261.43784	0.6
263.10663	0.7
271.13278	2.4
272.14063	3.0
273.14746	1.1
285.14661	0.7
367.15317	1.1
391.19034	1.1
409.20013	32.3
427.21277	0.8
594.24268	0.6
624.25201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50865	0.5
53.03941	1.4
55.01868	2.5
55.05508	1.3
57.03427	1.0
61.02915	1.4
69.03419	4.4
69.07053	2.6
71.04976	0.8
73.84761	0.7
79.05479	10.0
81.03400	3.8
81.07035	2.9
83.04971	6.3
85.02890	8.7
87.42108	0.7
91.05460	3.6
92.09357	1.5
93.07059	1.3
94.04169	1.2
95.04967	2.8
97.02888	3.4
97.06499	7.3
99.04463	1.0
103.05450	8.4
105.07001	7.5
107.04974	1.6
109.02898	0.7
109.06482	1.1
111.04422	0.7
117.07012	3.3
119.04919	2.6
119.08583	3.2
121.06451	0.9
122.03635	4.2
122.06002	0.6
123.04379	1.1
124.07579	1.0
127.03900	2.5
128.06241	1.1
129.06963	1.3
131.04912	22.9
131.08531	4.2
133.06464	4.5
133.10118	3.3
135.08104	1.1
136.21230	0.7
137.05962	100.0
138.09175	0.6
142.07793	3.2
143.08592	2.7
145.06496	1.2
145.10133	3.0
147.08051	2.8
147.11674	1.4
150.06697	1.1
151.07541	1.3
155.08612	1.0
157.06506	1.0
157.10118	7.1
159.11708	1.0
161.05963	3.3
161.09616	1.1
163.07515	54.5
165.07039	0.8
165.09097	4.5
167.08516	0.9
171.08015	4.1
173.09605	1.6
175.07497	1.2
175.11154	12.3
177.09114	1.0
181.10011	0.7
185.09663	1.4
187.07544	1.4
187.11197	0.7
189.09090	5.0
195.08125	0.7
198.10361	0.9
199.07544	2.3
201.09082	1.4
207.10117	0.7
213.12689	1.1
215.10629	6.6
223.11195	0.7
227.10605	0.8
231.10194	1.4
241.12196	44.1
246.12849	0.6
259.13232	19.2
273.14938	2.8
285.14789	21.6
303.15872	3.8
337.16611	1.4
363.16272	0.7
409.20038	8.9
427.21094	28.2
428.21356	0.9
497.53519	0.8
624.27545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.6
53.03945	1.5
53.80848	0.3
55.01872	2.5
55.05508	1.7
57.03437	1.5
61.02921	1.6
61.78043	0.3
62.38970	0.3
67.05492	1.9
69.03416	3.3
69.07053	5.6
71.04990	0.6
71.21534	0.4
73.02913	0.5
79.05473	11.5
81.03411	1.9
81.07031	2.8
82.06591	0.4
83.04970	5.5
85.02892	8.0
87.04442	0.5
91.03871	0.3
91.05456	3.6
93.07018	0.9
94.04185	1.4
94.06549	0.3
95.04964	1.9
97.02911	2.9
97.03415	0.4
97.06511	29.8
99.04431	0.6
103.05446	11.4
105.07005	3.2
107.04968	1.6
107.08581	0.7
108.08150	0.4
109.02866	0.8
109.06502	0.9
111.04429	0.4
115.05437	1.5
117.07005	2.0
119.04974	0.7
119.08557	0.5
121.06486	0.8
122.03591	4.5
122.06007	0.4
123.04362	0.5
124.07529	0.7
127.03870	1.6
128.06189	2.0
129.06978	1.6
131.04909	32.3
131.08531	2.0
133.06471	2.2
133.10127	0.5
135.08026	1.7
137.05959	100.0
138.06557	0.4
138.09100	0.7
141.06934	0.8
142.07773	0.6
143.08554	3.9
145.06494	2.0
147.04367	2.1
147.08017	1.6
148.05177	0.4
149.05989	0.5
150.06729	1.6
151.03906	0.3
151.07521	2.1
153.06956	0.5
154.08603	2.4
155.08800	0.6
157.06464	0.8
157.10086	1.6
159.08029	2.1
159.11665	0.5
161.05933	6.4
161.09572	2.4
162.06725	1.7
163.07510	93.4
165.06964	0.5
165.09123	1.6
167.08548	0.7
169.06435	0.5
169.10056	0.4
171.08026	3.7
173.05923	0.5
173.09639	1.4
175.07484	2.4
175.11115	0.5
177.09019	1.5
179.07042	0.6
179.08438	0.6
181.08519	0.5
183.08005	0.6
184.08817	0.5
185.05905	0.4
185.09518	2.8
185.13213	0.5
187.07411	3.1
187.11055	0.6
188.08247	0.8
189.09052	9.7
195.07990	0.5
199.07555	0.6
207.10156	2.5
209.09615	0.5
213.09106	0.9
213.12715	1.9
215.10612	6.9
217.10065	0.6
217.12199	1.7
225.08986	0.6
227.10712	0.8
230.10371	0.4
231.10255	0.7
231.13722	0.5
233.09499	0.4
233.11740	0.5
235.07431	0.4
239.10620	2.2
241.12178	41.0
243.07706	0.5
245.09172	0.5
250.54102	0.4
251.10675	0.4
257.09116	0.6
257.12668	0.7
258.13330	0.5
259.13239	32.3
261.08752	2.2
262.09048	0.5
273.14764	3.9
285.11810	0.7
285.14777	17.6
289.11682	0.6
301.10507	0.8
303.15909	10.6
311.12668	0.9
313.11407	0.6
314.11926	0.5
330.11957	2.2
331.12769	4.0
332.12970	2.2
333.10675	0.7
348.12997	2.1
349.13806	3.3
350.14243	1.6
361.02463	0.4
363.15613	1.6
365.17227	1.5
370.86255	0.4
380.19296	0.5
381.20139	0.5
383.18542	0.8
391.18820	1.6
409.19998	15.5
426.20337	0.7
427.21069	24.6
500.20175	0.7
501.20544	0.4
535.72021	0.4
606.25848	0.7
623.26910	0.7
624.27332	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	623.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09835	0.2
56.54914	0.2
56.96557	6.0
56.96799	0.5
73.92484	0.2
81.21304	0.3
94.92013	0.3
98.97520	0.6
106.00751	0.3
116.98569	0.6
128.98511	1.8
146.99605	2.1
149.01108	1.2
156.16238	0.3
156.40840	0.3
161.01189	0.6
165.00623	0.6
167.03683	0.3
169.01561	0.3
171.03195	1.7
185.04810	3.1
189.04260	1.6
198.02083	0.4
199.06366	4.3
203.05885	5.2
211.06358	0.5
217.05470	0.4
217.07442	8.9
221.06859	0.6
223.02699	2.2
223.08496	1.2
225.07913	0.4
226.05005	1.8
229.07497	0.6
231.08904	0.3
237.04257	4.6
237.07866	0.4
238.05156	0.4
239.05882	0.3
239.09512	0.6
241.03734	0.6
241.07350	0.4
243.09000	0.5
244.06036	0.4
245.10539	0.4
249.07971	0.6
252.06369	0.3
253.10976	0.5
255.05219	1.5
255.09026	0.3
257.10541	0.5
262.08691	0.7
265.07425	0.4
267.08865	2.3
271.12061	0.6
279.08801	0.6
280.09766	3.1
281.10501	1.1
285.10059	0.7
293.10556	0.5
298.10724	1.5
299.11575	1.1
307.15793	2.0
313.14664	0.3
315.19196	3.3
325.16840	0.6
331.15594	13.7
349.16776	100.0
350.17065	1.8
353.97861	0.3
367.17810	4.5
372.18344	2.7
408.47995	0.3
623.36072	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.1
53.30415	1.1
55.05503	2.1
57.07059	2.1
64.08105	1.0
65.51640	1.1
66.76746	1.1
67.05485	3.1
69.07073	1.7
79.05474	2.4
81.07036	7.6
83.08611	1.2
85.94694	1.1
91.05459	1.4
93.07003	4.8
95.04958	3.0
95.08587	2.5
105.01366	1.2
105.07077	2.0
107.04939	2.0
107.08573	1.7
113.09589	2.0
119.08561	2.3
128.36411	1.3
149.09593	2.0
166.76398	1.2
169.38318	1.2
171.14984	1.4
181.74791	1.3
275.19937	2.2
277.21677	2.6
295.22641	6.9
313.17960	1.4
314.21558	1.2
315.19391	2.6
331.18683	6.3
372.09229	1.4
377.45859	1.3
525.32111	2.0
555.60114	1.6
605.38043	61.2
623.28955	6.7
623.39026	100.0
624.39069	1.7
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
51.42712	0.7
54.19412	0.8
55.05512	1.4
57.08611	0.7
62.19621	0.8
64.99580	1.0
67.05487	1.0
69.07042	1.2
76.35275	0.9
79.05523	1.1
85.94680	0.9
92.08675	2.3
93.07021	1.5
95.08591	1.2
105.06977	1.4
106.23540	0.8
107.08583	1.1
112.92784	1.0
119.08542	1.5
128.97955	1.0
174.79137	0.9
181.84204	0.9
221.76050	1.0
275.20184	1.5
331.18832	1.6
391.19058	1.4
405.65927	0.9
418.17627	1.6
419.17981	2.2
419.22818	1.9
421.23947	2.1
433.20117	4.2
445.20139	4.8
446.20911	1.3
447.22211	3.1
448.22522	1.3
449.23218	5.7
458.20889	1.2
459.21521	1.5
461.19351	3.2
463.21054	2.2
475.20859	1.5
476.21887	2.2
477.22769	4.1
489.23267	1.2
533.25134	4.8
535.26477	4.1
545.25659	1.6
547.27118	1.3
563.26660	23.9
605.27380	1.9
606.27692	2.0
623.28284	100.0
623.38934	46.7
624.28827	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19239	0.4
67.05491	0.6
69.03398	0.5
79.05476	2.1
81.07045	0.6
85.02886	0.7
89.84775	0.5
91.32199	0.5
92.08644	1.4
93.07043	0.8
94.06531	0.7
95.05064	0.5
95.08583	0.6
96.08129	4.3
102.05096	0.6
105.07029	1.0
107.08619	0.7
110.06046	0.9
110.09662	1.0
119.08540	0.8
120.08082	2.2
121.10146	0.7
122.06017	0.6
122.09658	0.7
123.06811	5.5
123.08054	1.2
124.07565	21.6
137.05942	2.1
138.09117	89.0
139.08530	0.5
139.09459	4.1
159.09161	0.6
164.06953	0.5
164.10680	6.5
165.09109	0.9
166.08638	3.0
173.10770	2.0
185.07059	5.2
185.10670	2.3
186.07796	1.0
192.10191	1.0
199.08676	1.1
200.09390	3.3
201.10196	12.8
201.30788	0.5
204.10101	0.6
210.11226	0.6
211.08676	4.0
212.09415	1.2
215.11690	4.3
217.09686	0.7
218.10446	4.2
219.11253	9.2
225.10168	2.2
227.11771	10.8
228.12184	0.7
229.13310	2.4
231.11281	1.1
233.12854	0.7
243.11275	2.6
244.08363	9.3
245.09157	44.6
245.12787	5.8
246.09489	3.6
247.09843	1.0
247.14339	2.0
253.09622	1.1
255.11316	1.1
257.09088	3.2
259.10770	5.7
260.11273	0.9
261.08560	4.1
261.12430	1.0
262.09470	1.2
269.09149	3.1
269.72882	0.5
271.10727	35.8
272.11014	3.2
273.12329	15.3
274.10751	0.6
283.10873	0.6
284.11505	2.6
285.09052	0.8
285.12155	6.2
287.10321	2.0
289.11777	6.3
291.13403	7.1
297.08719	2.8
299.10281	5.8
315.09717	28.6
316.10052	3.8
317.11240	19.7
318.11627	2.3
319.11688	0.5
331.12479	0.6
384.18976	3.0
392.19467	2.4
393.17691	0.6
408.19028	1.9
410.20621	10.0
418.17609	1.6
428.21771	6.0
436.18625	23.1
437.18930	1.2
438.19574	1.0
440.60321	0.6
454.19653	30.2
455.19980	6.1
456.20349	6.3
468.17847	0.6
484.20828	1.0
575.28589	10.4
592.28015	3.7
593.29529	100.0
594.29633	2.7
600.06470	0.6
605.25336	1.0
622.28931	0.9
623.30676	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	623.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64119	1.2
53.03940	2.3
55.01852	6.9
55.05502	23.4
57.03421	11.0
61.02920	21.2
65.03944	1.6
67.05145	2.1
67.05494	44.5
69.03415	8.3
69.07043	21.1
71.04965	2.5
73.02908	6.4
79.05472	38.4
81.03407	6.9
81.06606	2.0
81.07043	44.8
83.08617	9.5
85.02886	18.8
86.26050	1.5
91.03938	7.3
91.05462	50.4
93.07020	35.3
95.04941	8.0
95.08594	20.8
97.02887	13.8
97.06517	2.3
97.10165	2.2
103.05448	3.7
105.07018	38.2
107.04953	7.7
107.08587	14.4
109.02834	2.6
109.06522	6.9
109.10114	9.5
111.08037	1.8
115.05450	2.6
117.06989	37.3
119.04919	2.3
119.08548	20.7
121.06499	8.1
121.10118	9.8
127.03854	1.8
128.06194	9.8
129.06990	39.6
131.04897	2.0
131.08542	42.6
133.06450	7.3
133.10106	13.7
135.08025	2.7
135.11836	2.1
137.05910	2.0
141.06961	18.0
142.07701	3.4
143.08548	31.9
145.06471	9.1
145.10110	24.1
147.08047	7.4
147.11678	3.0
149.09645	3.9
153.07031	2.5
155.08542	23.1
157.10107	17.9
159.07999	6.6
159.11685	7.7
161.09612	2.3
165.06949	2.4
166.07719	1.9
167.08533	11.0
169.10094	19.5
171.11716	12.2
173.13229	2.2
179.08464	3.9
181.10048	12.4
183.11711	9.0
185.13300	6.2
185.41199	1.7
189.12782	1.8
193.10063	2.8
195.11717	10.3
197.13150	3.4
201.12700	2.2
205.10101	1.7
207.11639	2.6
209.13316	3.1
211.11153	3.0
211.14853	6.7
213.12808	3.2
215.14337	2.2
217.15762	2.1
221.13232	9.1
223.14914	2.1
225.12608	1.8
234.02534	1.6
235.14777	3.0
239.14343	3.1
241.16107	1.8
269.87323	2.0
285.18307	2.0
315.21259	1.8
323.23691	7.0
333.22067	10.7
341.24716	3.1
351.23172	23.8
369.24313	19.3
387.25024	9.3
425.26636	2.7
433.29425	2.4
443.27866	100.0
446.54080	1.8
461.28934	60.6
602.50696	1.7
651.59137	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01870	5.6
55.05504	16.3
55.11852	0.5
57.03433	0.8
57.07067	1.4
66.55367	0.6
67.05494	16.7
68.05830	1.2
69.03443	0.6
69.07058	8.5
70.84542	0.5
71.04974	1.2
71.08621	0.9
77.67798	0.7
79.05477	14.4
80.05838	1.2
81.03404	4.9
81.07043	18.0
82.07372	0.9
83.04977	3.5
83.08611	14.0
91.05453	14.6
92.05772	0.8
93.07024	15.5
93.07568	1.0
94.07391	0.8
95.04954	20.5
95.08582	11.2
96.05289	0.7
97.06530	4.3
97.10160	2.9
99.08075	0.8
105.07014	15.5
106.07369	1.3
107.04956	5.6
107.08589	9.4
108.05335	1.0
109.06519	4.8
109.10128	5.1
111.08063	5.4
113.06065	0.6
113.09657	1.1
117.07008	7.0
119.08547	13.2
120.08924	1.4
121.06491	2.8
121.10130	7.5
122.23024	0.6
123.08046	2.2
123.11683	1.2
125.09604	1.2
129.07002	2.2
131.08540	5.1
133.10110	9.7
134.10484	0.7
135.08089	3.2
135.11713	3.3
137.09662	1.2
139.11124	1.1
143.08574	1.2
145.10103	10.0
146.10516	1.0
147.08090	1.5
147.11642	5.1
148.11923	0.6
149.09601	10.8
149.13255	0.9
150.09923	1.0
151.11206	1.0
157.10118	0.9
159.11729	4.4
161.13257	1.1
163.11153	11.8
164.11571	3.0
165.12773	3.5
169.10118	1.0
173.09618	1.5
173.13255	0.9
175.11227	1.1
179.14336	1.1
189.11139	0.8
189.12700	0.8
223.13295	7.7
224.13672	0.9
239.17870	2.1
245.10980	0.7
257.19058	3.6
275.20023	22.9
275.22882	1.1
276.20309	9.9
277.21579	8.0
278.22165	2.6
293.21078	21.7
293.58569	0.7
294.21381	7.7
295.22574	6.8
296.23056	1.5
335.41571	0.6
344.23087	0.7
398.16251	0.7
414.18588	1.3
415.19278	1.4
416.19818	0.7
419.22656	0.8
427.18747	0.8
428.19781	0.8
429.20944	7.3
430.21906	1.3
432.19019	1.1
433.24231	1.0
441.20798	0.9
443.22244	4.1
444.23093	3.3
445.24298	1.3
447.21866	3.2
449.23495	1.2
457.19241	0.8
457.24530	1.1
458.24686	2.9
459.21744	4.9
460.22574	3.6
461.23422	3.9
462.20694	2.9
471.22009	2.4
472.22601	5.3
473.23315	3.3
476.21848	1.1
477.22687	3.1
485.23279	7.6
486.24249	1.4
487.24799	3.2
489.22693	1.3
503.24405	4.0
504.25525	1.1
517.25934	2.9
519.23706	2.5
520.24359	0.9
521.21704	0.8
531.23840	7.0
545.25439	58.6
546.26385	1.1
562.24951	0.8
563.26434	11.8
595.29309	0.9
605.27844	5.8
623.28540	100.0
623.37238	6.1
624.28821	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
57.07069	2.3
67.05494	5.7
69.07039	2.1
77.60107	1.0
79.05476	5.9
81.03415	1.9
81.07045	8.0
83.08631	1.6
84.09644	1.0
85.10148	2.4
91.05479	6.2
93.07030	6.5
93.42170	0.9
95.04947	5.4
95.08590	5.4
105.07019	4.5
107.04933	1.5
107.08607	2.4
109.78107	1.0
111.08085	1.0
113.09646	5.0
117.06945	1.8
119.08568	1.6
121.10156	1.5
131.08577	1.2
133.10054	1.6
145.10075	1.8
147.11649	2.0
163.11116	1.2
165.12752	5.4
170.29393	1.0
190.27078	1.1
248.20700	1.1
255.70062	1.0
275.20099	5.3
276.20319	1.3
277.21570	5.3
278.21899	1.9
279.70749	1.1
289.71246	1.0
293.21118	2.1
295.22595	6.1
296.23001	5.0
403.20129	1.3
405.20679	2.4
428.19595	1.3
429.20749	3.9
433.20081	6.3
447.17886	9.6
448.22513	4.2
449.23050	3.7
459.21600	2.3
461.19275	9.8
463.20862	1.3
475.21225	1.5
476.22049	23.2
477.22260	2.3
485.23294	5.3
503.24493	1.8
517.25574	1.2
521.25244	1.6
531.23712	2.3
545.25250	13.5
563.26147	10.1
591.25757	2.5
605.27148	2.0
623.28259	100.0
623.37433	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37286	0.8
69.82217	0.8
76.62434	0.9
269.88846	1.0
298.13690	0.9
341.33643	0.8
391.19150	4.3
392.19955	3.5
393.20676	1.0
401.17743	1.0
402.18747	1.5
403.20285	1.2
404.20441	1.5
405.20685	5.5
406.21463	5.4
407.22186	14.1
413.17679	1.0
414.18594	1.5
415.19034	6.0
417.20490	0.9
420.23215	1.5
421.23865	13.0
422.24622	1.5
427.19025	1.3
428.20169	3.9
429.20810	15.6
430.21356	1.3
433.19812	1.4
442.22006	1.5
443.22510	7.1
444.23056	4.8
445.20480	1.6
447.18008	1.4
457.23782	5.3
458.24579	5.8
459.21698	9.3
460.22632	1.9
461.19720	5.3
462.20477	2.0
463.20868	1.2
470.20850	2.1
471.21747	1.6
472.22287	7.3
473.23410	1.7
475.21323	6.8
476.22046	5.3
477.22623	3.8
484.18658	1.2
485.23364	14.6
486.20227	1.7
489.23019	1.5
499.21225	6.7
500.21994	1.6
503.24207	11.6
504.24796	1.0
513.22809	3.2
517.26068	7.7
529.25970	1.6
535.26733	7.4
545.25360	87.9
564.27148	1.8
573.24945	18.9
605.27441	82.9
623.28540	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61049	0.3
53.03943	0.7
53.62901	0.3
53.80210	0.3
55.01867	1.7
55.05514	4.9
57.03423	0.4
57.07068	2.4
67.05494	6.9
68.05826	0.3
69.07053	3.9
71.04969	0.5
71.08626	0.4
71.67558	0.4
75.08908	0.3
79.05483	8.1
80.05811	0.5
81.03419	1.6
81.07041	10.1
82.07364	0.8
83.04975	2.0
83.08618	2.3
85.06539	0.4
85.10179	3.0
91.05458	8.3
92.05798	0.6
93.07015	6.0
94.07322	0.3
95.04944	3.1
95.08598	5.0
96.05273	0.3
96.44919	0.3
97.06518	0.7
97.10125	0.5
100.00037	0.3
100.61098	0.3
103.85443	0.3
105.07024	5.0
106.07341	0.4
107.04967	2.2
107.08565	3.1
109.06528	1.5
109.10155	1.8
111.08083	0.6
113.09607	2.7
114.10020	0.5
117.07041	1.3
119.08578	3.9
121.10112	2.2
123.08048	0.8
123.11723	1.4
125.09635	0.5
129.06996	1.4
131.08545	2.4
133.06500	0.4
133.10155	2.4
135.11696	1.7
143.08524	0.5
145.10133	1.9
147.11711	1.8
149.09636	2.0
149.13345	0.4
150.35144	0.4
151.11142	2.7
152.11478	0.4
157.10129	0.5
159.11703	0.8
163.11162	1.6
164.11514	0.5
165.12767	4.1
166.13087	0.4
175.11183	0.7
233.10904	0.4
249.43460	0.4
257.18915	0.4
259.20569	0.7
259.23825	0.4
275.20062	4.8
276.20389	1.9
277.21542	5.3
278.22037	1.3
293.21194	1.4
294.21579	0.4
295.22717	4.4
296.23087	0.6
297.15924	0.4
308.37683	0.4
315.19272	0.5
322.60513	0.4
331.18918	0.8
389.17517	0.8
390.18106	0.5
391.19003	1.6
392.19769	0.6
400.17102	0.4
401.18045	0.6
401.50488	0.4
403.19189	2.1
404.20331	0.8
405.21228	2.6
406.21652	0.5
407.22250	1.7
415.18979	1.6
416.20084	0.7
417.21298	2.8
418.17502	0.6
419.17734	1.2
419.22992	4.0
420.23117	0.8
429.20563	1.9
430.17755	2.0
430.22440	0.5
431.17905	3.7
432.19131	1.8
433.20184	7.0
435.21619	0.6
443.18634	2.3
444.19366	2.0
445.19775	5.7
446.21313	2.8
447.21896	6.0
448.22702	0.8
449.22742	0.5
458.20969	9.1
459.21631	6.7
460.22659	5.3
461.19006	0.6
463.20895	3.3
472.22623	0.5
473.23471	1.8
475.21295	1.5
476.22098	2.1
477.23080	2.1
485.22739	0.5
517.22430	0.6
518.22913	4.4
521.21442	0.8
533.25464	9.5
535.27197	2.6
545.25482	4.0
546.26257	0.7
563.26434	6.6
573.25134	0.7
605.27570	12.2
622.27039	0.5
623.28326	100.0
623.38977	45.9
624.28064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84414	0.8
57.03436	1.0
59.85262	0.6
67.05496	1.3
69.03400	1.2
69.07040	1.5
70.06578	1.1
71.04965	0.9
81.07024	1.2
85.02888	3.9
86.09695	1.0
91.05466	1.4
93.07028	1.7
94.06545	1.8
97.02881	1.2
98.89196	0.9
101.05984	1.2
103.05450	2.1
104.08025	1.0
105.07000	1.0
107.08559	1.5
108.08064	1.6
110.05986	2.7
112.07598	0.9
119.04947	1.2
119.08598	1.8
122.05989	7.2
124.07621	1.3
127.03906	1.5
131.04883	9.9
132.05264	1.2
133.06520	1.2
134.05959	0.9
134.09636	1.5
135.08003	1.5
136.07536	6.6
137.05998	4.2
138.09161	0.9
140.07085	3.6
150.09076	1.0
151.07536	1.1
152.10696	1.1
154.08607	14.7
162.09125	2.0
163.07571	3.8
164.07076	5.8
171.61530	0.9
175.08662	1.4
180.10152	11.2
187.08707	3.8
189.10193	1.2
190.08656	3.5
199.08725	3.9
200.09398	3.1
201.06555	16.8
201.10217	1.2
202.07396	9.1
208.09642	12.3
213.10248	4.3
215.08186	6.5
215.11745	3.4
216.08936	1.8
217.09689	26.9
219.11284	3.7
226.11052	1.2
227.08086	5.4
227.11751	4.1
228.08932	1.3
229.13327	1.5
233.09239	3.4
233.12732	1.0
234.10045	4.1
235.10777	20.4
241.09680	9.6
243.07610	15.4
243.11171	6.5
245.09386	1.4
245.12718	1.2
255.11249	4.5
257.09213	10.5
257.12741	11.0
259.10699	11.3
260.07922	1.3
261.08643	100.0
261.12146	4.9
269.09219	4.6
271.10779	1.9
273.12399	4.7
274.13031	1.4
275.13745	8.5
283.10837	4.4
285.08710	17.0
285.12253	5.6
287.10193	32.5
289.11813	1.6
301.11752	41.4
302.12628	1.1
303.09766	1.2
313.08170	12.8
315.09705	1.7
317.15225	5.0
331.09198	11.7
333.10773	8.8
336.13593	1.1
347.12799	1.2
348.13342	1.4
362.14975	1.4
364.16449	4.8
376.16580	5.2
378.18524	1.4
390.14417	1.1
391.15469	1.8
394.17569	1.2
396.19006	3.2
398.17178	6.7
404.16174	1.8
407.16064	1.4
408.15366	3.8
422.16989	40.0
424.18692	7.3
426.16647	1.5
440.18546	1.0
442.19669	29.2
450.16528	24.5
460.20703	24.5
468.17551	71.4
482.19153	1.8
486.18631	46.0
605.25977	25.2
623.26978	94.2
624.27106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98523	0.9
55.01872	2.2
56.59823	1.0
58.39396	1.1
62.91881	1.1
67.05499	4.3
70.63036	1.0
81.07050	1.5
91.05457	11.0
92.08768	2.2
93.05769	2.1
93.07009	10.0
94.06562	7.3
95.04990	2.8
96.04490	2.6
99.58164	1.1
102.19739	1.1
108.08106	21.7
109.06521	2.4
110.06031	5.0
112.66870	1.1
117.05836	1.1
119.04937	6.2
120.08060	1.3
121.06539	2.1
122.05993	22.8
122.58288	1.2
127.26010	1.2
129.77481	1.2
136.07559	45.7
138.09160	2.4
140.07098	4.5
144.96986	1.1
146.05984	4.4
147.04410	5.4
149.07100	2.6
154.08609	23.8
160.07593	2.1
162.05496	1.7
162.09074	1.8
163.08723	1.9
164.07036	100.0
172.07623	1.3
174.09113	4.4
175.05078	1.4
176.07056	1.6
177.06601	7.8
180.10197	6.8
181.09758	5.9
186.05505	1.3
187.08723	1.5
188.07021	1.8
190.08699	2.4
191.08157	6.6
198.09196	1.6
200.07117	2.9
201.06467	1.7
202.08740	9.2
203.08092	13.1
204.06546	8.1
205.09824	1.3
212.10713	2.5
213.10284	2.0
215.11742	2.5
216.10258	4.6
217.09619	9.8
218.08160	6.1
220.09669	1.8
228.06590	1.8
228.10394	4.6
229.06075	5.5
229.13298	2.1
230.08102	5.7
230.11717	1.6
235.10779	4.4
240.10165	2.6
241.09714	4.7
242.10538	1.7
243.11293	1.4
244.09633	4.6
245.09099	13.1
245.13045	1.7
246.07549	2.9
247.10715	1.8
248.09329	1.8
249.41339	1.2
255.11349	1.6
257.09476	1.4
257.12869	6.7
258.11237	19.3
259.10867	1.7
261.08746	13.7
261.12323	1.5
263.10193	15.7
269.09412	1.3
271.07129	2.3
272.09149	4.2
273.12280	2.0
274.13168	2.0
275.13910	6.9
283.10809	1.2
284.13681	1.3
285.09448	1.7
285.12415	7.1
287.10245	20.9
289.12000	1.1
299.13937	1.8
300.11209	1.5
301.11780	39.3
301.15170	1.8
302.15054	2.4
305.11221	16.3
307.12982	2.7
315.09857	1.5
330.14377	11.8
351.17023	1.9
355.16531	1.6
364.16229	1.2
366.18445	2.3
378.18381	1.9
379.16623	6.4
380.15726	1.3
396.19455	1.5
397.17487	22.9
407.15894	5.6
422.17117	4.2
424.18491	6.7
425.17017	40.0
438.20493	1.9
440.17953	2.2
442.19577	25.6
450.16266	4.2
460.20792	14.9
468.17499	28.1
470.19489	1.9
486.18723	1.6
493.20181	1.4
587.25195	2.2
605.25946	44.4
623.27020	57.1
640.62354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
59.45633	1.3
67.05473	8.1
68.84890	1.4
84.08130	2.4
85.02876	2.8
91.05461	7.5
93.05760	2.0
93.07005	10.9
93.37395	1.8
99.29654	1.9
106.06497	2.2
108.08097	19.3
110.06026	8.8
118.06510	4.0
119.04908	8.8
121.06486	2.4
122.06002	24.6
123.06792	3.2
124.07555	3.9
136.06609	2.7
136.07568	40.8
140.07033	2.6
147.04381	7.2
148.07535	2.1
149.07045	2.7
154.08618	22.4
159.55200	1.7
160.07507	3.1
162.09142	2.1
164.05641	3.6
164.07027	100.0
164.11662	2.3
174.09004	1.6
175.08585	2.2
177.06512	7.1
181.09691	8.6
187.08563	3.0
188.06996	3.0
189.10065	2.1
190.08571	2.6
191.08134	10.4
192.10237	2.0
200.07082	4.2
201.10208	2.5
202.08633	11.1
203.08136	30.8
204.06538	11.9
213.10295	2.4
215.08156	2.5
217.09744	17.5
228.06560	4.0
229.06042	11.7
230.08089	11.3
233.09128	2.1
235.10744	3.1
243.07555	2.5
244.09671	2.7
245.09193	23.5
245.12816	3.2
246.07553	2.9
247.10698	2.1
257.12820	7.7
258.11252	8.0
259.10770	3.2
261.08630	11.5
263.10184	23.0
271.07022	6.6
272.09033	3.3
273.12512	2.7
275.13812	8.5
277.11826	2.4
285.12350	6.8
287.10126	21.8
299.13766	3.4
301.11719	33.6
305.11227	30.2
307.12875	7.4
315.09351	2.5
330.14462	7.0
335.15942	2.0
352.16034	2.0
364.16214	2.6
366.17996	7.2
377.28448	1.8
380.15646	2.6
397.17554	8.6
414.19952	2.9
420.19061	2.9
422.16977	3.4
424.18195	7.0
425.17300	14.4
438.20251	3.3
440.18066	2.8
442.19751	25.6
450.16135	3.4
460.20541	20.6
468.17493	25.5
470.18961	7.0
486.18716	6.5
559.25562	3.2
587.24249	2.5
605.25903	53.4
623.26874	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.3
58.00733	1.7
58.32184	2.2
67.05498	8.4
71.02452	3.2
91.05436	13.8
93.07002	9.0
94.06543	14.9
106.78284	2.1
108.08105	25.3
109.06524	2.7
110.05991	4.2
111.41960	2.5
118.06528	2.6
119.04903	10.5
121.06466	3.8
122.06006	52.3
124.03880	2.6
124.07594	3.5
132.08072	2.4
136.07547	55.9
136.95169	2.6
138.09117	4.8
140.07016	4.8
146.06000	2.7
147.04391	4.1
148.07454	3.2
149.07106	2.7
154.08611	33.2
160.07603	7.6
162.09103	2.7
164.07030	95.5
174.09106	9.2
175.08661	3.4
177.06509	20.1
181.09671	18.4
188.07043	9.2
189.10172	3.8
190.08598	5.5
191.08070	31.4
199.08614	4.3
200.07031	3.9
201.06522	11.0
201.10199	4.2
202.07106	2.8
202.08646	43.1
203.08116	65.5
204.06577	30.1
205.09868	2.5
208.09976	2.2
213.10121	4.6
215.08134	10.6
215.11638	2.4
217.09705	39.6
219.11206	3.0
220.09613	2.8
228.06546	3.2
229.06010	32.8
230.08121	18.6
231.07649	5.0
231.11278	5.7
235.10657	3.3
241.09589	10.1
243.07567	12.1
243.11247	8.7
245.09140	50.9
245.12802	8.2
247.10706	4.7
248.09137	12.3
257.12759	10.1
259.10635	10.7
261.08624	14.4
261.12393	4.9
263.10172	60.3
269.09152	2.9
271.07031	16.2
272.09052	4.6
275.13806	5.0
277.11505	2.4
285.12088	2.7
287.10193	36.0
289.08096	3.7
299.13794	4.0
301.11707	36.1
305.11230	68.2
307.12872	22.5
313.07980	3.3
315.10022	2.5
333.10645	4.0
338.14587	4.3
364.16446	3.8
366.18066	20.6
378.18063	5.4
382.17651	2.8
396.19171	2.7
397.17245	3.9
414.20306	3.2
420.19128	13.4
422.16833	10.6
424.18344	8.9
425.16559	3.8
426.16467	3.2
438.19965	13.1
440.17865	5.3
442.19608	38.6
450.16364	9.8
460.20587	33.1
468.17523	46.0
470.19089	21.3
486.18564	9.4
559.24994	4.3
587.24780	4.4
605.25873	100.0
605.35638	4.0
606.25702	3.1
623.27057	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	623.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26124	0.8
50.32938	1.0
50.97673	0.9
55.01866	8.8
60.80610	1.2
67.05489	6.4
69.07039	1.1
71.41485	0.9
77.71845	1.0
78.52584	1.1
81.03412	1.5
81.07049	1.1
85.02901	2.2
91.05473	9.4
93.05756	1.5
93.07027	7.9
94.06545	13.1
95.04944	4.7
96.04488	1.3
98.06004	1.5
106.06557	1.1
108.08107	19.3
109.06487	2.4
110.06042	7.6
117.13514	1.0
118.06513	1.6
119.04932	7.4
121.06490	2.5
122.06007	43.7
122.10291	1.4
123.06759	3.9
124.07560	5.1
132.08093	1.5
134.05901	1.3
136.03920	1.1
136.07555	47.7
136.08528	2.2
137.05959	1.7
138.09146	5.8
140.07059	6.7
147.04362	2.4
148.07520	2.2
149.01210	1.4
149.07097	2.6
150.05513	4.5
152.01421	1.0
154.08606	30.0
159.08047	1.1
160.07556	8.9
162.05466	5.9
162.09143	2.4
163.08646	4.7
164.07039	92.9
172.07555	6.5
173.07047	1.2
174.09108	9.2
175.08527	3.9
177.06584	10.1
180.07289	1.4
180.10245	5.0
181.09715	22.0
186.05466	2.3
187.08688	2.6
188.07071	9.8
189.10216	2.7
190.08618	6.7
191.08156	26.1
192.06516	1.1
193.09724	1.1
197.01254	1.6
197.07365	1.1
199.08617	5.0
200.07069	5.9
200.10832	1.7
201.06479	8.6
201.10239	2.5
202.08693	28.5
203.04472	2.0
203.08122	44.2
203.10048	1.5
204.06534	21.5
205.09723	4.6
206.08138	2.0
208.09657	1.6
211.08656	1.2
213.10164	7.9
214.10915	2.3
215.08176	9.4
215.11786	5.2
216.10243	4.7
217.09708	26.1
218.08197	3.9
219.11351	2.2
220.09616	2.5
227.08084	5.6
227.11694	4.5
228.06787	1.6
228.08760	3.5
229.06044	23.0
229.09726	2.2
229.13377	2.5
230.08116	13.4
231.07602	5.9
231.11217	2.8
233.09242	5.3
235.10797	6.3
241.09740	9.3
242.10262	2.4
243.07593	7.9
243.11194	9.4
244.09610	7.3
244.11841	1.6
245.09172	41.5
245.12756	7.8
246.07509	9.8
247.10704	5.8
248.09077	10.9
257.09186	7.0
257.12814	12.0
258.11179	5.1
259.10773	13.4
259.14154	1.7
260.07928	2.7
261.08652	44.6
261.12173	2.2
263.10205	52.6
265.11819	2.0
269.09186	2.6
271.07101	14.1
271.10022	1.7
272.09042	6.5
273.09125	1.4
273.12167	8.8
274.13141	1.8
275.13824	10.3
276.12238	1.4
277.11780	1.5
283.10684	1.8
285.08710	6.1
285.12271	5.1
287.10245	43.5
288.08557	1.9
289.08160	6.1
289.11835	7.0
290.10049	1.6
295.14267	1.6
299.13907	4.7
300.11124	2.6
301.11758	93.9
303.13382	1.7
305.07745	2.3
305.11234	54.5
307.12762	11.5
313.08118	6.6
315.09760	4.7
317.14966	2.3
322.15286	2.2
330.14609	1.9
331.09042	2.4
333.10971	5.7
335.16431	1.4
336.17059	1.6
338.14929	4.6
350.14981	1.7
352.16467	1.5
355.16827	3.3
364.16507	4.7
366.18137	12.9
373.09268	1.4
376.16678	1.7
378.17917	5.5
379.16638	2.1
380.15717	4.5
382.17734	1.3
383.15961	2.1
394.17609	2.5
396.19284	1.9
397.17465	10.1
398.17026	7.1
400.18353	4.1
414.20212	2.2
419.13577	6.2
420.19031	11.4
422.17068	11.8
424.18512	9.0
425.17010	10.2
426.16623	1.7
438.20074	8.6
440.17984	7.2
442.19592	36.0
450.16641	11.9
460.20633	23.5
468.17590	72.4
470.19150	17.4
486.18445	10.3
487.23370	1.4
549.84705	1.2
559.25128	5.0
563.17877	9.4
587.25122	8.5
605.25958	100.0
606.26160	2.0
623.26953	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12278	1.4
57.04729	1.4
66.92451	1.3
87.62845	1.4
96.89675	1.6
103.80833	1.3
146.36374	1.8
188.43724	1.7
288.34824	1.6
323.10956	100.0
568.21826	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83481	0.6
61.02856	0.8
61.53215	0.6
61.79948	0.5
62.43367	0.6
62.48454	0.7
67.05503	1.1
68.09489	0.7
69.03421	4.0
69.07030	0.8
72.01373	0.7
72.08136	0.9
77.03915	0.8
79.05473	5.3
81.03396	1.8
81.07050	1.6
85.02896	3.0
86.06071	1.3
91.05471	3.4
92.08585	0.7
93.07011	1.3
94.06570	1.4
95.04944	1.6
96.08111	1.0
97.02924	1.3
97.06518	1.9
101.11753	0.7
105.07041	1.5
107.04945	17.8
107.08565	1.9
108.08111	1.5
109.02838	0.8
109.06521	4.8
110.06074	1.4
111.17818	0.7
117.07024	0.8
118.08634	0.7
119.04922	1.3
120.08043	0.8
121.06390	0.8
122.06023	5.3
122.09658	0.8
123.41746	0.7
124.07580	4.2
125.05981	1.3
126.05462	0.8
131.04958	1.1
134.06030	1.5
135.04471	0.9
135.08061	4.6
136.07591	5.9
137.05963	4.9
138.09094	1.7
140.07027	0.9
147.04391	1.3
148.07570	1.3
149.05902	1.2
151.03857	1.2
152.07045	1.8
154.08635	4.5
160.07571	1.0
161.05946	1.2
163.07526	1.9
164.06985	6.6
173.07130	0.9
178.08568	1.6
179.06987	1.1
181.08647	1.6
185.07098	9.5
186.07915	5.5
199.08612	3.5
200.09479	3.7
201.10242	11.6
202.08873	0.9
203.08119	4.3
204.06570	0.9
206.08076	1.0
211.08698	1.4
212.09407	0.8
213.10194	0.8
215.11795	3.1
217.09738	3.1
219.11365	1.0
225.10260	1.8
227.08183	1.2
227.11774	1.1
228.08948	1.1
235.10789	1.4
239.76041	0.9
241.09749	1.3
243.11324	1.8
244.08331	13.1
245.09148	100.0
246.09528	1.0
256.08499	1.2
257.39194	0.9
259.10751	13.0
261.08755	5.3
262.09525	3.5
263.10275	4.9
269.09152	4.0
270.09857	1.0
271.10699	19.8
272.11462	1.8
275.13821	3.1
276.66016	0.8
284.11658	1.7
285.12137	8.4
287.10098	7.4
297.08661	1.2
301.11850	4.1
305.11359	4.6
311.10312	1.3
315.09692	52.4
315.12988	3.2
316.10321	1.8
329.11282	1.1
333.10977	1.0
377.14539	0.9
379.15918	0.9
397.17871	1.4
406.17145	1.3
412.15231	2.6
413.13303	4.1
421.13724	1.1
422.16998	1.7
423.15427	22.8
425.16983	7.9
438.16504	4.8
440.18188	1.8
442.19638	3.5
450.16489	1.2
451.15103	3.0
460.20798	2.9
468.17606	23.7
486.11505	1.9
486.18588	59.7
604.06171	0.9
605.25647	9.0
623.27002	84.4
624.27557	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	622.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	3.1
54.36950	2.3
55.01858	7.1
55.05504	25.8
56.27903	3.3
57.07067	24.7
65.86219	3.2
67.05495	41.5
69.03404	3.4
69.07043	22.3
75.72560	3.3
79.05470	31.7
81.03403	19.7
81.07034	47.1
83.04988	12.3
83.08615	5.7
85.01454	2.5
85.10172	58.3
91.05461	32.7
92.09399	10.5
93.07028	35.0
95.04945	18.1
95.08578	39.6
97.10111	4.9
105.07035	22.5
107.04936	25.6
107.08575	15.6
109.06534	4.3
109.10115	14.0
113.09631	47.3
119.08568	13.9
121.10169	5.9
129.06987	4.2
131.08539	6.3
133.10112	19.3
135.11670	5.1
145.10110	6.7
147.11662	13.9
149.09599	16.5
151.11185	7.3
161.13220	3.3
163.11133	6.3
165.12735	70.4
175.11156	12.5
238.37595	3.5
259.20483	5.3
275.20078	17.0
277.21570	62.8
293.21124	6.0
295.22635	100.0
345.36719	3.3
434.39133	3.3
545.25446	3.9
623.28314	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	622.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
54.81337	2.2
55.01852	9.4
55.05503	32.3
55.09143	1.6
56.65138	1.6
57.03415	2.8
57.07067	21.2
57.90089	1.8
67.05149	2.5
67.05495	47.7
69.07059	21.1
71.04977	3.3
71.63116	1.8
79.05479	36.1
81.03392	13.9
81.07035	49.7
82.75170	2.2
83.04956	12.4
83.08605	27.9
85.06544	2.2
85.10165	42.4
91.05463	43.9
93.07021	41.2
95.04956	38.8
95.08578	34.0
97.06504	9.2
97.10138	4.8
99.08022	2.5
99.18509	1.8
101.14069	1.9
105.07010	37.2
107.04958	21.5
107.08589	30.4
109.06506	7.8
109.10140	14.2
111.08057	3.7
113.09645	32.8
117.07001	11.2
119.08555	24.8
121.06477	2.1
121.10117	16.4
123.08009	7.9
125.09618	2.3
129.06981	4.0
131.08563	14.5
133.10118	25.6
135.08060	3.7
135.11652	7.7
137.16391	2.7
141.74063	2.0
143.08554	3.3
145.10089	16.4
147.08047	2.6
147.11690	15.9
149.09608	38.7
151.11172	4.2
159.11641	4.2
161.13290	3.0
163.11110	22.2
165.12712	61.4
173.09552	4.4
175.11096	4.4
175.14798	2.5
179.14330	8.2
193.12279	2.6
207.13840	2.0
223.13290	14.6
251.57094	1.9
257.18976	7.2
259.20618	4.3
275.20001	47.2
277.21564	46.1
293.21094	42.7
295.22620	100.0
591.26062	2.4
623.28424	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	622.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51076	1.9
53.03930	4.7
53.95017	2.4
55.01870	30.8
55.05508	87.2
57.07066	11.8
64.32816	3.1
65.03946	2.8
66.42075	2.4
67.05495	76.1
69.03430	3.9
69.07059	29.3
71.04975	6.8
71.71500	3.1
79.05478	85.9
81.03383	5.8
81.07038	100.0
83.04983	23.7
83.08611	43.2
85.02885	3.4
91.05466	59.4
93.07025	76.6
95.04951	88.5
95.08589	52.0
97.06528	11.5
97.10164	55.4
105.07014	63.8
106.07350	3.3
107.04932	19.1
107.08582	53.4
109.06521	18.6
109.10155	20.9
111.04428	13.6
111.08057	13.6
117.06977	29.7
119.08553	47.7
121.06506	11.6
121.10104	25.9
123.08058	15.8
125.09608	28.4
129.06978	10.8
129.41422	2.7
131.08556	31.6
133.10101	34.5
135.08049	11.6
135.11697	17.5
143.08600	5.7
145.10120	32.1
147.07990	20.6
147.11693	20.3
149.09596	22.7
149.13261	5.2
151.11089	2.9
153.09120	14.6
153.12778	3.2
155.08586	3.3
157.10136	12.4
159.08060	5.0
159.11688	18.2
161.09592	6.3
161.13261	6.4
163.11189	29.2
165.09169	4.1
169.10121	6.9
171.11682	4.4
175.14796	3.6
177.12740	4.9
181.12222	3.7
183.11736	4.2
189.11261	15.2
221.18117	2.6
221.29303	3.0
223.13226	21.3
227.12845	3.0
236.18825	3.5
243.21094	3.1
249.14696	2.7
259.20627	11.0
261.22012	4.5
261.56619	2.6
273.18445	17.5
275.20010	26.2
276.20444	3.9
277.21576	13.9
291.19504	53.8
293.21027	54.5
294.21481	4.9
295.22400	5.2
397.30835	3.4
415.31870	5.8
551.40826	12.6
556.70551	3.1
569.41876	14.8
589.01440	3.2
623.38190	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	622.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37931	0.7
52.57377	0.8
52.74265	0.8
53.00304	1.1
53.03938	1.8
55.01862	3.9
55.05506	17.7
57.07067	18.3
58.99899	0.7
64.33274	0.9
64.89683	0.7
66.61080	0.8
67.05494	26.6
69.07051	14.0
71.04974	2.1
71.08625	1.8
79.05478	21.6
81.03400	12.5
81.07040	38.2
81.30249	0.8
83.04969	9.2
83.08600	9.5
85.06531	1.4
85.10168	37.9
85.70023	0.9
89.09103	0.9
91.05457	21.9
93.07026	23.7
95.04944	17.6
95.08582	26.1
97.06503	5.7
97.10140	4.5
99.08090	1.7
105.07014	16.5
107.04949	17.5
107.08575	13.1
109.06490	7.7
109.10136	7.7
111.08071	0.9
113.09629	30.7
117.06984	4.9
119.08557	12.2
121.06512	1.5
121.10103	9.5
123.08039	5.5
123.11678	2.0
125.09629	1.5
129.06972	4.9
131.08527	5.3
133.10080	8.1
135.07996	1.5
135.11684	4.7
145.10092	5.6
147.11638	11.9
149.09598	12.2
149.13229	1.9
151.11157	5.8
157.10081	2.0
159.11644	1.3
161.13261	2.2
163.11145	8.0
165.12714	51.7
171.11612	1.5
175.11145	5.3
175.14720	1.5
179.14224	3.3
184.40369	1.1
209.92741	1.0
229.19482	1.2
231.21283	1.0
241.19432	1.3
257.18982	1.1
259.20505	4.6
275.20004	17.5
277.21573	43.7
291.74185	1.2
293.18213	1.0
293.21017	8.6
295.22623	100.0
338.12244	1.0
373.83774	1.1
403.15982	1.1
607.83197	1.1
623.28174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	2.9
53.03926	5.2
53.45795	2.4
54.80980	3.2
55.01855	26.8
55.05504	70.2
57.03413	3.0
57.07059	18.9
57.49487	2.6
62.30293	2.7
67.05486	71.9
69.03398	3.1
69.07055	42.9
71.04976	5.7
71.08597	7.7
79.05472	71.0
81.03404	25.9
81.07031	100.0
83.04944	17.6
83.08617	38.2
85.10173	32.5
91.05465	67.9
93.07024	72.6
95.04958	57.9
95.08594	58.2
97.06498	14.8
97.10140	20.8
99.08052	3.2
104.75784	3.7
105.07013	75.6
107.04946	27.4
107.08578	46.1
109.06514	17.1
109.10122	17.3
111.04429	3.8
111.08062	16.9
113.09625	35.3
117.06967	20.4
119.08555	38.1
121.06487	4.1
121.10123	27.8
123.08041	13.1
123.11714	3.9
125.09578	6.6
129.06995	3.8
131.08537	26.4
133.10130	27.7
135.08051	5.1
135.11647	15.5
137.09625	4.3
143.08591	7.4
145.10129	28.8
147.11646	28.0
149.09583	46.9
149.13228	8.1
151.11145	20.9
157.10098	3.2
159.11646	16.5
161.09558	5.8
161.13197	14.4
163.11157	31.8
165.12714	47.8
166.25781	3.2
175.11156	5.9
183.11597	4.5
223.13239	15.0
231.59343	3.1
257.18839	12.6
259.20392	6.8
261.82117	3.4
275.20023	70.5
276.20499	4.4
277.21530	78.8
293.21033	40.6
295.22592	96.7
408.89066	3.9
453.33234	3.9
454.18716	3.9
476.63681	3.7
622.27661	11.3
623.39063	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	621.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33791	0.3
70.81877	0.2
79.05462	0.4
82.25842	0.3
83.31346	0.3
91.05419	0.6
93.06979	0.7
94.06533	0.5
95.07339	0.4
97.02812	0.4
105.06985	0.6
110.09663	3.1
119.08539	0.3
122.09600	0.4
133.06487	0.3
136.07559	0.3
137.05971	3.3
138.06287	0.6
138.09079	1.6
164.07013	0.7
165.09023	0.6
166.08582	1.8
180.04433	0.4
185.10646	0.6
192.26698	0.3
199.12273	3.7
200.13013	4.3
213.13774	0.4
218.10484	1.4
225.10175	0.4
226.10997	0.6
228.30959	0.3
241.13309	9.8
242.13452	1.2
243.11234	1.2
253.46956	0.3
258.13583	3.7
259.14362	100.0
260.14694	14.6
261.14935	3.3
264.11194	0.3
285.12225	4.0
286.12503	0.6
320.17419	0.4
350.14990	0.5
351.15677	0.5
364.16577	0.8
365.17545	0.7
366.17978	1.5
367.18884	0.4
380.19611	7.1
381.19910	1.8
382.21185	51.7
383.21506	7.3
384.21738	5.2
406.17603	1.4
408.19055	1.9
425.19629	1.4
426.20145	20.6
427.20477	2.9
428.20758	3.4
452.18066	1.6
456.21179	22.5
457.21545	3.8
458.21906	3.0
482.18918	4.2
483.19446	0.6
520.83234	0.3
524.46881	0.3
583.49390	0.4
590.26782	0.4
591.27979	4.2
620.28131	2.0
621.28931	31.8
622.29211	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25507	0.3
55.05496	0.3
57.22874	0.3
57.93769	0.3
62.96395	0.3
67.05450	0.4
79.05443	0.4
91.05437	0.6
92.08691	0.8
93.07025	0.6
110.09653	3.7
119.08553	0.4
122.09623	0.6
136.07562	0.5
137.05891	0.7
138.09096	1.7
139.50307	0.4
140.84550	0.4
146.10381	0.4
156.49628	0.4
164.07033	0.7
166.08624	3.8
185.10742	0.7
198.11316	0.5
199.12254	3.9
200.13071	3.3
216.08730	0.4
226.10912	1.0
241.13268	9.6
243.11365	0.6
245.12772	0.9
257.12704	0.6
258.13507	4.4
259.14365	100.0
260.14706	3.5
271.10605	0.5
285.12241	6.3
289.11578	1.5
320.17633	0.6
365.17331	2.1
366.18280	0.6
380.19601	8.7
381.20227	0.9
382.21182	58.4
383.21494	1.8
406.17477	0.8
408.19199	2.8
425.19400	0.6
426.20142	24.6
427.20361	0.6
428.21625	2.9
432.96875	0.4
452.18250	1.9
456.21213	23.4
464.16425	0.5
482.19498	3.4
591.28113	6.0
621.29041	30.3
622.29321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01863	5.8
55.05487	1.2
55.55894	0.6
63.59025	0.7
67.05482	12.1
69.03423	0.9
69.07037	1.4
71.04964	1.4
79.05463	4.8
81.03398	1.0
81.07027	7.1
83.04956	13.8
83.08600	3.0
85.02877	3.9
85.06528	1.7
91.05463	6.6
93.07015	8.7
95.04930	3.5
95.08569	3.2
97.06496	4.1
99.04404	1.6
99.08022	1.1
105.07004	3.0
107.04939	2.9
107.08546	6.8
109.06484	1.4
109.10124	9.3
111.04416	43.1
111.08061	14.0
119.04922	3.3
119.08515	3.4
121.02862	0.9
121.06478	1.0
121.10132	7.7
125.09576	0.9
127.03900	1.5
129.06979	1.7
131.08537	4.6
133.10036	0.9
135.08009	3.0
135.11644	9.8
137.05933	18.0
137.06903	0.9
145.06430	1.1
145.10107	9.1
147.04408	1.1
147.11674	3.7
149.05954	1.2
149.09575	3.4
149.12656	0.8
151.07510	14.7
153.12694	16.5
155.08459	1.0
160.54816	0.8
161.05887	0.9
163.07523	3.2
163.11134	28.5
163.41824	0.9
165.09131	1.0
167.08505	1.4
173.09567	8.3
175.07457	0.9
178.07620	0.8
181.12170	34.4
181.13647	1.5
189.09108	3.1
191.10628	44.7
193.06424	1.0
195.08009	4.5
209.11656	12.5
219.10046	1.0
221.05870	1.4
221.09552	3.7
227.10645	7.2
227.12714	100.0
245.13768	16.5
249.94716	0.8
253.08499	3.8
253.12108	1.0
255.10046	4.6
262.16400	5.4
266.09344	0.9
272.10062	1.0
281.11703	0.9
285.11176	3.3
287.12610	4.9
303.81390	0.9
313.14218	5.3
331.15298	17.0
386.85269	0.8
434.16855	1.0
554.43982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05502	8.6
59.71755	1.8
61.26353	1.9
62.41606	2.5
67.05482	3.0
69.07053	2.4
81.07041	4.4
87.34985	2.3
91.05507	3.3
93.07050	2.8
95.08556	2.7
107.08576	2.3
108.08795	2.1
131.47374	2.2
189.07169	2.3
222.48521	2.3
233.40588	2.7
253.33742	2.4
388.16547	2.9
403.19055	4.6
404.20016	3.0
417.21222	3.1
418.21664	2.8
419.22137	4.2
430.17130	2.7
431.18146	3.4
445.20715	3.2
447.21555	9.1
459.17993	2.4
473.18976	2.9
474.20389	9.8
475.21417	16.0
487.21091	4.7
501.22803	3.0
533.25250	8.6
561.24884	45.2
621.27020	100.0
625.79614	2.6
632.66406	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	621.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97235	0.3
66.40199	0.3
67.05476	1.3
71.17175	0.3
79.05440	0.6
83.05011	0.4
88.83060	0.3
91.05447	0.6
91.17968	0.3
92.09301	0.6
93.06998	1.5
94.06533	1.5
95.08579	0.4
96.35241	0.3
105.07012	0.4
108.08098	0.6
110.09653	1.4
120.08076	2.6
121.06445	0.4
121.10133	1.3
122.06025	1.9
122.09617	0.4
123.06802	4.3
123.08062	3.0
124.07574	2.9
125.31942	0.3
129.06976	0.3
133.27286	0.4
136.07529	1.9
136.11253	0.3
137.05960	0.6
138.09113	100.0
139.09457	0.6
147.07973	0.4
164.10645	6.5
174.09076	0.8
176.10641	0.4
180.90257	0.3
183.09186	0.4
185.07039	6.3
185.10712	0.8
186.07764	2.4
192.10182	1.7
199.08652	2.3
199.12265	0.4
200.09409	2.2
201.10193	5.1
204.10170	1.9
209.72047	0.3
211.08600	5.4
212.09410	4.2
214.11011	0.8
215.11765	2.1
217.09735	0.4
218.10405	0.4
219.11224	0.7
225.10179	2.2
227.11740	5.9
229.09683	1.2
229.13379	1.5
229.77310	0.4
241.13390	0.4
243.11172	0.6
244.08356	11.2
245.09158	50.1
246.09593	0.7
255.11256	0.5
256.08493	0.7
257.09125	3.7
258.09897	0.4
259.10712	12.6
261.08707	1.4
262.09448	1.8
263.10205	0.8
269.09183	1.8
271.10706	41.2
272.11343	0.5
273.08966	0.6
273.12216	8.1
284.11511	3.2
285.12271	6.1
287.10220	2.9
289.11713	0.5
291.13364	0.6
297.08701	2.2
299.10202	9.2
315.09683	51.8
316.10104	0.8
317.11237	24.3
345.14667	0.3
392.19473	0.4
406.17358	0.4
408.19080	2.2
410.20740	0.5
418.17514	3.1
436.18604	15.6
439.18375	0.7
452.17984	0.4
454.19623	77.6
455.19839	2.3
484.20749	6.5
573.26892	2.1
591.28009	61.7
592.28467	2.7
621.29059	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	621.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92115	0.3
69.07039	0.4
75.84079	0.4
75.89640	0.3
78.45227	0.4
81.05775	0.3
96.08041	2.2
103.89162	0.3
106.06475	0.5
110.05973	0.4
124.07574	9.4
138.09117	7.4
166.08513	0.4
178.07300	0.4
199.12195	0.7
211.08620	0.4
213.13748	1.5
225.10155	3.6
226.10905	2.6
227.11644	1.3
239.11697	0.5
240.12442	0.5
241.13342	8.1
242.11725	0.4
244.08360	0.4
245.09164	2.5
258.13522	0.5
259.10834	0.5
259.11365	0.6
259.14349	6.3
263.10553	0.6
269.09210	0.6
270.10046	0.5
271.10657	1.5
284.11481	2.3
285.12283	44.4
286.12405	0.5
292.14371	0.6
301.15335	0.3
304.14438	0.4
305.15137	0.4
306.15683	0.4
310.11960	2.3
315.09686	3.1
317.11398	0.7
318.12372	0.6
318.15961	1.2
319.16864	2.8
320.17484	1.6
321.18521	0.5
322.11847	1.7
322.19092	1.3
332.14005	0.8
333.14642	1.2
334.18802	2.8
336.13278	1.4
346.15421	2.4
347.16443	2.7
348.13281	1.4
348.17126	0.7
349.15076	0.5
350.14920	0.6
352.20102	0.7
360.16824	0.7
361.13974	0.6
362.11472	2.9
362.14880	0.4
362.18549	10.0
363.16788	2.1
364.16440	1.7
364.20264	1.4
365.17688	0.7
365.27692	0.3
376.12753	2.9
376.20074	1.4
377.13678	0.8
378.18076	14.7
380.19577	14.8
382.21317	1.3
388.16534	0.7
390.14301	1.9
390.18173	2.2
391.15289	5.0
392.15668	0.7
399.01450	0.4
402.18140	0.6
406.17532	72.2
407.18219	2.4
408.19128	16.3
409.19070	0.6
422.20505	2.4
424.22305	0.5
426.20059	4.8
436.18460	0.7
451.17258	0.5
452.18076	61.4
453.18420	2.2
454.19687	3.2
482.19141	3.6
520.22308	0.4
545.27563	4.0
591.28021	27.5
592.28601	0.7
621.29083	100.0
622.29193	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	622.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52344	2.2
53.03939	21.2
55.01867	30.4
55.05508	28.0
57.03405	3.5
57.07055	3.1
61.02903	3.0
66.37539	2.0
67.04050	2.1
67.05493	85.3
69.03413	60.2
69.07056	31.3
71.01319	2.8
71.04974	16.1
73.02895	10.7
79.05465	23.2
81.03399	56.0
81.07040	87.0
83.08594	17.4
83.78286	2.7
85.02888	26.4
91.05454	16.8
93.07015	26.7
95.08583	59.6
97.02870	61.3
97.06511	6.4
97.10138	6.3
99.04434	100.0
101.02324	4.6
105.06999	5.1
107.08565	15.7
109.02867	47.6
109.10144	22.0
119.08572	10.4
121.10111	11.8
123.11646	10.4
127.03890	94.1
133.10124	14.5
135.11688	6.7
145.04948	12.5
147.11673	4.8
149.13210	3.8
161.13252	2.9
175.14880	2.7
201.46057	2.9
245.22491	3.6
263.23566	21.9
269.04773	3.8
298.02740	3.5
353.24634	4.1
358.57074	2.7
371.25644	12.7
389.26611	3.8
407.27887	24.8
425.28839	53.8
554.33502	2.7
592.73462	2.9
607.23114	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	621.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46608	0.5
55.05506	0.8
56.06184	0.5
58.04819	0.5
63.09376	0.5
67.05490	2.0
69.07067	0.6
79.05479	1.0
80.87112	0.6
81.07043	2.2
83.08595	0.6
93.07040	1.1
105.07037	1.2
107.04915	0.7
119.08584	1.0
233.10741	0.7
263.11816	0.9
285.12708	0.7
293.21078	2.5
314.60306	0.6
375.16040	2.9
388.16937	0.6
389.17511	5.4
390.18524	2.5
401.17862	1.0
402.14081	0.8
402.18665	1.1
402.82355	0.6
403.19208	9.6
404.19977	4.9
405.20715	1.4
416.16180	3.0
417.16943	6.4
417.21039	5.1
418.17474	0.9
419.22281	12.7
430.17807	2.7
431.17856	10.8
431.23315	2.3
432.18851	3.9
433.20172	2.3
444.19553	1.2
445.20041	12.1
446.20792	6.2
447.21707	15.1
448.22394	1.0
459.17212	2.3
459.21976	4.0
460.18466	1.0
461.19742	0.9
473.18994	1.0
474.20331	12.8
475.21121	19.3
487.21103	6.1
488.21991	0.9
501.22690	3.3
505.26041	1.2
517.21887	0.7
520.24896	0.8
529.22479	1.3
533.25537	15.9
546.22308	1.1
561.24884	83.6
562.24976	1.4
593.27417	2.8
621.26947	100.0
622.27094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.40384	0.3
51.26679	0.3
52.74000	0.3
53.44617	0.3
55.05507	0.7
56.97170	0.3
67.05496	0.5
67.50563	0.4
79.05476	0.6
84.17545	0.3
85.65047	0.4
91.05482	0.4
95.04980	0.6
119.08648	0.6
152.65689	0.4
163.43221	0.3
164.11366	0.3
221.10811	0.5
249.10336	0.4
275.20090	0.7
293.21271	0.4
354.58630	0.4
373.14282	0.7
375.16144	0.6
387.16159	0.4
388.16962	2.0
389.17673	3.2
390.18518	2.5
391.19223	1.6
401.17902	0.7
402.14166	0.6
402.18710	0.6
403.14832	0.4
403.19278	5.6
404.20322	3.0
405.20758	2.9
416.15814	0.6
416.20499	0.7
417.16916	3.9
417.21027	3.2
418.17212	0.8
418.22037	0.9
419.22269	9.2
420.22870	0.8
430.17838	1.9
431.18024	8.7
432.19113	4.2
433.19876	3.5
444.19165	0.5
445.20187	6.6
446.20874	8.2
447.21677	11.2
448.22891	0.5
459.17307	0.7
459.21896	2.3
460.18204	0.6
461.19724	1.6
473.19287	1.3
474.20261	7.3
475.21152	9.3
487.21313	4.5
491.20447	1.3
501.22760	1.7
505.26349	0.6
518.22076	0.5
519.20166	0.6
533.25403	20.0
546.22589	1.6
561.24860	22.3
562.25226	0.6
589.23987	0.6
593.27582	4.1
621.26971	100.0
622.26874	1.0
636.01556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01900	0.6
53.84928	0.5
58.08395	0.5
59.20699	0.7
64.33508	0.6
71.04928	0.8
85.02882	0.8
91.05450	1.1
92.08639	0.6
93.06998	0.8
105.07071	0.6
108.08119	0.9
113.68482	0.6
122.05994	1.2
124.07531	0.8
125.74119	0.6
130.04199	0.6
136.06638	0.7
136.07512	4.6
137.05940	2.4
141.45607	0.6
151.03865	1.0
164.07033	2.5
179.98447	0.6
225.10416	0.6
241.13458	0.7
244.08414	0.7
259.14420	3.9
261.08740	1.0
269.09033	0.9
285.08868	1.0
285.12387	3.0
288.11331	5.1
289.11908	0.8
291.17142	0.8
293.11389	1.2
303.09842	1.5
303.13553	2.7
305.11563	2.9
308.13922	1.0
310.11813	1.5
317.15253	2.9
319.16574	0.7
320.13889	1.1
321.14700	0.7
323.16348	0.9
326.11307	11.1
332.17676	2.2
333.84348	0.7
336.13342	0.9
336.16891	2.2
337.14078	1.0
337.17831	3.5
338.15094	1.7
338.18436	1.8
343.13437	0.9
347.12363	4.3
348.13156	2.5
350.14984	3.4
350.18686	2.2
352.12833	21.5
360.13535	1.4
361.14340	1.1
362.14966	1.5
364.12845	21.4
364.16678	5.3
365.17212	5.2
366.14166	1.0
366.18115	4.0
368.12265	2.5
368.19580	1.3
376.16498	13.1
377.13553	1.0
378.18124	2.7
380.12268	1.5
382.13864	12.9
389.13464	0.8
390.14478	3.1
392.11929	1.5
392.16342	1.2
393.13077	2.4
394.17651	4.3
396.19083	37.0
399.10834	1.4
402.14517	3.0
404.16019	0.9
407.17685	2.0
409.12094	1.2
412.18546	1.1
420.15475	16.5
422.17041	3.9
427.13736	1.1
437.12225	1.0
438.16510	41.9
440.18216	4.1
442.19598	68.1
443.19907	1.3
448.14938	0.8
452.17792	0.7
455.13272	3.7
466.15903	2.9
468.17502	4.2
469.14682	3.6
484.17053	49.5
500.23822	0.7
603.24243	1.4
620.27765	3.1
621.25415	100.0
622.25781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
53.70304	3.3
55.01868	20.5
55.05509	96.9
57.03436	5.8
57.07066	17.4
67.05507	67.2
69.03448	6.3
69.07053	25.7
71.04980	5.6
79.05478	77.1
81.03413	18.0
81.07044	100.0
83.04977	23.1
83.08622	41.3
85.10174	24.6
91.05471	73.3
92.64042	4.4
93.07027	56.2
95.04955	70.9
95.08595	49.2
97.06528	13.5
97.10155	40.5
105.07005	52.6
107.04949	44.1
107.08566	47.0
109.06516	22.8
109.10154	19.6
111.04408	13.7
111.08102	17.1
113.09644	18.1
115.05421	4.7
117.07010	33.3
119.08560	51.3
119.09994	3.7
121.06493	15.1
121.09354	3.7
121.10096	28.5
123.08045	16.6
125.09644	19.7
129.06976	14.2
131.08545	32.6
133.06471	6.5
133.10143	21.3
135.08044	7.7
135.11687	9.0
137.09587	8.6
143.08566	16.1
145.06458	3.5
145.10110	34.3
147.08060	25.3
147.11661	7.5
149.09598	29.4
149.49675	3.5
151.11172	6.0
153.09045	7.3
153.12782	4.7
157.10150	6.7
159.11720	15.2
161.09615	8.6
161.13206	5.1
163.11139	39.5
165.12755	50.7
169.10155	5.0
171.11682	5.8
173.09662	9.2
175.11122	8.5
177.12666	4.5
185.13161	5.4
189.11261	15.7
223.13312	8.5
246.86526	4.0
255.17397	5.6
257.18973	5.2
273.18491	32.8
275.20029	53.6
277.21609	29.3
291.19476	75.4
293.21045	68.6
293.23880	6.0
295.22827	19.8
410.28903	3.5
567.40710	4.5
585.41266	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	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75347	1.8
53.03926	3.2
55.01866	9.1
55.05508	50.0
57.07058	2.0
61.00638	2.0
64.57886	1.9
66.75896	2.0
67.05492	48.3
69.03421	3.8
69.07060	23.6
69.83891	1.8
79.05482	43.2
81.03388	17.5
81.07037	43.8
83.04973	9.3
83.08598	41.7
91.05467	43.8
93.07027	43.9
95.04958	41.2
95.08593	29.1
97.06524	4.1
97.10152	22.5
105.07019	50.2
106.58502	2.4
107.04946	29.0
107.08581	34.0
109.06533	4.5
109.10137	13.1
111.08089	2.9
112.68361	2.2
117.06998	17.7
119.08581	33.8
121.06500	5.0
121.10125	19.9
123.08062	3.6
125.09628	14.6
129.07028	8.9
131.08578	28.5
133.10114	35.0
134.05934	2.0
135.08041	5.2
135.11673	10.0
137.09564	4.2
143.08568	5.4
145.06470	3.3
145.10129	30.4
147.08029	4.1
147.11690	10.1
149.09631	27.6
155.08496	4.1
157.10117	2.2
159.11639	16.9
161.13242	3.2
163.11145	30.9
169.10103	5.3
171.11708	3.8
173.09607	2.0
173.13283	5.1
183.11687	3.7
184.07387	5.1
189.11182	5.3
197.13077	2.6
223.13219	14.8
239.17850	7.9
257.19034	11.9
275.19992	100.0
275.22891	3.9
293.21072	59.1
325.67697	2.4
620.43567	4.0
621.34033	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	620.452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71348	3.6
53.03942	5.8
53.33103	3.3
55.01864	17.3
55.05505	70.2
57.03437	6.0
57.07038	5.2
58.99433	4.0
67.05495	71.2
69.03404	5.2
69.07050	25.8
73.09002	3.4
74.82082	4.0
79.05477	88.2
81.03403	5.3
81.07044	100.0
81.55445	3.8
83.04965	22.9
83.08616	39.5
83.31300	4.0
91.05458	69.3
93.07017	67.8
95.04945	70.2
95.08578	43.4
97.06555	8.7
97.10150	44.3
100.94917	3.9
103.99114	3.9
105.07027	81.0
107.04951	10.3
107.08585	54.5
109.06506	5.5
109.10141	17.6
111.04439	9.0
111.08067	8.5
116.14021	3.9
117.06998	24.4
119.08554	64.2
121.06481	15.6
121.10129	22.4
123.08064	22.0
125.09598	29.1
129.06979	15.1
131.08542	45.5
133.06416	5.6
133.10152	36.0
135.08015	9.7
135.11664	20.8
136.06178	40.2
137.09544	4.0
143.08549	18.7
145.06435	5.0
145.10110	38.4
147.08017	20.0
147.11670	20.7
149.09624	19.1
149.13188	5.9
157.10127	16.8
159.08012	4.3
159.11676	18.3
161.13239	6.8
163.11201	34.2
165.09125	8.0
171.11711	17.4
173.09557	4.9
173.13251	5.7
181.12222	4.6
185.13158	5.8
187.11201	6.1
189.11212	18.4
223.13272	20.8
227.12682	4.3
259.20529	28.3
273.18579	16.3
273.22794	4.3
275.19897	36.3
291.19479	70.0
293.21057	19.0
471.60254	4.5
494.90985	4.3
567.40106	18.8
579.26929	6.0
602.51581	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	620.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.5
53.03938	8.2
55.01869	18.4
55.05507	66.6
56.41584	1.2
56.70311	1.4
57.03422	8.0
57.07069	28.6
57.42392	1.5
60.33286	1.3
65.03938	2.3
67.05496	100.0
69.03421	3.4
69.07057	36.2
71.04969	7.7
71.08617	2.6
76.56770	1.9
79.05475	73.3
81.03397	36.4
81.07042	97.7
83.04974	23.1
83.08607	46.9
83.23339	1.5
85.02892	2.6
85.06527	8.5
85.10170	47.6
87.18562	1.6
91.05463	84.9
93.07027	74.9
95.04951	75.2
95.08592	61.7
97.06503	11.2
97.10147	10.0
99.08070	3.5
105.07017	89.5
107.04947	36.8
107.08585	50.6
109.06525	15.3
109.10149	52.3
111.08077	9.4
113.09635	34.8
117.07008	25.4
119.08567	47.2
121.06483	14.0
121.10122	32.4
123.08018	14.4
123.11638	12.8
125.09624	10.1
127.07520	2.3
129.06999	14.1
131.04942	1.9
131.08545	30.5
133.06467	4.0
133.10103	57.0
135.08043	9.8
135.11678	18.3
137.09595	9.3
141.06975	2.0
143.08559	10.9
145.06451	6.3
145.10126	32.3
147.07999	2.9
147.11670	19.9
149.09596	53.0
149.13184	3.0
151.11174	28.8
155.08514	3.9
157.10104	7.2
158.07320	1.8
159.11678	12.4
161.09561	3.3
161.13249	3.4
163.11162	50.5
165.12737	60.8
169.10132	3.2
169.12216	3.8
171.11685	3.1
172.64354	1.6
173.09622	7.4
173.13289	3.0
175.11180	12.6
177.12723	2.8
179.14243	2.3
179.39676	1.8
181.12173	2.5
183.11708	2.5
189.11137	3.9
191.10638	2.3
197.13298	2.5
205.12134	2.3
207.13713	2.2
211.14873	2.0
215.12759	3.1
223.13274	20.0
239.17912	3.9
247.20595	2.5
257.18887	8.2
259.20621	2.4
273.18323	3.4
275.20023	77.4
277.21582	50.7
291.19525	9.4
293.21082	82.1
294.21332	2.3
295.19611	2.5
295.22635	65.8
585.41998	2.9
620.42004	2.5
647.97009	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01865	12.1
55.05260	2.3
55.05505	32.3
57.03422	2.5
57.07078	2.3
58.94701	1.4
59.52719	1.4
65.03967	1.8
67.05498	34.9
69.03410	2.3
69.07059	16.9
69.20374	1.5
71.04965	2.2
79.05475	32.9
81.03394	9.1
81.07037	39.2
83.04971	13.9
83.08604	19.0
85.06493	1.7
85.10187	1.7
90.49401	1.5
90.63792	1.5
91.05460	21.4
93.07021	31.7
95.04953	62.7
95.08574	20.9
97.06509	2.9
97.10164	16.3
105.07007	29.2
107.04945	13.9
107.08582	26.3
109.06512	13.5
109.10124	9.3
111.08054	7.7
117.06999	9.9
119.08580	19.0
121.06474	10.1
121.10139	17.1
123.08038	8.8
123.11634	1.8
125.09602	10.2
126.12988	1.5
127.23896	1.7
129.07016	2.1
131.08531	15.8
133.06448	2.1
133.10129	17.3
135.08012	8.0
135.11658	7.9
137.09624	2.4
143.08488	6.7
145.10129	20.0
147.08090	2.5
147.11671	6.7
149.09630	13.0
151.11166	6.5
153.09079	8.5
154.64236	1.5
155.08524	2.4
157.10184	2.0
159.08063	2.9
159.11658	7.0
161.13214	2.1
163.11142	24.8
165.12753	3.4
169.10208	1.7
173.09576	2.2
173.13231	2.8
175.11160	1.8
177.12794	2.9
187.11063	2.3
187.35500	1.5
189.11177	7.7
201.40166	1.5
205.12122	2.5
223.13318	14.0
223.15341	1.8
229.19487	2.2
239.17664	2.2
247.20552	2.9
257.18997	6.0
261.62656	1.8
275.20016	55.8
276.20172	1.9
291.19547	2.2
293.21075	100.0
311.22046	3.3
567.40729	2.5
585.41309	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63330	1.3
53.03934	6.6
53.15660	1.7
54.81085	1.3
55.01868	14.4
55.05508	65.3
57.07070	2.4
61.39006	1.5
67.05495	51.5
69.03422	2.6
69.07056	25.7
71.04971	3.0
76.25741	1.6
79.05482	52.5
81.03415	18.6
81.07040	55.4
83.04984	12.0
83.08604	51.0
85.02940	1.6
85.06522	2.7
91.05469	45.9
92.08706	2.3
93.07025	53.5
93.07568	3.2
95.04951	94.3
95.08595	32.9
97.06522	9.2
97.10128	15.1
99.08047	1.5
105.07018	52.0
107.04938	28.2
107.08575	29.4
109.06512	11.2
109.10142	14.7
111.04467	2.6
111.08070	6.1
113.09599	1.7
117.07007	24.9
119.08554	36.1
121.06484	10.3
121.10118	27.0
123.08031	11.5
125.09615	10.2
129.07014	8.6
131.08534	24.1
133.06480	1.9
133.10115	31.3
135.08063	10.0
135.11667	12.0
135.26596	1.7
137.09612	3.5
141.06995	3.0
143.08572	7.4
145.06458	6.8
145.10104	42.1
147.08060	8.3
147.11676	17.9
149.09608	49.4
151.11163	6.0
155.08524	3.8
155.83739	1.7
157.10231	2.3
158.89349	1.8
159.11627	14.2
161.09598	3.3
161.13165	2.3
163.11145	48.7
165.12714	8.5
169.10051	3.4
171.11671	3.3
173.09612	11.6
173.13228	3.3
175.11201	3.9
177.12691	3.1
179.14229	1.7
183.11687	2.3
189.11165	11.3
197.13481	2.0
200.85754	2.1
205.12241	3.8
215.17911	2.4
223.13278	46.7
229.19551	6.9
239.17912	8.1
241.50731	1.6
247.20401	2.2
257.18982	15.1
275.17004	3.6
275.20010	100.0
275.22906	3.7
277.21783	2.3
293.21072	98.8
311.22241	7.2
339.30695	1.8
370.70737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.9
53.03941	13.3
55.01866	35.5
55.05503	19.8
57.03433	11.4
57.07063	4.5
61.02906	2.0
65.03936	2.4
67.01864	2.1
67.05492	76.3
69.03416	62.0
69.07062	16.6
71.04619	1.1
71.04974	21.5
73.02900	15.5
78.41779	1.1
79.05473	60.2
81.03400	71.3
81.07038	75.2
83.04951	4.7
83.08605	6.2
85.02895	27.2
91.05457	30.1
93.07023	61.4
95.04939	8.0
95.08588	58.4
95.09203	2.0
97.02266	2.6
97.02869	55.9
97.06509	2.1
97.10156	1.1
99.04435	96.4
101.02357	7.4
105.07021	21.9
107.08574	31.7
109.02144	2.1
109.02872	54.4
109.06486	1.7
109.10146	27.7
111.04427	10.0
111.08057	1.4
115.03909	1.4
117.07002	14.5
119.08563	16.3
121.10122	31.3
123.08013	1.1
123.11672	13.5
127.03896	100.0
129.05486	1.2
129.07057	1.6
131.08543	17.8
133.10107	15.0
135.11682	18.9
137.13200	1.9
143.08556	2.1
145.04939	15.6
145.10132	13.2
147.11635	8.8
149.09634	1.7
149.13249	11.2
151.14764	1.4
157.10187	2.2
159.11694	8.5
161.13272	8.2
163.14735	1.9
169.10094	1.4
171.11720	1.1
173.13179	8.3
175.14810	1.9
185.76740	1.3
187.14844	1.8
201.16345	1.7
211.53568	1.4
241.19495	1.5
243.21004	5.1
259.20547	6.4
261.22073	17.3
277.21582	10.2
279.23148	4.2
303.23199	1.4
315.22806	1.1
339.23001	1.5
341.24521	1.2
357.24277	4.8
369.24139	7.4
387.25293	7.8
405.26135	10.4
423.27341	67.5
482.63699	1.2
620.37457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93251	0.2
54.81349	0.2
58.99452	0.1
67.05477	0.4
69.03412	0.2
73.60431	0.2
81.06998	0.2
91.05418	1.1
93.06989	1.1
108.08070	0.8
110.06011	0.2
119.04928	0.8
122.06006	0.5
122.09668	1.8
136.07590	2.5
137.05922	0.3
146.06026	0.2
147.04385	0.3
159.09235	0.2
164.07037	4.2
185.10695	0.3
186.11432	0.3
199.12256	4.2
200.09572	0.2
200.13055	4.6
213.13747	0.3
218.10455	0.9
219.11253	0.3
225.10254	0.3
226.11028	0.3
241.13318	11.4
241.15758	0.5
243.11292	1.1
245.12817	0.4
258.13583	3.2
259.14374	100.0
260.14725	1.2
261.08688	0.4
285.12308	5.4
306.15927	0.3
320.17548	0.3
321.18222	0.8
336.17053	0.4
350.14941	1.0
352.20306	0.4
362.18747	0.3
364.16550	0.8
364.20392	0.3
365.17542	1.3
366.18140	1.0
377.14096	0.3
378.18079	0.4
380.19623	7.7
381.20444	0.3
382.21194	53.4
383.21390	1.3
406.17407	1.4
408.19199	2.3
424.18256	0.3
425.19427	1.9
426.20163	21.5
452.18097	1.9
456.21240	24.3
457.21954	0.3
482.19189	4.2
589.26489	4.3
601.26263	0.3
619.27533	23.4
620.27887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22243	0.7
53.17696	1.0
54.82125	0.9
55.05540	0.9
56.76317	0.7
56.96556	4.2
57.30141	0.8
60.08151	7.7
63.16243	0.8
64.33759	1.1
66.50449	1.0
67.05499	0.8
69.07043	1.4
71.07362	8.1
80.49497	0.9
85.74323	0.8
86.09167	1.1
86.09689	30.6
89.31071	0.8
89.81726	1.0
95.08610	0.9
102.46077	1.0
102.92593	1.9
104.10730	100.0
125.00003	1.8
136.47054	0.9
136.93140	1.0
149.21747	1.0
154.94136	6.7
172.95210	16.1
178.85397	0.9
180.95673	7.0
190.96213	10.6
198.96776	43.5
210.96817	1.9
216.97827	49.0
221.98523	1.5
228.97789	7.0
234.99010	1.2
254.99384	2.3
273.00613	1.2
321.20938	4.2
339.18051	1.3
339.21979	22.2
357.23068	1.7
445.20151	1.0
475.21191	7.6
501.22327	1.7
504.27319	7.5
560.30096	12.3
620.32190	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01862	26.8
55.05499	20.9
57.03421	19.4
57.07047	2.6
61.02911	3.1
63.93187	2.2
65.03941	2.8
67.05487	52.1
69.03072	4.0
69.03417	82.0
69.07059	17.7
71.04984	3.9
73.02900	5.5
79.05472	36.9
81.03413	31.3
81.07037	61.8
83.04983	9.7
83.08617	4.3
85.02890	100.0
85.03370	4.7
87.04457	2.2
91.05461	37.6
93.07022	51.6
95.04946	10.2
95.08585	36.0
97.02882	37.3
97.06560	4.2
99.04422	9.9
101.02354	10.2
105.07024	34.6
107.04955	4.6
107.08581	27.5
109.02868	13.2
109.06523	3.2
109.10134	19.3
111.04399	3.2
111.08079	2.5
117.05520	2.9
117.07001	15.3
119.08578	28.1
119.09344	3.4
121.06507	3.2
121.10150	15.4
121.96208	3.0
123.04377	2.9
123.11666	4.8
124.30643	2.4
127.03899	55.3
129.06979	5.2
130.87206	3.1
131.08551	25.6
133.06458	4.9
133.10094	20.4
135.11667	11.9
141.07002	3.0
143.08548	13.3
145.04944	18.6
145.10106	19.4
147.11697	10.1
149.09598	3.0
149.13293	5.3
155.08571	4.0
157.10078	4.2
159.08157	3.6
159.11693	12.1
161.13272	9.8
163.11224	2.9
169.10095	5.3
171.11691	4.9
173.09605	2.8
173.13280	5.8
180.08655	3.9
185.13205	3.6
197.13374	3.1
207.11635	2.9
225.57719	2.8
261.22180	3.8
283.01883	4.7
289.21765	2.4
303.23190	4.9
327.23318	3.2
341.24417	4.9
351.23102	10.3
369.24255	29.9
387.25226	27.2
405.26358	30.5
423.27277	12.0
450.24426	2.7
514.05792	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81277	0.4
97.48285	0.4
119.30849	0.5
122.05949	0.9
186.07906	0.5
199.12172	0.7
225.10146	7.2
226.10962	7.2
239.11739	0.6
241.13335	8.2
259.14380	0.9
269.09158	1.8
279.11130	0.4
284.11615	4.0
285.12280	100.0
310.11874	2.0
318.12396	0.5
318.16299	0.6
319.16730	2.4
320.17969	0.5
322.11810	1.0
332.13885	0.6
336.13345	1.6
346.15485	0.6
347.16333	0.9
348.13364	0.9
350.14783	0.7
362.11383	2.0
362.15128	0.9
376.12802	6.0
377.13623	3.1
378.18057	10.0
380.19736	0.5
390.14343	2.1
390.18680	0.5
391.15128	4.6
392.16138	0.5
404.16031	0.4
406.17535	41.2
407.18124	0.9
408.19116	33.0
436.18619	0.7
451.17383	2.3
452.18069	39.5
453.18442	0.7
482.19101	21.0
589.26495	6.1
619.27533	53.0
620.27460	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	619.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05461	0.3
77.87649	0.2
89.54251	0.2
93.97134	0.2
94.06512	0.4
95.89822	0.2
107.68188	0.2
122.05953	1.1
124.07486	0.4
136.07486	0.5
162.09091	0.2
164.10648	0.2
176.64685	0.2
186.07796	0.4
197.10652	0.4
199.12204	0.4
211.08623	1.0
212.09467	0.3
225.10191	8.5
226.08855	0.3
226.10966	7.0
226.13182	0.3
239.11913	0.2
241.13301	8.1
241.15744	0.3
244.08357	0.3
245.09286	0.4
259.14478	1.7
263.10443	0.2
269.09161	2.0
270.10025	1.1
271.10641	0.4
284.11496	4.2
285.12274	100.0
286.12698	1.4
290.12787	0.3
302.12674	0.3
304.14398	0.4
310.11847	1.9
318.12296	0.4
318.15836	0.3
319.16684	2.3
320.17471	0.3
322.11783	1.6
332.14008	0.5
334.11816	0.3
334.19086	0.8
336.13278	1.5
346.15421	1.5
347.16205	1.5
348.13300	1.3
348.17059	0.8
350.15005	0.4
362.11081	2.7
362.14935	0.9
362.18652	1.4
363.16037	0.4
364.16577	0.8
376.12775	4.1
377.13632	2.3
378.13715	0.4
378.18091	8.9
380.19464	1.5
382.21136	0.4
388.16489	0.3
390.14258	2.6
390.17975	0.4
391.15228	4.8
392.15820	0.8
404.16046	0.4
405.09518	0.2
406.17532	43.4
407.18100	1.1
408.19116	28.9
409.19275	0.4
426.19971	0.7
436.18671	1.1
451.17380	1.9
452.18069	38.5
453.18430	0.7
482.19122	19.0
483.19553	0.3
589.26416	5.3
619.27509	51.8
620.27789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.6
54.81491	1.8
55.01877	14.4
55.05506	73.7
57.03436	2.6
65.03944	1.8
67.05495	60.2
69.03413	7.6
69.07053	34.1
71.04977	2.8
79.05477	71.4
81.03403	17.0
81.07040	100.0
83.04961	18.6
83.08604	46.9
83.12823	2.1
85.02904	3.3
85.06554	2.2
87.04433	13.5
91.05466	63.2
92.09295	2.7
93.07026	55.2
95.04938	36.3
95.08577	35.9
97.06522	10.4
97.10156	22.2
103.05416	1.9
105.07014	54.8
107.04951	28.4
107.08579	36.8
109.06506	19.3
109.10149	13.2
111.04427	9.7
111.08085	7.7
117.07000	32.6
119.08562	52.6
121.06491	17.7
121.10109	27.8
123.04438	2.1
123.08035	15.5
125.05937	1.8
125.09598	19.2
129.06992	15.9
130.07819	2.6
131.08551	27.2
133.06480	3.7
133.10124	25.1
134.73009	1.9
135.08072	11.4
135.11719	13.5
137.09628	4.7
142.07805	2.8
143.08530	11.0
145.10103	31.2
147.08043	14.8
147.11671	15.3
149.09622	30.4
151.11209	7.5
153.09135	8.2
153.12677	2.5
155.08568	3.2
157.10081	8.7
159.08012	7.7
159.11691	13.0
161.09621	15.2
161.13243	4.0
163.11153	38.1
165.09117	4.6
165.12770	3.3
169.10132	3.2
171.10278	1.8
171.11684	8.1
173.09598	9.1
173.13216	7.3
175.11191	8.3
181.12192	2.4
183.11716	4.4
187.11133	1.8
189.11237	10.0
191.10703	3.2
197.13173	3.6
215.14178	2.1
223.13287	3.7
227.17902	3.0
229.19496	2.3
239.17888	2.3
245.18895	2.4
249.14949	2.9
255.17358	3.4
257.19031	9.9
261.14822	2.1
273.18381	29.8
275.20029	54.7
290.18893	2.4
291.19495	76.8
293.21274	15.4
309.20538	3.4
547.37677	3.7
583.39673	7.7
618.42065	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	619.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07832	0.2
52.85711	0.2
53.82084	0.2
53.86522	0.2
55.01827	0.3
62.32953	0.2
67.05460	0.4
71.42337	0.2
81.07008	0.6
85.02863	0.3
89.92059	0.2
91.05415	1.4
93.06973	1.2
97.02866	0.5
104.86676	0.3
105.06986	0.5
108.08057	1.3
109.06425	0.3
119.04887	1.3
121.06445	0.3
122.05952	0.4
136.07495	1.3
137.05933	0.7
138.09114	0.4
147.04372	1.1
151.91339	0.3
164.07031	5.7
164.98486	0.3
185.10782	0.8
186.11526	0.3
199.12271	4.3
200.13054	5.2
202.54636	0.3
213.14006	0.3
218.10417	1.4
225.10089	0.5
226.10956	1.0
234.10056	0.3
235.10718	0.4
241.13289	11.9
243.11200	1.1
244.12085	0.4
257.12396	0.3
258.13562	3.8
259.14355	100.0
260.14685	1.3
271.10641	0.3
285.12234	8.5
289.11856	0.3
334.19006	0.3
336.13428	0.3
338.18710	0.3
344.73367	0.3
350.15042	1.2
362.18716	0.4
364.16348	0.5
365.17264	2.0
366.18100	1.2
378.18054	0.5
380.19617	10.3
381.20273	0.4
382.21167	50.8
383.21533	0.5
406.17514	2.2
408.19055	2.7
425.19373	1.3
426.20123	24.3
427.20624	0.5
452.17859	2.6
456.21188	17.4
482.18979	4.5
589.26447	5.3
619.27539	30.5
620.27533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68496	2.8
52.36128	2.7
52.71461	3.4
53.03930	4.4
55.01860	18.5
55.05509	47.8
56.16675	2.7
57.07051	4.9
62.44906	3.0
64.54911	3.2
67.05497	61.1
69.03396	2.9
69.07041	31.4
71.04962	4.2
79.05478	58.5
81.03403	6.4
81.07038	100.0
83.04944	22.3
83.08608	37.0
85.06516	3.4
87.04471	31.8
87.04910	3.4
91.05045	3.1
91.05470	47.7
93.07029	66.7
95.04934	31.1
95.08582	31.3
97.06493	22.0
97.10143	18.3
99.08127	3.8
102.49615	3.4
105.07011	54.2
107.04269	3.1
107.04939	18.5
107.08578	34.4
109.06478	19.0
109.10149	20.1
111.04457	4.6
111.08031	7.8
117.06988	30.4
119.08560	46.4
121.06500	21.1
121.10126	22.0
123.08024	21.1
125.09590	21.4
126.49214	3.1
128.06189	3.5
129.06935	14.3
131.08519	36.0
133.02817	14.6
133.06506	6.8
133.10104	24.9
135.08014	15.7
135.11691	13.6
137.09596	3.8
141.06937	3.8
143.08569	7.3
145.10109	43.0
147.08015	18.5
147.11722	6.0
149.09598	18.5
151.07472	3.5
157.10091	21.5
159.08049	5.6
159.11649	13.0
161.02316	7.4
161.09608	17.8
163.11124	21.6
169.10077	6.9
171.11661	4.5
173.09576	4.9
173.13277	4.9
181.10182	3.8
185.13245	3.8
189.11237	4.9
193.04929	21.5
197.13229	5.8
223.13298	5.0
227.12746	5.2
255.17480	4.3
273.18378	24.7
275.20111	43.6
289.10739	7.0
290.10928	5.3
290.46960	3.7
291.19489	93.9
293.20990	14.2
309.20392	8.7
326.47107	4.4
362.82068	3.5
522.42560	4.2
533.71307	3.9
545.52295	4.3
565.38068	6.0
583.39435	6.2
618.41833	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	619.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24636	0.1
54.81553	0.1
56.40135	0.1
57.37717	0.1
67.05457	0.1
72.41949	0.1
72.43423	0.1
79.45245	0.1
81.73889	0.1
91.05418	0.7
92.09307	0.1
93.06973	0.6
100.41386	0.2
108.08090	1.0
119.04852	0.8
122.05952	0.2
122.09581	0.3
133.79768	0.1
136.07538	1.2
147.04375	0.3
160.09882	0.2
161.24504	0.1
164.07024	4.6
185.10651	0.7
186.11487	0.6
197.10803	0.1
199.12265	4.1
200.09259	0.2
200.13031	5.1
213.13733	0.2
218.10443	0.8
219.11205	0.3
225.10178	0.8
226.10941	0.9
241.13303	11.1
243.11238	0.9
244.11975	0.6
245.12848	0.3
258.13593	3.8
259.14352	100.0
260.14697	1.4
271.10635	0.2
284.11636	0.2
285.12271	5.4
289.11807	0.3
291.37234	0.2
292.14380	0.3
306.15887	0.2
308.14063	0.2
320.17740	0.3
321.18484	0.3
322.15448	0.2
338.18469	0.3
350.14938	0.5
351.15616	0.3
352.16199	0.2
352.20081	0.9
362.18536	0.2
364.16516	0.7
365.17191	1.9
366.17902	1.4
376.12848	0.2
378.18060	0.2
380.19577	8.2
381.20044	0.5
382.21164	51.5
383.21365	1.1
406.17523	0.9
408.19022	1.9
425.19247	1.9
426.20139	21.8
427.20557	0.5
452.18158	1.6
456.21182	24.8
457.21442	0.3
482.19089	4.5
482.62524	0.2
589.16980	0.2
589.26398	4.0
619.27484	21.9
620.28082	0.8
644.09613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.4
55.01870	12.2
55.05507	62.4
55.31664	0.9
57.03428	2.6
57.07065	1.8
65.03909	1.9
67.05494	53.9
69.03432	3.9
69.06711	2.0
69.07059	32.4
69.94188	1.1
71.04979	5.4
79.05478	50.5
80.06194	0.9
81.03390	18.5
81.07040	51.5
83.04977	13.6
83.08611	43.9
85.06552	1.3
87.04447	4.6
91.05468	48.6
93.07024	53.5
95.04954	66.4
95.08593	31.5
97.06484	8.2
97.10147	14.8
99.08088	1.6
103.05447	1.9
105.07014	57.3
107.04945	24.1
107.08585	34.9
109.06509	12.1
109.10156	11.2
111.08076	6.2
112.04612	1.3
115.05453	2.0
117.07011	23.5
119.08559	36.7
121.06505	10.7
121.10123	27.2
123.08055	9.0
123.11702	2.1
125.09616	11.7
125.10391	1.3
127.25610	1.1
129.07013	8.9
130.07762	1.3
131.08536	24.6
133.06479	4.8
133.10098	31.1
135.08047	7.1
135.11658	12.1
137.09601	7.2
139.11124	1.6
143.08551	6.5
145.06477	5.2
145.10106	34.6
147.08025	9.9
147.11664	11.2
149.09605	37.5
151.11099	2.8
154.23668	1.2
155.08557	7.5
157.10138	7.1
159.07953	1.8
159.11693	11.9
161.09607	2.1
161.13283	2.4
162.74229	1.1
163.11153	42.5
165.09032	1.5
165.12749	6.4
169.10135	6.5
169.12117	1.2
171.11714	2.5
173.09610	9.6
173.13235	5.9
175.11156	5.3
177.12714	2.8
183.11682	2.4
187.11205	4.8
189.11209	4.9
189.12785	1.8
191.14342	1.3
197.13242	4.4
205.12289	1.7
223.13266	25.4
229.19565	4.5
230.40387	1.4
236.89667	1.3
239.17920	12.3
249.14816	2.4
257.18927	11.4
273.18539	10.6
275.16995	2.6
275.20004	72.0
291.19492	100.0
293.21066	59.2
293.23700	1.6
544.12561	1.7
583.39740	1.5
618.40747	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	2.0
53.03939	4.2
54.57697	1.5
55.01862	7.8
55.05510	68.9
55.45218	1.6
57.03430	2.3
57.07060	10.2
59.04999	2.7
64.37980	1.5
65.03929	4.1
67.05500	36.2
69.03411	10.8
69.07056	20.5
71.04984	13.5
76.91246	1.6
79.05479	45.9
81.03426	3.0
81.07040	67.1
83.04977	16.5
83.08608	61.2
85.02924	1.8
85.06552	13.5
86.04288	1.7
87.04461	17.7
91.05470	63.8
93.07024	83.3
95.04958	34.3
95.08578	35.1
97.06507	27.2
97.10180	3.5
99.04432	4.7
103.05453	2.5
105.07021	100.0
107.04908	8.3
107.08583	66.2
109.06500	23.1
109.10143	29.1
111.08070	11.5
113.05978	1.7
113.09634	8.4
115.05434	3.6
116.06240	4.2
117.07013	29.1
119.08568	80.7
120.09420	2.2
121.06493	14.4
121.10126	41.9
123.08030	39.6
123.11695	8.6
125.09625	14.6
128.06209	12.2
129.06961	28.1
130.07765	12.1
131.08549	66.2
132.09315	3.1
133.06445	2.2
133.10132	48.3
135.08008	7.3
135.11703	11.8
137.09608	10.7
139.11179	9.6
141.06943	12.5
142.07774	29.6
143.08560	51.6
144.09326	11.3
145.06480	8.4
145.10118	71.1
146.10959	2.6
147.08046	11.1
147.11681	26.2
149.09604	15.5
149.13142	2.0
153.06981	2.8
153.12814	2.4
154.07816	2.6
155.08572	21.8
155.10661	12.0
156.09320	19.9
157.10114	66.2
158.10909	10.1
159.08052	13.3
159.11682	40.0
160.08810	16.1
160.12297	1.8
161.09576	8.3
161.13243	4.1
163.11157	15.7
165.06932	4.0
165.09099	7.9
165.12729	2.9
167.08546	10.8
167.10675	2.9
168.09311	7.3
169.10103	30.9
170.10893	8.5
171.11638	31.6
172.12466	3.6
173.09566	8.8
173.13257	17.8
175.11168	11.0
179.08536	10.3
179.14294	3.5
180.09323	8.1
181.10043	18.4
181.12267	7.4
182.10855	11.3
183.11694	26.0
185.13234	14.5
187.11136	2.2
187.14848	4.1
189.12703	4.0
190.13544	2.5
191.08652	2.3
191.14317	3.7
192.09328	2.4
193.10126	15.3
193.12048	2.1
194.10896	8.7
195.11681	22.0
196.12468	11.8
197.09570	2.2
197.13203	30.5
198.13704	1.9
199.11177	3.1
199.14871	11.6
201.12694	3.1
203.14493	2.5
205.10242	3.2
206.10916	2.3
207.11713	15.3
207.13632	3.5
208.12433	4.6
208.14572	2.2
209.13295	18.1
210.13977	2.3
211.14809	16.2
213.12798	6.9
217.10181	2.7
219.11768	3.5
221.13211	13.3
221.15399	11.2
222.13953	3.1
223.14833	10.3
225.12796	3.1
225.14796	8.4
225.16585	3.3
227.14299	2.6
231.11652	3.8
233.13234	2.2
233.15363	8.3
234.16119	2.9
235.14755	9.5
237.16377	6.8
239.17902	3.4
246.16045	2.1
247.14784	3.7
253.15723	2.5
263.17871	4.2
265.19727	2.6
273.18399	12.7
275.19916	11.2
287.03317	2.0
290.11075	2.2
291.19547	9.7
293.21149	8.6
299.20102	2.4
348.89957	1.8
600.41272	3.9
618.42072	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	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	60.5
57.07054	16.3
59.04992	3.0
59.24084	2.0
67.05489	30.4
69.03413	6.4
69.07059	20.3
71.04981	10.2
76.06129	2.5
79.05478	40.6
81.07041	50.2
83.04950	11.9
83.08601	51.1
85.06525	12.9
87.04440	6.4
89.06004	14.9
91.05453	50.1
93.07024	60.5
95.04942	29.2
95.08583	31.7
97.06493	16.9
97.09167	2.8
99.04399	2.7
103.05462	18.5
104.05745	3.3
105.07011	100.0
105.07663	5.3
107.08577	61.3
109.06496	17.8
109.10152	22.6
111.08085	3.2
113.09648	2.5
117.06981	27.1
119.08553	92.1
121.06465	9.6
121.10114	39.5
123.08047	31.4
123.11639	4.1
125.06011	3.6
125.09631	12.4
128.06197	5.2
129.06972	26.2
130.07759	5.8
131.04910	35.1
131.08545	56.0
132.05214	4.9
132.09340	4.0
133.06493	4.6
133.10109	38.6
135.08052	21.2
135.11641	11.2
137.05974	6.0
137.09566	15.8
139.11140	2.8
141.06990	6.1
142.07803	22.8
143.08537	50.4
144.09300	15.8
145.06509	4.4
145.10112	71.0
146.10956	3.5
147.08035	25.1
147.11671	16.0
149.09599	13.9
151.07480	4.3
154.07637	3.1
155.08452	19.4
155.10622	5.1
156.09328	21.4
157.10097	58.4
158.10889	6.2
159.08009	10.2
159.11682	37.1
160.08820	14.5
161.09589	16.1
161.13264	4.3
163.07492	14.3
163.11134	15.1
165.06921	4.6
165.09132	23.6
167.08566	5.5
167.10661	4.2
168.09250	3.4
169.10068	28.3
170.10858	5.2
171.11659	26.2
172.12381	4.3
173.09604	9.8
173.13193	17.9
175.11156	15.6
179.08701	8.3
179.10483	4.7
180.09361	3.8
181.10078	17.1
181.12250	14.9
182.10844	6.1
183.11661	19.9
185.09618	4.4
185.13214	16.2
187.11249	3.1
187.14688	3.3
189.09148	3.1
189.12758	10.2
191.14255	5.9
193.10210	6.2
193.12039	4.3
194.10887	10.1
195.11658	22.9
196.12447	4.0
197.13202	17.1
199.11160	4.4
199.14874	4.5
201.12759	3.4
203.14301	11.4
207.11707	5.8
207.13779	4.0
208.12482	3.2
208.14513	5.3
209.13316	19.3
210.13945	3.5
211.11267	2.8
211.14748	5.6
212.15669	2.8
213.12686	4.9
213.16470	2.5
215.10757	2.7
215.14330	3.9
221.13292	9.3
221.15341	36.8
223.14777	10.9
225.12776	2.7
225.14702	5.1
225.16638	3.3
227.14317	3.8
233.13229	5.1
233.15372	10.1
234.16057	11.3
235.14627	2.7
247.14638	3.5
249.16383	3.5
255.17113	2.9
274.19266	3.0
286.19266	4.0
287.20010	27.7
299.20038	4.4
312.20999	4.8
325.21609	5.3
352.23965	27.5
365.24918	4.6
385.59842	2.7
538.36328	67.7
576.92456	2.7
618.41956	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	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
53.95522	2.9
55.01848	4.0
55.05509	51.0
57.07064	16.9
59.04987	4.3
60.01473	3.2
67.05516	27.9
69.03422	5.6
69.07047	13.3
69.33244	3.0
79.05481	32.4
81.07037	55.3
83.04972	13.8
83.08611	45.4
85.06522	5.5
87.04459	48.7
91.05463	46.6
92.06238	3.8
93.07027	56.9
95.04945	26.4
95.08587	43.7
97.06493	16.8
105.07020	79.4
107.04955	4.8
107.08572	62.4
109.06489	23.2
109.10144	16.2
111.08051	3.7
112.36398	3.3
113.09606	4.1
117.06994	28.2
119.08554	77.9
121.06505	13.7
121.10105	30.0
121.62499	3.1
123.07983	25.5
125.09637	6.2
129.06963	25.0
130.07753	6.9
131.08556	41.2
133.10114	36.3
135.07997	17.4
135.11649	6.8
137.09608	8.5
142.07764	22.3
143.08549	34.3
144.09319	15.1
145.10114	53.8
147.08011	22.4
147.11642	15.4
149.09549	13.3
151.07521	6.2
154.07823	5.3
155.08522	16.2
156.09348	18.9
157.10100	51.0
158.10892	6.3
159.08052	4.8
159.11661	36.7
160.08794	16.7
160.11176	14.7
161.09608	13.9
161.13251	5.3
162.10378	4.2
163.11186	13.4
165.09055	27.6
166.07703	3.5
167.08510	7.3
168.09326	4.1
169.10112	18.6
170.10956	5.2
171.11674	23.9
173.09610	15.5
173.13292	6.3
175.11130	13.4
179.14264	4.5
181.10092	7.2
181.12225	6.2
182.10812	5.5
183.11658	18.6
185.13182	13.5
187.11142	5.8
189.12727	12.2
191.14313	5.9
195.11716	16.4
197.13153	16.6
199.14824	5.2
203.14236	14.5
207.11748	4.9
207.13756	12.6
208.12541	4.3
208.14442	6.1
209.13191	18.7
210.13919	3.9
211.11237	5.5
211.14859	4.9
214.57021	3.4
220.12297	4.0
221.13261	10.9
221.15332	38.9
225.14694	4.6
233.15459	3.5
234.16090	7.1
271.16656	5.2
287.20047	34.9
299.20029	5.9
303.19348	3.7
325.21646	5.2
337.21912	4.7
352.23886	43.6
353.24756	5.2
365.24695	7.5
472.31537	3.9
525.35468	14.0
538.36536	100.0
544.62921	3.9
618.41589	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04176	1.3
51.93561	1.4
53.03927	1.9
54.16143	1.3
55.01853	9.9
55.05505	29.5
56.02450	1.3
56.05011	1.4
57.07063	2.2
58.99574	4.1
63.43975	1.4
67.05488	25.9
68.05014	1.6
69.03412	3.1
69.07042	10.9
70.02924	2.0
70.06557	2.4
71.04950	2.4
73.01105	1.7
74.00653	2.4
76.02206	12.8
76.03960	2.9
79.05460	21.3
80.04964	3.4
81.03397	4.0
81.06596	2.8
81.07037	33.4
81.39217	1.4
83.04951	3.8
83.06085	7.3
83.08599	18.2
84.04478	16.2
85.01097	2.1
85.02891	2.6
86.00613	1.7
86.99014	2.2
89.07835	1.7
89.84200	1.6
91.05457	15.5
91.05952	1.3
93.07019	21.3
94.06551	5.9
95.04937	63.8
95.08582	15.8
97.01087	7.2
97.06503	3.6
97.10137	13.5
103.05527	1.8
105.07033	12.2
106.06551	2.6
107.04929	8.1
107.08591	15.1
109.06516	7.5
109.10117	8.5
111.02636	9.2
111.08038	4.1
112.02178	6.2
113.00575	2.5
115.05748	3.1
116.01675	14.1
117.07016	3.4
119.08520	12.7
121.06468	7.5
121.10120	8.2
122.09630	2.9
123.08021	3.3
125.09601	7.0
126.03713	14.2
127.02120	1.6
130.04979	3.6
131.08542	7.8
132.08052	2.7
133.10068	7.2
135.08044	2.9
135.11664	6.0
137.05943	3.4
138.03656	5.8
139.03267	1.8
140.58553	1.8
144.01099	2.3
145.06067	11.5
145.10110	11.7
147.07993	2.4
147.11676	3.2
149.01210	3.0
149.09586	10.0
151.05693	2.0
153.06541	6.6
156.08423	1.8
159.11697	3.8
162.02179	3.7
163.11148	22.6
165.12743	2.0
170.09854	2.6
173.13129	2.8
177.12672	3.4
179.04803	2.5
181.06097	2.8
181.10472	1.9
182.09930	9.7
183.08443	1.9
185.03754	7.0
189.11128	2.4
223.13298	15.7
231.04282	16.0
246.72705	1.7
261.08667	3.0
268.13632	2.7
275.19949	11.2
285.12518	6.6
293.21030	41.8
303.12283	2.2
307.17068	2.4
308.08997	2.0
310.83826	1.9
323.20020	2.2
324.19882	7.7
332.20279	11.0
333.18622	7.2
350.21347	28.2
351.19852	7.3
368.22357	16.9
369.20834	4.0
380.96637	1.8
386.23886	1.8
407.23599	5.1
435.22549	2.2
453.24109	100.0
471.25192	52.5
502.44009	1.8
525.26154	3.4
543.27039	6.8
558.22510	6.5
600.29187	6.1
618.30542	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	618.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31584	0.6
55.05504	1.4
56.05000	0.8
56.96563	7.6
57.07050	0.6
59.23004	0.7
60.08156	9.7
60.15713	0.7
62.59147	0.7
67.05490	1.5
69.07076	0.8
71.07359	7.9
71.95245	0.8
72.08131	0.8
75.08930	0.7
79.05473	1.8
81.03454	0.8
81.07018	2.4
83.08606	0.9
86.09689	34.0
93.07018	1.1
95.08591	3.7
101.69175	0.9
102.92580	1.0
104.10724	100.0
105.07037	1.0
111.82019	0.8
119.08546	1.0
124.99992	1.7
128.98637	1.0
136.93121	0.8
154.94168	4.0
172.95227	11.3
180.95734	1.7
184.07358	1.4
190.96254	8.8
198.96745	28.2
210.96786	2.9
216.97812	38.9
228.97884	5.2
230.67702	0.8
239.12759	1.0
240.09947	1.4
247.53139	0.9
249.54051	0.7
254.99431	1.4
266.46301	0.8
273.00516	1.1
300.05133	1.4
307.98093	0.9
319.19250	10.3
337.20419	35.9
355.21506	1.6
360.21994	1.4
473.19598	4.8
499.21356	4.0
502.25955	7.1
558.28436	15.4
565.20856	0.9
618.30188	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	617.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39301	2.0
53.00302	2.1
53.03922	2.5
55.01849	8.6
55.05505	67.1
57.03426	16.4
57.07072	17.8
60.11118	2.1
61.99854	1.7
67.05497	70.3
69.07054	77.0
71.04965	4.7
71.08640	4.5
79.05476	48.5
81.07042	100.0
83.04970	9.2
83.08604	59.0
83.14203	1.9
85.06512	3.5
85.10179	3.9
87.81527	1.9
91.05463	34.5
93.07024	64.5
93.34486	1.8
95.04946	9.1
95.08583	80.2
97.06515	14.8
97.10168	30.6
99.04395	2.6
99.08087	3.7
105.07013	25.7
107.04935	4.6
107.08595	40.6
108.14144	2.4
109.06517	4.5
109.10146	38.7
111.08072	10.2
111.11700	8.9
117.07021	11.8
119.08576	23.6
121.06445	2.3
121.10122	48.0
123.08045	5.0
123.11694	11.3
125.09618	4.2
131.08562	16.7
133.06494	2.4
133.10115	19.5
135.08022	2.6
135.11676	29.2
137.09608	2.4
139.11171	4.2
145.10077	10.3
145.19543	2.1
147.11662	12.5
149.09605	8.4
149.13239	12.9
149.35841	2.4
153.12682	2.5
159.11716	4.8
161.13243	9.2
163.11201	4.2
163.14745	4.0
201.16426	3.8
201.37769	2.1
217.19537	3.3
219.17336	9.2
219.21013	4.8
235.20547	13.0
237.22122	14.2
247.16858	3.4
253.21390	2.4
311.25797	4.1
314.27368	2.0
327.25275	8.5
329.26852	4.9
335.25674	13.1
339.21408	3.0
368.10849	2.1
415.04822	2.7
471.41461	3.4
489.42838	9.7
507.43756	9.0
544.05457	2.5
563.46588	18.6
581.47748	76.4
599.48505	10.2
640.22107	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	617.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
54.47522	1.8
55.01868	3.4
55.05511	26.5
57.03432	2.7
57.07080	14.2
59.04976	2.0
63.78773	1.9
65.57043	1.6
67.05496	36.8
69.03420	11.1
69.07058	35.6
71.04976	3.6
71.43764	1.9
77.31969	2.1
79.05474	44.9
80.06261	2.4
80.27551	2.0
81.07045	51.6
83.04972	23.0
83.08598	16.1
85.02898	4.0
85.06504	2.3
91.05459	61.1
93.07027	55.4
95.04951	32.2
95.08604	27.9
97.06515	100.0
103.05453	2.9
105.07022	91.4
107.04957	3.3
107.08595	46.7
108.43543	2.1
109.06509	24.8
109.10138	26.3
111.40688	1.9
115.05438	8.0
116.06233	3.2
117.06998	24.0
119.08554	53.9
119.20974	1.8
121.06483	12.5
121.10126	54.8
123.08056	12.3
123.11700	3.4
125.05965	18.3
125.09576	8.9
128.06238	11.3
129.06992	21.7
130.07773	12.1
131.04953	2.5
131.08548	34.9
133.02821	17.4
133.06494	8.5
133.10136	30.2
135.04253	2.4
135.08018	14.3
135.11691	13.0
135.57530	2.1
137.09593	5.0
139.11110	2.4
141.06981	9.3
142.07787	23.2
143.08548	42.2
144.09312	7.9
145.06442	3.6
145.10107	49.8
145.11214	2.5
147.08003	14.8
147.11694	13.8
149.09560	18.2
152.06517	2.1
153.07098	3.1
155.08522	20.2
156.09343	14.7
157.10092	42.0
159.08072	15.4
159.11658	26.1
161.02350	14.2
161.09618	8.1
161.13271	3.5
163.03912	8.6
163.11176	22.5
165.07001	4.8
165.09163	7.8
166.07803	3.4
167.08548	11.4
167.10619	43.3
168.09369	4.5
169.10080	22.3
170.10915	5.0
171.11655	23.9
173.09579	4.0
173.13268	11.6
175.11122	10.6
175.14755	3.1
177.12665	2.2
178.02655	2.5
179.08580	12.1
180.09225	4.1
181.10139	12.9
181.12247	12.8
182.10915	4.6
183.11642	16.7
184.12581	2.5
185.09543	3.4
185.13223	9.0
187.11110	2.6
187.14767	2.9
189.12761	8.1
191.14279	2.9
192.09415	2.7
193.04915	45.7
193.10146	9.8
194.10907	9.3
195.11630	15.2
196.12361	3.6
197.13216	14.8
199.14824	3.5
203.03409	4.8
205.10130	2.9
206.10927	4.5
207.11662	12.3
208.12570	4.0
209.13239	13.6
211.14821	10.4
213.12769	4.7
215.14264	3.0
218.11000	2.6
219.11758	3.6
219.13696	2.3
220.12460	3.1
221.13231	9.7
221.15396	8.2
223.14755	7.3
227.14546	2.2
231.11580	3.9
232.12550	2.4
233.13179	4.3
233.15240	19.1
235.14853	9.1
244.12532	3.3
245.08000	2.5
245.13129	2.4
249.16479	2.9
257.13190	2.5
275.17743	2.7
281.19421	2.5
289.10675	48.1
303.21088	2.2
311.20120	2.3
361.25137	2.7
599.40399	3.6
617.37268	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	617.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
57.07058	0.3
64.83150	0.1
65.01962	0.1
67.05479	0.8
69.07048	0.9
79.05473	0.9
81.07036	1.1
83.08601	0.7
84.41569	0.1
91.05456	1.2
93.07022	0.8
93.88812	0.1
94.04156	1.0
95.04939	0.6
95.08590	0.8
97.06497	0.6
97.10148	0.3
103.05445	0.2
103.93892	0.1
105.07011	1.2
107.04902	0.2
107.08574	0.8
109.10125	0.2
119.04899	0.3
119.08575	0.6
121.10125	0.3
122.03627	4.0
123.08080	0.2
131.04906	0.9
131.08527	0.5
133.06424	0.4
133.10100	0.3
135.11618	0.2
136.88162	0.2
137.05959	100.0
138.06328	0.3
143.08513	0.2
145.10167	0.3
147.08078	0.2
149.13191	0.2
151.07567	0.3
157.10175	0.3
163.07549	1.3
165.09096	0.3
169.10104	0.2
171.11572	0.2
175.23694	0.2
181.08531	1.9
196.12291	0.2
212.11697	0.1
219.21056	0.2
237.22134	0.2
255.23071	0.3
289.10651	0.3
411.59326	0.2
599.40637	0.2
617.40424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4046
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester hexadecanoic acid
Peak:m/z	Relative Intensity
53.81675	0.3
55.01861	0.5
55.05509	9.4
56.41693	0.4
57.03429	0.5
57.07072	5.3
59.04998	0.4
63.03635	0.3
67.05496	5.4
68.83851	0.4
69.07059	11.5
71.04977	1.6
71.08620	2.6
79.05479	4.2
81.07042	9.9
81.07478	0.7
83.04976	0.9
83.08609	8.4
85.06519	0.5
85.10173	0.6
88.52216	0.4
91.05465	5.3
93.07040	6.9
94.04175	0.7
95.04922	0.7
95.08589	7.1
97.06513	3.3
97.10152	5.0
103.05457	27.5
105.07029	2.5
107.04940	0.8
107.08591	5.2
109.06486	0.7
109.10139	3.5
111.08084	1.6
111.11707	0.7
115.05466	3.7
117.06995	4.7
119.04900	0.5
119.08557	3.6
121.06504	3.7
121.10152	5.1
122.03616	3.6
123.08033	0.8
123.11716	0.6
125.09663	0.6
128.06204	11.2
129.06985	0.8
129.08998	0.4
131.04915	62.7
132.05692	0.5
133.06500	0.9
133.10045	0.7
134.07179	0.5
135.08075	1.4
135.11679	3.9
137.05963	47.4
137.13278	0.4
139.11185	0.8
142.07828	0.6
143.04974	0.4
143.08553	26.2
145.06480	2.6
145.10133	0.8
147.08029	5.7
147.11714	0.4
149.05991	0.5
149.09596	0.5
149.13260	2.2
151.07530	8.8
153.06892	0.5
153.12715	0.9
155.06067	0.6
157.10118	0.5
159.08009	0.5
160.05190	2.5
161.06027	0.4
161.09595	0.4
162.06735	3.0
163.07523	93.5
163.14767	1.6
164.07918	0.6
165.09128	0.4
165.81233	0.4
169.09970	0.4
171.08025	20.6
171.13759	0.6
173.05940	0.4
173.09575	1.8
174.06732	0.6
175.07520	36.1
177.09087	100.0
178.09613	0.5
181.10359	0.4
183.30589	0.4
188.08328	2.4
195.10147	1.9
203.10655	13.9
205.12245	2.3
207.08112	0.6
219.21019	2.0
221.11697	17.4
221.15189	0.9
224.08252	0.5
235.20622	0.7
237.22089	3.0
255.23134	2.0
289.10687	0.5
299.12769	0.8
327.15991	1.5
345.17178	0.6
382.65131	0.4
457.33032	2.3
475.34198	6.9
477.95389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09451	1.6
54.82220	1.6
54.93430	1.7
55.05500	10.2
57.07057	6.9
60.19841	1.8
67.05489	12.3
69.07046	10.3
70.02981	1.7
71.08590	2.4
76.56970	2.4
79.05474	8.1
81.07040	14.1
81.55461	1.8
83.04981	3.1
83.08602	10.2
91.05466	9.2
92.64670	2.1
93.07013	9.6
94.04222	2.0
95.04935	2.3
95.08583	7.4
97.06514	3.6
97.10133	4.6
103.05449	8.8
105.07011	12.1
107.08572	10.7
109.06512	3.0
109.10142	3.0
119.08511	3.5
121.06485	3.6
121.10120	9.8
122.03613	4.6
131.04903	10.9
133.06464	17.1
133.10127	4.3
135.08023	4.6
135.11627	4.4
137.05949	100.0
137.09586	1.9
147.08009	2.4
149.13251	3.5
151.07555	4.5
163.07491	21.8
163.14780	2.5
171.08051	3.0
171.30336	2.3
175.14806	2.5
177.08928	2.7
203.10507	3.7
219.20905	2.9
221.15356	2.2
237.22121	9.9
255.23108	8.2
295.13379	4.3
327.15762	3.1
521.88983	2.2
617.35858	13.3
642.20404	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	617.403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75269	0.2
55.05491	0.5
56.16312	0.2
57.07063	0.3
65.33196	0.2
67.05481	1.7
69.07047	1.0
79.05469	1.3
79.71972	0.2
81.07030	1.4
83.08616	0.3
91.05446	2.1
93.07015	2.0
95.04949	0.4
95.08565	0.6
97.06496	1.0
103.05441	7.8
105.07006	2.1
107.08563	1.3
109.06487	0.3
109.10182	0.3
115.05407	0.4
117.06985	2.4
119.04921	0.4
119.08561	1.3
121.06487	0.9
121.10130	0.5
122.03628	0.5
123.08047	1.4
128.06207	0.4
129.06953	0.5
131.04903	19.0
131.08560	1.0
133.02798	0.3
133.10110	0.5
135.07996	1.2
137.05952	16.1
137.09575	0.5
143.08545	1.5
145.06445	1.3
145.10143	0.3
147.08026	0.6
149.09621	1.0
151.07523	5.1
152.40428	0.2
157.10182	0.4
161.05904	0.3
161.09520	0.3
161.13237	0.3
162.06741	2.4
163.07507	27.3
165.09113	0.6
171.08028	1.2
175.07512	2.9
176.70851	0.2
177.09073	100.0
183.11642	0.4
192.62619	0.2
195.10095	2.1
203.10574	0.4
221.11702	10.6
221.15326	1.2
278.14896	0.3
289.10724	0.4
299.12698	0.5
314.49756	0.3
330.42261	0.3
387.70691	0.3
426.80057	0.3
617.36285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.05487	9.3
67.05487	13.0
69.07039	7.8
79.05471	11.7
81.07031	17.4
83.08600	3.8
91.05474	7.6
93.06991	15.0
95.04936	2.5
95.08576	10.5
97.06506	1.8
97.10148	1.8
100.22176	1.7
103.85327	2.3
105.07007	13.6
106.99525	2.1
107.08576	9.5
109.10146	4.0
116.36757	1.7
119.08553	7.9
121.10091	7.0
123.08082	2.3
131.08592	2.4
133.10104	3.3
137.05968	2.3
137.09517	2.0
145.10120	3.5
157.10168	2.7
165.09103	8.9
171.11630	2.2
221.15283	2.6
263.69250	2.2
283.15158	16.8
313.19354	2.0
336.93042	1.7
466.54733	1.9
604.90601	2.2
617.40070	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	617.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.05487	9.3
67.05487	13.0
69.07039	7.8
79.05471	11.7
81.07031	17.4
83.08600	3.8
91.05474	7.6
93.06991	15.0
95.04936	2.5
95.08576	10.5
97.06506	1.8
97.10148	1.8
100.22176	1.7
103.85327	2.3
105.07007	13.6
106.99525	2.1
107.08576	9.5
109.10146	4.0
116.36757	1.7
119.08553	7.9
121.10091	7.0
123.08082	2.3
131.08592	2.4
133.10104	3.3
137.05968	2.3
137.09517	2.0
145.10120	3.5
157.10168	2.7
165.09103	8.9
171.11630	2.2
221.15283	2.6
263.69250	2.2
283.15158	16.8
313.19354	2.0
336.93042	1.7
466.54733	1.9
604.90601	2.2
617.40070	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	617.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09451	1.6
54.82220	1.6
54.93430	1.7
55.05500	10.2
57.07057	6.9
60.19841	1.8
67.05489	12.3
69.07046	10.3
70.02981	1.7
71.08590	2.4
76.56970	2.4
79.05474	8.1
81.07040	14.1
81.55461	1.8
83.04981	3.1
83.08602	10.2
91.05466	9.2
92.64670	2.1
93.07013	9.6
94.04222	2.0
95.04935	2.3
95.08583	7.4
97.06514	3.6
97.10133	4.6
103.05449	8.8
105.07011	12.1
107.08572	10.7
109.06512	3.0
109.10142	3.0
119.08511	3.5
121.06485	3.6
121.10120	9.8
122.03613	4.6
131.04903	10.9
133.06464	17.1
133.10127	4.3
135.08023	4.6
135.11627	4.4
137.05949	100.0
137.09586	1.9
147.08009	2.4
149.13251	3.5
151.07555	4.5
163.07491	21.8
163.14780	2.5
171.08051	3.0
171.30336	2.3
175.14806	2.5
177.08928	2.7
203.10507	3.7
219.20905	2.9
221.15356	2.2
237.22121	9.9
255.23108	8.2
295.13379	4.3
327.15762	3.1
521.88983	2.2
617.35858	13.3
642.20404	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	617.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17152	4.7
55.01868	7.0
55.05508	51.0
57.07066	11.6
67.05499	52.7
69.03429	8.0
69.07060	51.3
79.05472	43.7
81.07027	65.2
83.04951	13.6
83.08607	45.8
90.06379	6.4
91.05444	39.3
93.07044	62.7
95.04961	8.5
95.08559	48.4
97.06506	100.0
97.10130	12.9
99.86969	5.7
103.05414	5.6
105.06997	40.5
107.04881	9.3
107.08572	46.2
109.06486	27.8
109.10144	14.4
111.26074	5.8
113.88107	6.6
117.07017	12.6
119.08560	27.5
121.10148	52.6
125.05957	8.3
129.06972	7.2
131.04927	9.4
131.08565	14.3
133.02861	22.9
133.10110	28.6
135.04350	8.1
135.11659	11.1
143.08511	10.6
145.10101	20.9
147.08017	5.8
147.11682	14.4
149.09503	7.2
155.40572	6.6
157.10078	13.9
161.02353	13.0
161.05956	27.6
162.06143	8.4
163.03885	26.3
163.11098	9.5
167.10680	9.6
169.10065	8.8
171.11676	13.0
177.09061	21.6
178.02553	8.0
178.09445	8.2
181.10109	9.8
193.04929	38.0
203.03416	11.0
245.08087	31.5
250.88687	6.3
258.17575	7.1
289.10654	97.4
327.25204	36.8
349.19235	7.1
425.55786	6.0
457.12521	6.2
545.94196	5.9
617.35083	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	617.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33909	0.7
55.05502	1.7
61.42254	0.8
67.05487	2.3
68.90667	0.9
69.07040	2.3
79.05488	4.6
81.07037	6.3
81.27269	0.9
83.04958	1.1
85.02903	1.4
91.05466	5.1
93.07018	4.9
95.04953	1.5
95.08593	1.7
97.06513	1.0
105.07021	5.7
107.08589	4.1
109.06506	1.2
109.10165	1.3
112.48408	0.9
117.06996	1.3
119.08542	4.4
121.10093	1.4
131.08548	1.2
133.10100	2.0
135.61267	0.9
143.08534	1.0
145.10141	1.1
251.12508	2.1
307.15115	1.6
309.35477	0.9
333.20425	8.3
389.22949	5.1
617.36414	100.0
618.36987	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.366
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
55.05512	4.4
55.05719	0.5
57.03426	0.9
57.07058	0.8
67.05500	4.6
69.07047	3.3
77.90336	0.5
79.05471	3.5
81.03394	2.0
81.07034	8.3
83.04983	1.1
83.08604	2.4
85.02888	2.3
85.06511	0.7
91.05474	3.9
93.07024	3.2
95.04926	1.3
95.08594	3.7
97.06513	0.8
97.10172	0.7
105.07016	3.8
107.08585	2.8
109.10156	0.9
117.07014	0.7
119.08569	4.2
121.10123	3.2
123.08068	0.6
124.49735	0.6
125.05931	0.6
129.07001	0.8
131.08598	1.9
133.10112	2.2
135.08043	0.7
135.11630	0.7
136.27748	0.6
137.71579	0.6
143.08678	0.7
145.10165	1.3
147.11676	0.7
149.09619	0.8
149.85948	0.5
151.07594	0.8
156.09250	0.7
156.79515	0.5
157.10144	2.5
159.11613	0.6
163.11259	0.7
165.09081	0.9
167.10663	0.7
171.11739	0.7
181.12247	0.8
183.60611	0.5
185.29062	0.6
189.12801	0.6
195.89580	0.6
209.08817	0.7
221.15326	0.9
251.12395	1.3
307.15002	1.0
333.20276	8.3
339.28973	1.0
340.29269	2.5
389.23016	5.1
409.95511	0.5
580.11804	0.6
616.34125	0.7
617.36414	100.0
618.36395	0.9
632.99908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44758	1.5
53.03928	1.7
55.01864	3.8
55.05511	17.4
57.03421	8.0
57.07076	2.8
60.38382	1.7
60.58389	1.7
67.05480	14.0
69.03410	3.1
69.07063	23.5
71.04974	2.0
71.08619	2.0
79.05479	19.5
81.07047	22.2
83.04960	3.4
83.08600	11.1
91.05453	15.3
92.08701	3.2
93.07027	15.6
95.04946	2.5
95.08580	13.4
97.06516	69.5
97.10137	2.5
98.62424	1.8
105.03376	1.9
105.07015	20.4
107.04986	1.8
107.08616	14.0
109.06517	3.1
109.10140	3.8
117.07009	4.5
119.08562	17.2
121.06509	2.6
121.10136	13.0
122.20097	1.8
123.08009	1.9
125.79609	1.8
129.06956	2.4
131.08536	8.3
133.02847	23.2
133.10107	8.5
135.08022	2.8
142.07732	2.7
143.08527	4.2
145.10101	12.1
147.07964	2.1
149.09584	2.5
151.03891	3.6
151.07518	2.8
155.08514	1.8
157.10097	7.4
159.11661	4.2
161.02313	21.8
162.03081	2.7
163.03880	21.1
163.11136	2.7
165.06888	2.2
165.09019	2.9
167.10623	3.0
169.10115	3.7
171.11702	3.8
175.11156	2.7
178.02600	18.5
181.12093	2.5
182.10710	2.0
183.11606	2.4
193.04938	67.1
197.13190	3.1
203.03378	21.3
221.15256	2.3
223.14723	2.0
233.13132	2.1
245.08064	30.1
271.09650	9.5
273.18298	2.2
289.10678	100.0
342.35950	2.5
481.47961	1.9
532.31238	2.0
617.36108	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	617.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80690	4.0
60.50703	3.4
61.02876	4.1
69.03411	10.5
69.07069	7.1
70.06565	17.3
72.08139	7.8
73.27535	4.5
75.62519	3.7
76.81925	3.9
81.03416	6.3
84.04488	5.2
84.08133	10.4
85.02878	25.4
86.09726	4.9
87.36306	3.9
89.59554	4.3
91.05447	6.2
92.08701	8.0
107.04941	51.9
108.05247	6.7
127.03818	6.5
131.04933	8.6
137.05943	20.1
141.34570	4.5
143.10545	4.7
163.07547	10.0
179.00351	4.3
205.47487	4.5
222.96535	4.6
225.40675	5.3
232.48820	4.1
249.71053	4.5
347.05536	5.1
479.09634	8.1
485.58539	4.9
497.09946	9.2
512.16058	4.9
527.11664	5.6
581.12140	16.3
599.13544	100.0
617.14325	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2606
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
52.00471	0.3
54.81517	0.5
55.05508	0.4
60.21613	0.4
65.03901	0.4
66.11708	0.3
67.05482	0.8
69.07045	0.4
70.06594	0.4
73.25748	0.4
79.05457	1.8
81.03385	0.4
83.24159	0.4
91.05444	1.7
103.05400	0.7
105.07011	0.5
106.06547	3.8
107.04932	0.4
134.06009	3.0
137.05943	1.8
162.05466	10.0
162.06723	0.7
165.01784	0.5
183.02815	0.5
185.10616	0.5
186.11491	0.5
199.12257	4.9
200.13062	4.5
212.70691	0.4
213.13794	0.6
225.10074	0.4
226.11012	0.8
241.13301	11.9
243.11186	0.8
244.12070	0.6
258.13593	4.3
259.14365	100.0
260.14822	0.5
272.95282	0.4
285.12338	2.5
293.18936	0.5
307.16547	0.5
320.17526	1.6
321.18295	0.8
322.15604	0.7
322.19125	0.7
334.19131	0.6
336.13333	0.4
336.17059	0.8
350.15021	2.3
351.15277	0.5
352.20132	2.8
362.18457	0.8
364.16397	1.6
364.20453	0.5
365.17154	3.7
366.18039	1.6
378.18069	0.9
380.14673	0.7
380.19601	24.5
382.21188	48.1
383.21423	0.5
406.17484	1.8
408.19116	0.8
425.19379	2.3
426.20148	43.1
427.20572	0.7
452.18140	0.8
456.15073	0.6
456.21136	9.6
469.23544	0.7
470.24329	0.5
583.17737	0.4
587.24835	17.3
617.25848	50.1
618.26202	2.0
618.54285	0.5
632.07776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.05489	1.1
67.05477	5.3
69.03427	1.2
69.07042	0.8
70.06555	1.4
77.14329	0.7
79.05473	3.6
81.03419	1.5
81.05791	0.9
81.07034	1.8
82.06564	1.4
85.02895	1.8
85.06541	3.1
91.05455	4.9
93.07028	8.5
94.06539	11.6
95.04951	1.6
95.07331	9.5
95.27627	0.7
96.08110	18.1
97.02949	0.8
97.06523	3.3
103.05401	1.1
105.07006	1.5
107.07308	1.0
108.08101	11.5
109.08867	0.9
110.09667	33.5
116.46021	0.7
120.08091	33.0
121.06492	0.9
121.08836	3.0
122.06028	7.3
122.09654	4.5
123.06775	1.6
124.07571	5.2
127.03877	1.4
131.04921	1.0
133.10100	1.0
136.07556	12.2
137.05937	1.5
138.09126	100.0
148.07603	1.1
149.06052	0.8
150.09128	1.6
166.08603	7.8
170.80219	0.8
174.09203	0.9
194.00856	0.7
217.09764	1.0
229.09712	1.5
231.11317	1.4
237.08986	0.9
241.09692	1.6
243.11224	3.2
244.05960	1.1
245.09200	0.9
257.09119	13.5
259.10889	1.3
267.11292	1.4
269.09161	1.7
271.10669	1.4
283.10693	1.0
293.21072	0.9
299.10239	4.8
301.11703	0.8
302.12643	1.3
303.13284	3.3
313.11792	6.4
317.11307	9.8
329.11194	11.9
330.12027	4.9
331.12793	2.9
452.18192	21.2
466.23190	0.9
478.19678	3.1
571.25421	7.6
589.26611	5.2
599.24603	5.7
617.26013	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	617.3661
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
51.37888	0.6
54.81483	0.6
55.05509	3.2
57.03444	1.0
58.39462	0.5
67.05505	4.8
69.07059	1.1
79.05485	4.9
81.03387	5.5
81.07040	5.5
83.04967	0.9
83.08593	1.1
85.02913	1.8
86.34476	0.7
87.19029	0.7
91.05471	4.3
93.07035	4.7
95.04958	2.9
95.08606	3.0
98.45394	0.7
98.97566	1.0
105.07057	5.2
107.08588	3.5
109.10175	1.1
111.08121	0.9
119.08566	4.0
121.10134	2.9
122.10548	0.7
123.08028	1.8
125.59571	0.7
133.10138	3.4
143.08560	1.0
145.10173	0.9
147.08046	0.7
149.09657	1.2
150.02563	0.7
175.11104	0.9
188.18257	0.8
201.49339	0.8
251.12610	0.9
297.07047	0.7
333.20319	5.3
389.22885	3.3
617.36499	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	616.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81205	0.1
55.01859	0.2
55.05489	0.2
57.03428	2.0
61.02918	0.2
64.32756	0.1
69.03407	0.2
69.67689	0.1
69.85453	0.1
70.06565	0.2
72.08118	0.1
75.04480	1.2
75.87616	0.1
79.05463	0.3
81.03395	0.2
81.07029	0.2
84.08122	0.1
85.02898	1.3
91.05466	1.3
94.04163	0.6
95.04990	0.2
97.02869	0.7
100.11246	0.2
103.05450	4.2
105.07002	0.5
107.04935	0.2
109.06459	0.1
119.04920	1.5
120.77193	0.1
121.06491	0.2
122.03640	2.6
122.06001	0.1
125.05981	0.2
126.43976	0.1
127.03926	0.5
131.04903	15.3
133.06494	0.3
135.04385	0.3
135.08046	0.5
136.05188	0.2
136.42807	0.1
137.05957	100.0
138.06296	0.7
139.34962	0.1
146.51903	0.1
147.04391	0.2
148.05220	0.1
149.05965	0.5
151.03819	0.2
151.07495	2.0
155.03410	0.1
161.06003	0.6
163.07512	22.5
165.05537	0.2
165.09065	0.5
166.06252	1.0
168.06491	0.2
175.07515	1.3
177.05463	0.2
177.09012	0.2
179.07071	0.7
180.09335	0.1
181.08521	0.8
182.15331	0.5
183.02882	0.1
193.08591	0.9
203.04845	0.1
203.07002	0.4
205.08574	0.8
207.10072	0.1
210.14906	0.3
211.07623	0.2
211.09622	3.8
219.10114	0.1
237.11182	12.6
255.12225	16.8
268.38138	0.1
331.81070	0.1
357.81107	0.1
437.21664	0.7
465.60660	0.1
599.41785	0.1
627.84467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55778	0.1
55.05495	0.2
58.02943	0.2
59.54580	0.1
67.05480	0.6
68.90777	0.2
69.07054	1.5
72.95042	0.1
79.05454	1.0
81.07038	1.0
83.08624	0.3
86.82932	0.1
91.05458	0.8
93.07001	1.0
94.04158	1.7
95.08611	0.3
95.12994	0.2
97.06512	0.3
97.47918	0.2
105.07002	0.8
107.04929	0.2
107.08562	0.9
109.10124	0.8
111.79137	0.2
114.09164	0.3
122.03622	4.6
126.09117	0.2
133.10080	1.1
135.11659	1.1
137.05952	100.0
138.06294	1.4
139.06522	0.2
151.11128	0.3
153.12717	0.9
170.15393	1.0
182.15344	2.6
306.20575	5.8
403.45532	0.2
411.25232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
54.49171	2.4
55.01871	4.3
55.05507	36.9
57.07051	4.2
63.51750	2.9
64.25906	2.3
66.12065	2.5
67.05499	33.7
69.07061	14.5
72.76935	2.9
79.05490	22.0
81.03387	5.3
81.07043	34.3
83.04984	6.8
83.08601	20.4
91.05460	36.1
92.08632	6.2
92.63372	2.5
93.07029	30.7
95.04941	27.1
95.08580	26.8
95.57337	3.0
97.06528	4.7
97.10129	4.4
105.07027	29.0
107.04944	13.0
107.08586	19.9
109.06532	6.0
109.10162	13.1
110.72079	2.8
117.06985	12.0
119.08591	23.9
121.06506	13.0
121.10146	17.0
123.08057	4.0
123.29710	2.8
125.09599	3.4
129.07030	3.3
131.08540	16.8
133.10135	19.9
135.08044	6.1
135.11716	6.7
137.09528	3.1
145.10110	19.1
147.11696	12.9
149.09604	18.0
151.11188	4.0
157.10149	3.2
159.11682	13.7
163.11194	22.8
173.13220	3.7
175.15063	2.9
223.13313	6.5
239.17813	4.7
257.19061	11.7
275.20020	100.0
293.21054	82.9
313.79297	3.1
540.23859	3.8
542.53522	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	616.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01854	1.3
55.05492	3.0
55.68908	0.6
56.05018	1.0
56.96557	9.2
57.03417	1.6
57.07088	0.8
60.08149	7.5
67.05490	7.2
69.07046	4.2
71.04947	1.0
71.07365	8.0
72.08124	1.0
79.05459	5.3
81.03396	7.4
81.07030	11.9
83.04917	0.8
83.08605	3.1
84.46799	0.7
84.96005	0.8
85.69044	0.7
86.09689	31.2
91.05458	5.8
92.09342	1.7
93.07010	7.1
95.04948	2.8
95.08589	6.7
98.97522	0.9
104.10725	100.0
105.07008	4.4
107.04949	1.4
107.08564	3.6
109.06492	3.8
109.10164	1.1
116.98617	1.3
117.07046	0.9
119.08548	4.0
121.06467	1.0
121.10096	1.4
123.08025	1.4
123.11678	0.8
125.00010	1.6
125.09604	0.8
127.46092	0.6
129.06973	1.0
131.08551	3.0
133.10088	1.3
135.08080	1.3
135.11642	0.7
136.93108	1.0
137.09563	0.9
145.10085	0.8
146.99655	1.7
147.07935	0.7
154.94128	3.5
161.01221	0.9
161.09637	0.9
172.95181	10.7
180.95735	4.2
184.07297	2.9
190.96236	6.7
198.96754	24.1
210.96568	0.8
216.97812	30.6
228.97789	5.4
240.09993	2.7
254.99255	1.1
258.03946	0.8
267.15805	4.1
317.14319	1.5
317.17844	33.7
335.18878	22.2
339.21497	0.9
358.20456	1.0
436.95969	0.8
453.17035	1.6
471.18152	5.1
497.19998	5.4
500.24228	7.4
513.32166	1.2
531.33038	5.5
540.92914	0.9
556.27014	15.8
616.17419	3.3
616.28821	15.3
617.22406	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.1
53.03938	0.2
55.01868	0.1
55.05500	0.5
57.07059	0.6
67.05494	0.7
69.07053	1.1
71.08582	0.1
74.53864	0.1
77.03918	0.4
79.05476	2.3
81.07033	0.9
83.08177	0.1
83.08598	0.7
85.10136	0.1
89.05997	0.4
91.05456	0.7
92.08714	0.2
92.78776	0.1
93.07029	0.7
95.04957	0.7
95.08591	0.8
97.06506	0.2
97.10143	0.4
103.05455	0.2
105.03384	0.7
105.04523	0.1
105.07006	1.3
107.04896	0.1
107.08596	0.8
109.10145	0.5
111.08099	0.2
116.31970	0.1
119.04916	0.6
119.08571	0.4
121.10141	0.5
123.08041	0.1
125.09589	0.2
129.06982	0.1
131.04897	0.9
133.06482	1.3
133.08655	0.2
133.10103	0.4
135.04398	100.0
135.11688	0.6
136.04756	0.6
137.05965	2.1
139.11125	0.2
145.10097	0.2
147.08067	0.1
149.05968	0.4
151.07524	0.1
157.10165	0.1
159.11685	0.1
161.05980	1.3
163.11134	0.1
163.14778	0.2
165.09055	0.7
179.07027	1.5
183.10114	0.1
209.13266	0.1
219.21036	0.7
237.22147	0.8
255.23135	1.1
355.33582	0.1
376.68561	0.1
615.42346	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	615.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.3
55.05503	67.6
57.03426	6.4
57.07063	17.3
59.04988	4.4
59.79772	3.0
66.38569	3.8
67.05495	61.5
69.03381	3.9
69.07064	66.1
71.04968	7.7
71.08621	5.8
79.05473	44.7
81.07046	97.8
83.04958	9.6
83.08611	51.8
85.06532	8.4
88.42499	3.7
89.06009	16.0
91.05448	25.0
92.08691	8.9
93.07035	67.0
95.04974	7.2
95.08588	100.0
97.06483	20.6
97.10139	25.6
105.07027	29.8
107.08575	43.4
109.10155	41.3
111.08076	8.4
117.07027	4.0
119.08575	27.9
121.10133	40.2
123.08009	5.2
123.11718	6.8
125.09562	4.6
131.08569	18.0
133.08548	5.9
133.10143	23.6
135.04384	58.3
135.08063	4.1
135.11656	17.2
139.11134	6.4
141.10428	3.6
143.08588	4.6
145.10071	22.0
149.13278	5.9
157.10155	6.9
159.11684	7.7
173.13222	6.6
215.17935	4.1
233.19008	19.9
237.22151	7.3
251.20009	60.1
251.33411	4.5
269.21091	35.9
311.25854	4.0
325.23526	5.8
343.24673	18.2
469.40396	7.1
487.41455	5.1
505.42288	17.4
517.37994	4.9
523.43219	5.9
558.56628	4.4
597.47382	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.7
53.03941	1.4
55.01864	5.9
55.05264	1.1
55.05508	18.4
56.05024	0.8
57.03418	0.9
57.07078	0.9
58.99570	3.2
63.39101	0.5
64.33475	0.7
65.03912	0.8
67.05494	18.0
68.04987	0.8
69.03409	1.6
69.07050	10.3
70.02921	3.5
71.04971	1.3
74.00648	3.7
76.02209	4.3
76.03979	2.7
79.05474	27.4
80.04996	2.9
81.03388	3.3
81.07040	34.5
82.06548	0.7
82.39033	0.8
83.04958	4.9
83.06070	5.0
83.08601	8.2
84.04494	13.0
85.01111	1.7
85.02888	1.4
85.06512	0.9
86.00646	1.6
86.46580	0.7
86.99030	1.3
87.19477	0.6
88.02176	1.1
88.34762	0.7
91.05463	14.2
93.07024	13.5
94.06544	1.5
95.04947	14.1
95.08582	10.0
96.04442	0.7
97.01083	5.5
97.06516	2.9
97.10152	9.7
99.02647	0.8
99.05560	3.0
100.02187	1.4
101.20649	0.7
103.05466	1.1
105.07012	13.0
106.06540	2.6
107.04947	4.8
107.06056	1.4
107.08562	11.4
108.08102	0.8
109.02838	0.8
109.06510	4.4
109.07621	0.9
109.10111	4.6
111.02656	3.7
111.04411	3.1
111.08043	2.8
112.02177	19.5
113.00556	3.0
113.04219	3.6
114.00078	0.8
115.05473	0.8
116.01681	6.8
117.05736	0.7
117.07005	9.5
118.06556	1.3
119.04897	1.1
119.08549	17.1
120.08079	0.9
121.06501	6.1
121.10122	6.3
122.06004	0.8
123.02644	1.3
123.08073	4.8
124.02165	1.4
125.04165	2.5
125.09643	6.6
126.03703	9.1
127.02140	0.8
128.06187	0.8
129.06528	5.8
130.04999	5.1
130.06499	0.8
130.07851	0.7
131.04935	0.7
131.08539	10.3
132.08055	1.3
133.06461	1.4
133.10117	5.4
135.08040	5.6
135.11705	1.6
136.02147	0.9
136.03979	0.8
137.00609	0.8
137.04169	1.7
137.05957	1.3
137.09572	0.9
138.03752	7.8
139.02119	4.2
139.03148	1.3
139.05740	1.3
140.01634	1.4
142.03256	1.0
142.07779	0.8
143.08545	4.2
144.01146	1.4
145.06036	9.2
145.10115	10.6
146.09628	1.4
147.08023	7.9
147.11636	2.7
149.04134	1.2
149.09607	4.9
150.03723	13.4
151.04549	1.1
151.05736	1.2
152.05267	3.0
153.06534	1.6
154.03200	3.3
154.06841	0.8
155.08340	1.2
157.10115	3.2
158.02760	0.7
159.11623	1.6
160.11205	0.7
161.09596	4.0
161.13196	0.7
162.02193	2.9
163.05800	0.8
163.11148	5.2
164.05258	4.1
166.06828	14.7
168.08403	1.1
171.11636	1.0
172.11217	0.9
173.09523	0.9
173.11737	0.7
175.05824	0.6
175.11179	0.9
177.07349	0.7
178.06897	0.7
179.04953	0.9
179.08849	0.8
180.08412	3.7
181.06662	1.5
185.03760	8.1
185.13237	0.8
186.12814	1.1
187.05414	0.8
189.11230	1.6
191.08986	1.0
194.09891	1.0
195.08327	1.2
199.07071	0.8
223.13316	1.5
229.06421	1.7
231.04312	12.5
236.11105	1.4
239.04790	2.6
249.14806	3.0
253.06419	5.0
254.07066	1.3
255.17381	0.7
262.12558	12.6
267.08002	6.0
268.08698	10.1
273.18420	8.0
279.12961	0.9
280.13589	30.8
283.10901	1.5
290.20938	2.6
291.19507	26.0
297.13867	3.6
298.14685	37.8
305.15674	2.6
321.18802	5.0
322.18402	1.5
330.18735	2.7
331.17072	4.0
337.15799	1.1
348.19815	9.4
349.18182	7.3
366.20798	7.6
367.19290	3.1
381.14453	1.1
382.15582	5.7
383.16141	1.3
400.16306	4.7
405.21872	1.4
433.21179	0.8
451.22546	100.0
452.22589	1.1
469.23615	52.1
523.24402	3.6
541.25720	7.4
598.27515	3.7
616.29022	11.1
616.44330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.7
53.68834	0.5
53.92292	0.5
55.05502	6.4
55.66828	0.5
57.03424	3.8
57.07070	13.5
58.06584	2.7
65.03918	1.5
67.05492	13.8
69.07046	6.8
70.06573	24.8
71.08611	3.9
79.05488	4.1
81.07030	15.2
83.08611	3.9
85.10156	1.0
88.07616	28.5
91.05478	2.7
91.41746	0.6
93.07017	4.9
95.08587	10.3
97.06514	1.0
97.10150	2.4
98.98447	1.1
102.09160	23.7
105.07020	1.4
107.08586	2.7
107.50409	0.6
109.10149	4.4
119.08601	1.4
121.10113	0.8
123.11689	0.8
131.04965	1.1
133.10121	1.0
147.04358	0.9
147.11720	0.9
149.02321	65.7
149.90172	0.6
175.04021	0.9
190.37950	0.6
193.04938	84.6
194.05309	0.6
219.06488	0.7
256.26288	49.6
269.04453	2.7
297.03958	2.9
313.07028	4.6
337.27304	26.0
341.06488	12.8
359.07571	7.1
385.09094	63.3
608.47137	0.7
614.33136	100.0
615.33356	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	614.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81264	2.6
55.05502	10.0
57.03424	3.4
57.98791	1.8
60.44726	2.0
61.02907	10.5
67.05498	29.2
69.07044	14.5
76.55685	2.1
79.05487	22.8
81.07044	27.5
83.04973	2.3
83.08605	5.1
85.02920	7.2
85.06494	2.8
91.03943	2.5
91.05430	25.3
93.07026	27.4
95.04944	8.3
95.08578	13.5
97.02878	3.6
105.07035	31.4
107.04951	4.8
107.08579	12.2
109.10144	3.2
112.29510	2.2
117.06995	15.6
119.08549	12.3
121.06477	3.9
121.10094	5.2
123.08017	3.6
129.06966	16.2
131.08568	19.9
133.10117	9.8
141.06984	3.9
143.08545	10.9
145.10095	16.0
147.11655	3.2
155.08530	5.5
157.10092	4.2
159.11702	2.8
163.11116	2.4
167.08533	2.8
169.10147	3.8
173.13167	4.1
181.10176	2.3
183.11653	2.4
185.13159	3.0
187.11101	4.4
199.11162	11.3
297.28564	2.5
301.58322	2.4
325.21646	13.7
336.26169	3.3
343.22574	13.2
351.64935	2.4
417.26300	100.0
435.27344	32.4
525.90448	2.8
609.11731	2.7
633.23462	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	614.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81472	0.9
55.01864	1.0
55.05502	9.4
57.03432	15.9
61.02914	9.6
67.05501	20.7
67.28042	1.0
69.03415	4.6
69.07059	9.2
71.01329	1.8
71.04970	1.8
73.02893	4.5
78.63791	1.0
79.05480	22.5
81.03413	2.6
81.07042	12.8
83.04973	6.9
83.08621	1.9
85.02892	14.4
91.03939	6.5
91.05464	4.8
93.07027	26.6
95.04932	1.8
95.08588	2.5
97.02887	5.5
97.06512	10.3
97.10166	8.2
99.04488	1.2
100.11240	4.9
105.07050	1.5
107.08585	22.2
109.02827	1.4
109.10091	1.8
117.06988	2.3
119.08567	2.0
121.06524	1.7
121.10097	4.7
127.03901	1.9
135.11684	44.6
137.05936	2.2
145.04935	1.3
145.10094	8.5
147.04434	1.7
147.49947	1.3
153.01912	1.3
163.05937	1.5
163.11182	6.1
181.12219	7.7
184.28773	1.2
210.14714	2.0
231.34676	1.2
254.63483	1.4
255.15869	100.0
273.07449	2.1
351.24777	1.2
359.23178	4.7
359.73380	2.1
417.21051	2.3
510.76651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73843	1.5
55.01851	2.5
55.05503	7.2
67.05492	15.7
69.07032	4.4
74.00652	2.2
76.02210	2.4
79.05480	15.7
81.07037	33.4
83.04955	1.6
84.04494	4.2
90.05560	2.8
91.05473	12.8
93.07052	15.6
94.06566	2.2
95.04961	4.0
95.08596	19.0
95.09103	2.0
96.39020	1.8
97.01109	3.1
99.01408	9.0
100.02179	10.3
105.07015	12.9
106.06555	1.8
107.04981	2.2
107.08579	9.7
109.06465	5.8
109.10130	7.8
111.08029	1.9
112.02188	13.6
113.02918	1.8
114.03729	12.4
116.01627	3.2
117.07023	2.5
119.08549	7.5
120.08081	2.2
121.10118	3.5
123.02640	2.1
126.03718	3.8
129.06601	1.9
131.08607	2.3
133.10126	3.8
139.03244	2.0
139.05724	2.7
140.05281	12.2
145.10109	4.1
147.11703	3.4
149.13266	2.3
152.05254	2.5
154.06883	3.7
166.06903	2.0
168.08398	33.3
171.11632	2.2
173.13205	3.4
181.06082	2.7
185.03763	4.4
202.99217	2.6
216.05598	2.2
230.07193	2.3
231.04324	8.9
233.06114	1.8
256.16193	1.8
264.14142	10.8
269.09592	2.5
275.19934	3.3
281.14301	4.2
282.15149	56.2
284.11832	8.7
350.21439	12.6
351.20010	2.2
368.22501	14.5
398.18796	14.1
467.25647	100.0
468.25693	2.3
520.41302	2.1
525.26093	3.7
614.31671	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	614.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55865	0.1
52.57065	0.1
52.92889	0.1
53.03933	0.3
53.09685	0.1
54.81458	0.1
55.01855	0.3
57.03412	0.8
61.02905	0.8
67.01852	2.1
68.99775	0.8
69.03418	2.6
71.04957	0.2
73.02883	0.1
73.04264	0.1
81.03388	0.8
81.21087	0.1
85.02891	10.0
87.04423	0.2
91.03963	0.1
91.05447	1.0
95.04931	0.6
97.02865	2.5
99.04420	0.2
101.02387	0.1
103.03938	0.2
107.04945	1.1
109.02885	1.1
119.04916	4.1
121.02867	0.2
121.06490	1.9
123.04405	1.7
127.03896	2.3
129.01820	0.6
131.04901	0.3
131.08548	0.2
133.06470	0.2
137.05951	1.4
145.04938	1.5
147.04393	23.7
148.04703	0.2
151.03903	0.8
153.01810	67.9
154.02171	0.6
157.06509	0.2
163.07477	0.2
167.07072	0.1
171.02855	19.7
174.06815	0.2
175.07506	0.2
177.09100	0.5
179.03386	2.0
189.05402	0.9
189.09103	0.8
195.02914	1.0
201.09085	0.2
207.06427	0.2
215.66035	0.1
219.02831	0.2
219.10178	1.8
231.02892	0.2
231.06532	0.7
255.06577	0.2
261.03223	0.1
273.07523	100.0
274.07803	1.5
293.13721	0.1
315.08585	0.6
339.08560	0.2
343.74936	0.2
417.11996	0.2
435.12637	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	614.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.6
53.10641	2.1
55.01851	4.7
55.05499	13.4
56.05015	2.7
58.99575	16.7
67.05489	17.2
69.07048	2.7
70.06571	2.3
71.04949	2.3
76.02215	82.5
76.03988	2.8
79.05477	36.2
79.89587	1.9
80.05032	2.4
81.03371	3.1
81.07041	91.0
83.04945	2.9
83.06095	10.5
83.08603	3.7
84.04485	23.4
86.99033	8.5
89.83081	1.9
91.05460	22.5
93.07012	13.6
95.04945	11.2
95.08571	14.8
97.02860	3.5
97.06516	3.1
97.10152	3.5
100.02128	2.0
105.07006	17.7
107.04949	16.7
107.08570	13.6
109.02869	10.3
109.06507	34.6
112.02177	9.6
113.00562	3.0
114.03723	2.7
116.01677	31.0
117.07013	12.1
119.08546	16.5
121.06484	4.2
121.10091	3.4
123.04385	3.8
123.08069	3.2
124.02174	3.8
126.03730	2.0
129.06570	3.5
130.04973	10.0
131.04884	3.5
131.08554	3.6
133.06456	2.7
133.10083	13.1
135.08014	14.4
135.09918	2.1
137.05934	9.8
138.03719	2.7
140.05301	2.3
142.03209	13.6
143.08612	3.4
144.01141	13.8
145.06406	3.7
145.10077	3.9
147.04382	3.6
147.08055	3.2
153.06642	4.3
159.08003	2.7
161.09607	9.5
162.02187	35.2
163.07573	2.2
170.02664	9.3
177.09087	2.5
179.04840	27.5
179.10675	8.5
185.03847	2.7
187.05376	12.6
187.07375	2.5
189.04649	2.2
193.06746	4.8
222.09392	4.7
231.04251	7.5
233.05847	35.2
240.10457	12.5
241.11330	4.4
242.12099	3.2
243.17421	10.2
244.90138	2.4
261.18326	8.3
279.13040	2.4
289.17938	17.2
305.14197	2.1
307.19046	8.7
308.09012	19.6
321.15204	8.3
346.18253	4.7
364.19327	24.3
383.46857	2.6
417.47272	2.3
449.21051	17.9
467.22076	100.0
468.21960	2.7
539.24023	14.1
614.27008	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	614.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01440	1.3
53.03924	1.5
55.01868	3.9
55.05506	11.6
55.82505	1.4
57.03417	1.8
58.99582	12.8
67.05495	15.8
69.03416	2.8
69.07064	6.2
76.02207	79.5
76.04002	1.8
79.05473	35.7
80.05003	2.1
81.03403	7.0
81.07038	83.6
83.04994	4.6
83.06083	10.4
83.08588	3.0
84.04499	15.2
86.00679	1.7
86.99018	7.1
91.05441	14.4
92.09325	1.4
93.07014	15.8
95.04944	7.8
95.08573	10.6
97.02869	3.1
97.06488	2.8
97.10148	3.7
98.00647	2.6
105.07016	15.6
107.04921	12.1
107.06068	1.5
107.08564	12.5
109.02856	15.2
109.06503	29.9
109.10157	2.9
112.02164	9.3
113.00594	6.6
114.03759	2.7
116.01649	28.6
117.07000	7.3
119.08524	14.7
121.06432	3.1
123.08014	7.3
125.09621	2.0
126.59974	1.6
130.04982	7.7
131.08603	3.1
133.10071	11.7
135.08012	14.6
137.05974	9.0
138.03642	1.6
140.21341	1.6
141.04820	2.1
141.06972	1.6
142.03178	12.3
143.08592	2.8
144.01117	11.4
145.06442	2.5
145.10129	6.1
147.04369	3.2
147.08031	8.6
149.09677	2.0
153.06662	1.8
159.08000	3.4
161.09590	10.4
162.02164	28.0
165.79337	1.6
166.58780	1.5
170.02693	7.5
177.09160	2.8
179.04826	24.4
179.10666	3.2
185.03740	3.4
187.05376	12.7
189.09126	2.8
193.06894	2.7
215.04883	2.2
222.09349	7.8
231.04210	3.6
233.05853	25.6
240.10463	14.7
241.11169	3.1
243.17444	3.7
245.06023	2.1
261.18460	9.9
271.16861	1.9
284.86850	1.6
289.17966	22.0
307.18939	12.0
308.09061	18.1
321.15067	8.7
341.00699	1.6
343.13135	2.5
346.18320	6.2
364.19302	20.9
381.89224	1.5
449.21002	20.4
467.22009	100.0
539.24054	10.8
614.27423	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98502	0.5
53.71579	0.4
55.01850	1.0
57.03412	3.3
59.17461	0.4
61.02917	0.8
69.03405	3.3
71.04993	0.5
73.02885	0.4
77.63816	0.5
79.05456	2.2
81.03387	2.0
81.07026	0.7
83.04993	0.5
85.02896	8.5
91.05460	16.8
93.07007	2.2
95.04937	5.2
97.02865	2.6
99.04420	0.7
103.05457	3.0
105.06998	6.4
107.04932	6.1
109.02868	1.7
109.06490	3.5
111.04427	2.2
115.05459	1.2
117.06976	1.2
119.04919	16.5
121.06483	30.0
122.03625	2.7
123.04403	1.0
123.08052	1.8
127.03870	0.8
128.06206	2.1
129.06985	9.9
131.04926	4.5
131.08487	0.8
133.06461	5.5
135.04364	0.7
135.08078	3.7
136.05151	2.4
137.05957	84.7
143.04897	0.7
145.06490	3.9
147.04388	7.0
147.08070	0.8
148.05151	0.7
149.05960	13.8
150.06737	2.7
151.03897	2.7
151.07523	72.8
152.06128	0.6
155.08501	0.5
157.06464	11.8
158.07350	0.7
159.08069	0.7
161.05936	13.1
161.09550	3.9
162.06757	1.9
163.03900	0.7
163.07513	18.0
165.05560	0.7
165.06973	3.1
165.09081	12.7
166.07738	1.0
167.07262	0.7
167.08554	7.4
169.06509	0.9
174.06728	5.3
175.07506	10.2
177.05481	0.5
177.09082	5.8
178.07695	0.8
179.07001	1.9
179.08554	1.8
180.67783	0.5
181.06520	0.9
181.10149	0.6
182.07253	0.7
183.07961	0.7
187.07623	0.6
189.09062	30.9
190.09441	0.8
191.08507	0.8
191.10622	0.7
193.06470	3.7
193.08566	1.3
193.10078	4.8
194.07265	1.2
195.08046	14.7
195.09900	1.1
196.08780	0.7
197.05911	0.9
197.09669	0.6
203.08595	1.1
203.10498	0.5
205.08505	0.6
207.08197	1.7
207.10168	2.6
209.06067	0.7
209.09599	3.3
210.06659	2.3
211.07573	3.3
212.08243	2.4
219.07997	0.6
219.10173	1.9
221.05977	7.8
221.09560	8.8
222.06667	1.0
223.07523	8.0
224.08319	2.5
225.05516	0.9
225.09077	8.8
225.11115	1.0
227.07164	0.6
227.10628	21.7
228.82747	0.5
233.09482	0.6
234.06717	0.7
235.07564	0.9
237.05498	1.0
237.09073	3.3
238.06236	2.4
238.09918	1.0
239.06958	4.0
239.10631	1.8
240.07739	3.4
241.08498	4.2
241.12245	1.1
243.10179	0.5
248.08315	0.8
249.09073	6.3
251.07054	0.7
251.10570	0.7
252.07811	2.3
253.08571	15.1
253.12199	11.6
254.09305	2.4
255.06451	0.8
255.07185	0.9
255.10118	18.9
256.10742	0.6
257.08099	0.6
265.08664	0.8
266.09256	1.2
267.10098	5.9
269.08139	3.2
269.11658	2.9
270.08792	2.0
271.09625	2.5
272.10339	8.0
279.10056	0.7
281.11597	6.5
284.10410	0.9
285.11124	14.9
286.11996	6.0
287.12704	25.0
293.11679	0.9
297.11230	2.3
298.11981	1.1
299.12799	3.0
301.14304	1.2
311.12701	0.9
312.13480	0.8
313.14294	21.1
315.12015	0.6
316.12979	6.6
325.14392	0.9
329.13806	2.6
330.14551	40.0
331.15338	30.4
342.14743	0.7
359.14935	0.7
369.16846	1.9
372.15680	1.8
387.18030	3.6
405.19006	100.0
406.19223	1.1
417.19067	0.6
529.84613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4439
Annotation	Bengamide J
Peak:m/z	Relative Intensity
50.96476	1.7
105.07002	2.7
110.63427	2.6
111.73544	2.4
133.58551	2.3
150.77213	2.1
595.43835	17.3
613.44293	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
54.45253	3.8
54.81569	4.5
55.05508	41.8
57.03419	6.6
60.39346	4.2
67.05490	100.0
69.07047	23.4
79.05484	58.8
81.07045	97.9
83.08601	20.8
91.05386	37.4
93.07033	75.7
95.08595	96.1
105.07013	46.6
107.08568	44.2
109.10149	27.3
117.06964	17.9
119.08567	43.0
121.10137	30.1
123.11712	7.5
131.08562	31.5
133.10106	29.6
135.11693	25.2
143.08540	7.3
145.10114	30.9
147.11684	11.3
149.13239	8.0
157.10065	7.4
159.11694	11.0
161.13223	9.0
171.11659	6.3
173.13223	6.9
175.14839	5.8
202.82004	5.1
261.22162	7.0
335.25717	8.4
337.27493	11.6
595.46973	6.7
613.48181	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81788	1.2
55.01864	1.7
55.05496	8.2
55.32595	1.2
56.96558	40.0
57.03429	1.9
60.97459	1.1
67.05495	11.9
69.07051	7.5
70.90998	1.1
72.96001	1.5
79.05487	12.9
80.18283	1.2
80.29107	1.4
81.03404	9.8
81.07040	21.8
83.04971	2.7
83.08610	5.5
84.96022	8.0
85.02893	2.3
90.13853	1.4
91.05479	8.0
93.07024	11.1
93.30177	1.1
95.04945	9.0
95.08584	9.9
97.06530	2.4
97.10139	2.0
98.97562	77.5
105.07024	10.0
107.04957	2.0
107.08561	6.7
109.06532	2.2
109.10123	2.3
110.97558	5.5
111.08090	2.0
112.99136	24.5
115.53213	1.4
116.98607	68.4
119.08546	7.5
121.06487	1.6
121.10143	2.0
128.98561	10.6
129.07013	1.3
131.00154	59.5
131.08563	5.1
133.10109	2.3
134.99620	30.8
140.00203	1.6
140.98547	1.6
143.00179	9.3
143.01176	1.5
145.10159	3.1
146.99615	11.3
147.11649	5.1
148.11932	1.3
149.01204	64.8
153.00677	1.9
154.01688	1.8
155.03772	1.3
158.99612	31.3
161.01173	18.5
162.99162	1.7
165.00734	1.8
167.02269	13.9
170.99631	1.7
173.01218	6.3
177.00677	61.5
179.02238	1.8
185.01302	1.5
189.00699	2.8
191.02286	9.2
193.12151	2.5
195.01758	7.7
199.02730	10.4
201.00620	1.5
203.02312	7.6
209.01115	2.6
215.02385	2.0
217.03816	8.0
219.01814	9.2
227.02324	4.7
233.03427	2.8
237.02859	6.0
275.04251	11.3
275.20041	3.1
285.17105	2.6
287.42587	1.9
293.05362	43.5
311.06635	11.1
317.17822	100.0
335.12726	1.9
335.18878	59.0
353.19992	1.6
358.20551	4.6
359.19351	1.4
377.20013	6.2
391.21494	2.0
553.26727	72.9
554.27466	1.4
560.36792	3.1
578.37396	1.5
613.32959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2649
Annotation	Karajinone B
Peak:m/z	Relative Intensity
52.19510	1.2
53.99699	1.1
55.05494	1.9
64.33397	1.2
67.05481	5.4
67.64726	1.1
69.07043	2.4
79.05465	6.1
81.03419	1.4
81.07040	5.7
83.08636	1.8
91.05469	8.4
93.07032	6.1
95.08577	2.3
105.06978	4.7
107.08569	2.3
109.06489	1.8
109.10134	1.6
119.08586	2.6
133.10153	1.9
145.10069	5.2
249.10722	1.5
267.19656	1.5
275.19922	1.9
293.21097	1.5
370.76172	1.4
381.17126	4.8
395.18576	5.9
396.19412	2.9
408.19421	1.7
409.16394	1.6
410.20532	1.7
411.21732	1.4
423.17767	2.7
424.18594	5.0
438.19922	1.5
439.21155	7.1
449.19202	1.4
451.17206	2.5
452.18256	1.6
465.19360	1.6
466.19650	9.6
467.20618	2.8
483.23932	1.5
493.22464	1.7
497.17636	1.6
525.24939	12.4
538.21857	1.8
553.17493	1.8
553.24420	24.7
613.26263	100.0
614.27289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
53.26477	1.8
54.23065	1.6
55.01882	2.3
55.05503	28.7
55.12163	1.6
57.03428	26.3
57.07063	2.0
57.20611	1.6
67.05491	76.0
69.03409	3.7
69.07052	20.8
71.04979	3.7
72.08068	2.0
79.05477	52.3
81.02933	4.0
81.03403	100.0
81.06604	3.1
81.07041	64.3
83.04967	4.9
83.08607	25.4
85.02853	2.0
91.05468	34.6
93.07024	54.0
95.04947	29.5
95.08583	50.5
97.06517	3.8
97.10153	8.1
99.74504	2.0
100.01104	2.0
105.07010	42.0
107.04974	4.8
107.08573	27.2
109.06514	4.1
109.10139	19.4
111.08059	3.0
117.06982	11.1
119.08558	30.2
121.10100	22.5
123.08073	3.6
123.11639	2.7
125.09643	3.4
126.77705	2.4
129.06984	11.4
131.08534	20.1
133.06454	3.2
133.10127	13.9
135.11676	10.1
136.27562	2.6
143.42366	2.1
145.10114	10.1
147.08102	3.0
147.11674	12.8
149.09599	7.8
149.13223	3.4
157.10109	9.8
159.11670	4.2
163.11230	2.6
173.13222	3.7
175.11147	10.4
183.82301	1.9
193.12186	18.1
261.22095	10.4
267.15854	60.6
287.40524	2.5
335.25732	63.0
353.37375	2.7
435.32288	3.0
453.33273	3.0
527.37311	46.7
536.05804	2.7
545.38000	24.1
612.27942	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	613.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24427	4.0
57.03431	7.3
57.79875	3.7
65.03923	4.8
69.03418	6.1
70.06577	5.4
81.03400	18.6
84.08128	4.0
85.02877	40.9
86.09696	4.6
91.80386	3.6
93.03387	18.5
95.04966	14.9
97.02865	17.6
105.07024	7.5
107.04967	28.1
109.02883	23.8
109.06501	6.8
111.70941	4.3
112.09026	3.5
115.05562	4.3
119.04944	16.1
121.02866	32.0
123.04416	20.9
127.03867	7.0
131.04910	8.4
133.06462	6.3
135.04425	35.9
137.05954	34.3
138.06302	5.1
139.03888	8.8
145.06436	5.0
147.04405	18.1
149.02312	4.3
149.09663	4.4
151.03896	8.4
159.04379	6.9
161.02304	5.0
161.05954	23.6
163.03864	31.3
165.01782	7.3
173.02277	5.0
173.05959	9.3
175.00368	5.1
177.01830	17.9
177.05487	8.8
178.68822	3.7
179.06972	5.8
183.02890	8.9
187.03914	7.6
187.07495	5.4
189.01830	26.6
191.03342	28.6
195.02859	60.5
201.05478	21.8
203.03375	21.5
205.04933	9.7
207.02882	59.2
207.10173	9.1
209.04491	7.1
215.03369	17.8
219.02888	99.4
222.57275	4.5
222.59528	4.0
223.02298	9.7
225.03796	27.4
227.03348	8.2
229.04953	25.3
231.02824	50.5
233.04471	9.7
237.03891	29.3
241.04916	4.9
243.02863	22.7
243.06508	15.5
245.04399	7.6
249.04002	29.9
257.04443	22.8
257.13785	8.3
258.14157	4.6
261.03897	100.0
269.04309	7.8
271.05939	5.5
272.25696	4.0
273.03876	46.1
281.04388	4.7
285.03967	56.5
291.04883	30.0
297.03940	7.7
303.04987	34.5
313.07092	9.6
321.06110	17.4
325.07025	4.1
327.04898	36.7
339.06912	21.7
341.06323	5.7
343.08142	8.7
345.05786	6.6
355.07913	16.7
357.05951	6.3
363.07013	13.7
367.07974	9.3
379.08279	6.1
393.08093	6.1
397.09305	28.0
405.08148	35.0
409.09067	14.7
421.09070	14.5
423.09103	7.2
427.10376	6.3
433.08725	5.6
441.10187	21.8
445.10953	20.4
449.13098	4.8
457.11096	18.7
463.10214	17.6
471.61319	4.5
475.12067	20.6
499.12024	6.9
511.11838	5.9
523.11615	6.3
541.13123	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	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01862	12.7
55.05503	62.8
57.03431	23.2
59.05004	2.5
65.60973	1.8
67.05491	71.0
69.03412	8.4
69.07058	31.3
71.04968	10.2
73.27692	1.9
76.55727	2.4
79.05474	70.6
80.63364	1.8
81.03398	61.5
81.07039	69.4
81.81709	2.0
83.04971	31.1
83.08600	49.5
85.02887	28.5
91.04893	2.5
91.05457	66.3
93.07017	63.7
95.04945	100.0
95.08588	38.3
97.02877	2.5
97.06516	14.2
97.10148	12.4
99.04443	2.8
105.07019	58.5
107.04951	27.0
107.08581	39.1
109.06514	12.3
109.10145	13.9
111.04389	16.6
111.08058	10.5
117.07021	17.5
119.08562	42.0
121.06490	13.0
121.10122	29.6
123.08034	8.9
123.11658	2.0
125.09592	10.3
129.07001	19.4
131.08534	34.5
133.06444	2.6
133.10097	29.1
135.08054	4.0
135.11697	11.5
137.09665	2.3
142.07741	3.3
143.08568	3.7
145.10133	24.0
147.08096	3.4
147.11674	27.9
149.09599	36.6
149.13242	2.7
151.11124	2.9
157.10095	12.6
159.11679	9.1
163.11159	36.5
165.12662	3.5
173.13223	4.3
175.11179	16.8
177.12718	2.8
189.10977	3.1
193.12198	33.5
197.13222	2.5
205.12192	3.4
211.13210	38.4
223.13239	28.6
257.19073	4.2
267.15732	20.2
272.92374	2.3
275.19974	46.4
285.16898	52.1
293.21085	23.7
349.23941	16.5
367.24710	28.6
536.83826	2.2
541.35486	21.0
559.36371	29.4
577.37219	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28503	2.1
53.00286	2.3
53.03941	5.1
54.10803	2.3
55.01868	18.1
55.05504	52.7
57.03434	30.6
66.67366	3.2
67.05492	92.6
68.30659	3.3
69.03436	4.1
69.07051	42.8
71.04994	5.0
76.27589	3.1
79.05476	100.0
81.03400	74.1
81.07039	100.0
83.04977	40.3
83.08614	33.3
84.33199	3.1
85.02892	23.3
85.06513	3.2
87.38208	2.9
90.82462	3.1
91.05463	93.2
92.09393	3.1
93.07025	78.8
95.04958	41.8
95.08588	42.6
97.06524	17.8
97.10156	19.6
99.08039	2.8
104.58901	2.8
105.07015	73.2
107.04944	23.3
107.08590	44.2
109.06501	16.8
109.10128	6.1
111.04428	4.6
111.08083	7.4
113.06048	4.0
117.07017	25.8
119.08544	48.8
121.06531	13.2
121.10121	28.0
123.08072	4.6
125.09626	6.3
128.72993	2.9
129.06996	17.1
131.08548	36.4
133.06517	5.3
133.10085	33.7
135.08038	3.3
135.11708	12.6
137.09605	6.3
142.07715	3.5
143.08571	3.5
145.10120	17.4
147.11679	20.2
149.09608	17.2
149.13181	5.4
157.10144	12.6
159.11708	15.7
163.11214	11.4
169.10156	4.4
171.11607	4.0
175.11194	6.7
188.79094	3.2
193.12204	25.9
197.13329	3.4
211.13260	44.9
227.12762	10.7
257.18872	4.9
267.15854	20.5
269.17383	14.3
275.20029	18.1
285.16959	38.9
349.23615	22.0
461.28516	6.2
465.28290	7.0
479.30011	42.5
559.35864	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	612.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81964	1.4
53.03928	2.2
53.20483	1.2
54.27640	1.3
54.76907	1.2
54.81316	1.2
55.01857	7.1
55.05503	32.9
57.03426	17.6
65.03929	1.9
67.05489	54.0
69.03426	2.1
69.07045	27.1
70.07478	1.4
71.01291	1.2
71.04965	7.5
76.77085	1.4
79.05473	45.3
81.03396	47.4
81.07036	100.0
83.04962	18.2
83.08588	24.8
85.02873	22.0
85.06528	3.1
85.50669	1.2
88.97870	1.3
91.05451	49.5
93.07020	36.7
95.04951	31.8
95.08584	32.2
97.06498	12.9
97.10154	6.3
99.04401	1.4
99.08096	2.1
105.07008	49.4
107.04917	11.4
107.08584	23.4
109.06494	19.9
109.10165	10.6
111.04417	4.7
111.08058	8.7
115.05390	1.6
117.07028	9.6
119.08554	36.0
121.06458	5.5
121.10114	20.8
123.08031	6.7
123.11689	6.1
129.06979	13.9
131.08545	20.6
133.10097	23.3
135.08064	2.7
135.11656	7.8
137.09605	5.5
138.09593	1.5
142.07709	1.9
143.08560	2.2
145.10075	12.2
147.08035	2.9
147.11630	22.6
149.09590	13.1
149.13173	2.3
157.10030	12.9
159.11653	6.7
161.13164	1.5
163.11137	8.6
165.12715	7.6
169.10132	1.6
173.09651	2.0
173.13281	2.9
175.11165	15.3
193.12189	24.6
211.13220	27.2
223.13235	2.1
257.18875	2.6
267.15829	11.9
275.19995	31.1
285.16879	32.1
293.21088	11.1
317.17871	3.0
343.25809	1.5
349.23676	14.9
367.24670	27.6
541.35443	12.0
553.26691	2.1
559.36078	30.3
577.37311	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	611.428
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.7
80.30233	1.6
94.02039	1.8
116.96748	1.8
177.49622	1.8
261.67447	1.7
331.18869	2.8
366.01889	1.8
611.42676	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	611.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65758	0.2
51.57879	0.2
52.69664	0.2
52.94754	0.2
55.05520	0.4
60.39499	0.2
66.84931	0.2
67.05489	0.6
68.07384	0.3
71.08604	0.3
72.31448	0.3
79.05486	0.6
79.59286	0.3
81.07066	0.6
91.05418	0.4
93.07002	0.4
95.08575	0.6
105.07044	0.4
119.08571	0.4
121.10134	0.3
133.10143	0.5
145.10080	0.5
166.86809	0.3
315.19385	1.6
317.20886	0.6
438.79886	0.4
530.65179	0.3
555.69775	0.3
593.41620	20.8
611.42719	100.0
612.43237	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	612.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.6
53.29519	4.1
53.55372	4.1
54.81880	5.5
55.05505	38.2
57.03413	25.4
67.05490	59.8
69.07044	31.2
71.04981	5.5
79.05467	55.8
80.05708	4.8
81.03403	40.2
81.07038	100.0
83.04951	19.7
83.08601	17.8
85.02878	5.7
91.05450	43.7
93.07027	57.7
95.04933	12.3
95.08569	26.0
97.06529	7.5
105.07008	51.3
107.04914	9.8
107.08564	26.5
109.06489	21.4
109.10159	8.8
117.06979	9.8
119.08533	43.2
121.06522	6.2
121.10110	24.7
123.08041	6.5
129.06982	10.2
131.08539	24.4
133.10112	10.3
136.06125	9.8
147.11659	22.8
149.09619	10.6
157.10110	7.1
175.11145	6.7
193.12189	20.3
211.13202	21.1
226.51903	5.7
267.15897	10.8
272.23184	5.0
275.20001	24.2
285.16904	30.5
346.69690	5.8
349.23596	9.0
361.95593	5.5
367.24185	6.8
399.98807	5.6
530.32074	7.4
541.35004	10.0
559.36194	11.4
577.36749	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	611.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.6
61.02913	2.8
65.04913	1.2
67.05479	2.0
69.03406	3.4
70.06573	2.3
73.02919	1.5
81.03398	3.2
85.02894	16.9
93.03402	1.7
95.04920	2.0
97.02847	2.1
105.07033	1.5
107.04903	2.4
109.02855	3.2
111.04459	2.2
119.04951	1.9
121.02860	3.0
121.06478	1.7
127.03865	1.8
131.04913	1.7
131.21979	1.2
133.06490	1.4
135.04398	14.1
137.02310	42.6
137.03377	1.9
137.05951	5.2
139.03899	1.5
145.02768	2.4
147.04384	2.5
149.05968	2.0
151.03831	2.1
159.97867	1.3
161.02313	6.4
161.06065	1.2
163.03783	1.5
165.01820	2.8
171.04381	1.9
175.03941	2.6
177.05402	5.7
179.03363	6.3
187.03900	1.6
189.01828	10.2
189.05434	2.0
191.03310	9.7
195.02859	12.5
201.05507	2.3
203.03416	8.2
205.04959	2.8
207.02829	16.3
209.04425	1.9
215.03448	1.7
217.04987	5.4
219.02869	7.2
221.04405	3.2
225.03749	1.5
229.04910	5.9
231.02893	1.9
233.04449	2.5
237.03218	1.3
239.06609	1.5
241.04825	1.8
245.04459	2.3
246.60439	1.3
247.06053	1.9
255.02879	2.6
257.04477	2.4
263.07208	1.4
272.42407	1.3
273.03665	2.4
283.05927	2.2
284.06729	7.5
285.03940	2.6
286.50403	1.3
287.05383	2.1
295.05978	8.7
296.06729	5.4
297.07495	8.8
299.05475	7.1
300.06393	1.7
307.06061	2.0
309.07535	6.5
310.04663	25.4
310.08392	1.8
311.05432	97.5
312.06018	11.8
313.06888	10.3
321.07538	2.1
322.08041	1.5
323.05417	53.5
324.06195	22.2
325.06931	16.3
329.06537	7.4
335.05423	8.9
336.06073	3.3
337.07010	33.6
338.07553	15.5
339.04895	2.7
339.08582	5.8
341.06485	100.0
349.07095	8.8
351.08548	18.3
352.05743	1.9
353.06473	68.1
355.08093	2.2
361.06787	2.3
363.08588	13.7
365.06448	30.6
367.08084	21.9
371.07571	15.6
373.07318	1.9
377.06503	18.5
379.07956	7.9
381.09607	12.5
383.07495	5.5
388.90952	1.7
389.06479	7.4
391.07950	12.8
395.07513	45.0
395.12717	1.6
401.06549	2.5
403.07755	2.1
407.07532	23.8
409.08969	1.8
415.08224	1.8
417.09241	2.3
419.07413	20.5
425.08624	31.1
431.07935	1.7
433.09122	2.1
437.08624	17.9
443.09668	22.2
455.09625	19.2
461.08679	3.3
473.10660	70.4
474.10754	1.7
479.09512	2.6
491.11661	17.1
497.10541	15.8
503.09564	2.2
509.10635	1.5
515.11609	14.3
527.11884	20.2
533.42181	1.5
539.11804	19.2
545.12579	8.7
557.12769	18.4
575.13849	20.7
593.14703	13.9
611.16003	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	610.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37010	3.3
55.01884	4.2
55.05516	32.5
55.89399	3.5
57.03429	10.0
61.48225	4.0
62.54083	3.9
62.90944	3.9
67.05502	42.7
69.07061	30.8
79.05482	48.5
81.03409	15.1
81.07040	100.0
83.04992	5.2
83.08611	22.5
85.06569	5.1
91.05455	37.7
93.07029	60.4
95.04939	19.9
95.08592	49.7
97.02895	6.7
97.06505	7.3
105.07018	44.1
107.04945	17.7
107.08579	47.8
109.06482	8.1
109.10165	20.5
110.04572	3.9
117.07005	18.3
119.08551	27.0
121.10140	27.3
131.08536	7.1
133.10098	17.2
135.08046	4.5
135.11598	32.3
145.10109	35.9
147.11688	7.8
163.11186	49.9
175.11147	4.0
214.59088	4.7
227.12689	37.3
243.49847	4.7
275.20102	20.1
283.15292	38.0
293.21078	5.1
313.27170	4.7
349.23465	16.3
355.94867	5.5
367.24692	29.3
557.34357	38.4
575.35571	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
54.81764	3.6
55.01865	16.8
55.05309	3.1
55.05511	54.1
56.87110	3.2
57.03422	21.9
67.05152	4.5
67.05495	74.3
69.03419	16.7
69.07061	43.0
78.55479	3.6
79.05479	84.0
81.03403	45.5
81.07038	65.7
83.04967	16.7
83.08617	27.3
85.02910	16.9
85.06517	4.9
90.73452	3.7
91.05463	51.4
93.07024	80.0
95.04965	26.7
95.08595	38.6
97.02866	18.9
97.06525	7.6
97.10141	18.5
105.07027	59.1
107.04943	16.4
107.08591	44.4
109.06530	5.9
109.10142	9.5
117.07014	8.4
119.08577	35.2
121.06489	4.9
121.10123	15.8
123.08056	5.8
125.09678	7.8
129.07014	6.2
131.08546	20.0
133.06522	7.2
133.10129	22.0
135.07996	5.0
135.11684	18.9
143.08582	5.3
145.10109	23.0
147.08052	6.2
147.11642	6.1
149.09587	6.8
157.10088	8.3
161.09494	5.0
163.11130	28.3
175.11150	6.9
185.13275	4.1
187.07106	4.2
193.12234	19.7
211.13306	21.5
223.13271	20.6
227.12772	23.2
249.15041	4.0
252.51895	4.3
267.15945	5.6
269.17255	7.3
273.18347	14.5
283.15298	8.5
285.16919	26.0
291.19489	100.0
349.23685	7.9
365.23297	33.8
463.26373	5.2
477.28268	18.2
557.34558	37.8
575.35901	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
54.80966	3.2
55.01866	15.3
55.05506	46.4
55.31971	3.3
57.03438	27.4
67.05499	70.3
69.03423	6.7
69.07060	51.1
71.53070	3.3
75.47829	3.6
76.49712	3.4
77.17333	3.7
79.05476	79.0
80.69337	4.6
81.03399	48.6
81.07035	80.4
83.04956	20.3
83.08597	29.9
85.02908	20.6
88.64197	3.8
91.05463	61.1
92.09417	8.7
93.07030	78.3
95.04950	30.1
95.08602	42.0
96.90846	3.5
97.02869	8.5
97.06527	17.2
97.10165	17.3
105.07024	48.4
107.04937	25.2
107.08586	35.1
109.06507	9.7
109.10136	19.8
111.08075	6.0
117.07005	31.8
119.08540	44.2
121.06479	8.8
121.10098	15.5
123.08064	5.4
125.09629	5.8
129.06990	9.6
131.08531	25.1
133.10121	7.5
135.08058	6.3
135.11679	30.9
143.08545	4.1
145.10123	20.4
147.08052	7.8
147.11717	19.7
149.09558	8.3
157.10106	9.4
159.11621	4.4
163.11177	39.4
172.95213	4.6
175.11154	7.0
193.12242	26.5
211.13326	34.2
223.13293	15.6
227.12730	23.7
267.15775	8.1
269.17386	4.3
273.18573	8.1
283.15347	21.4
285.17068	31.8
291.19504	100.0
349.23706	6.8
365.23239	35.1
442.92322	4.0
463.26138	4.7
477.28177	24.2
557.34723	29.0
575.35760	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.4
53.03928	1.4
53.59196	0.3
53.72890	0.2
54.81593	0.3
55.01863	2.0
55.05505	11.1
57.03427	9.4
59.04984	1.3
60.04523	0.3
61.02917	4.6
67.05509	0.6
69.03413	11.4
69.17649	0.3
70.06581	2.2
71.01337	0.7
71.04977	34.5
72.08140	0.6
73.02890	3.8
75.04463	4.7
76.02212	0.7
79.05465	0.5
81.03403	6.2
81.07048	0.5
83.04965	81.0
84.04488	0.7
85.02889	100.0
86.09695	1.3
87.04466	2.3
87.76316	0.4
91.03947	1.3
91.05457	0.7
93.07072	0.4
95.04951	1.9
97.02871	19.7
97.06512	0.5
97.85862	0.3
99.04435	5.7
101.05997	2.0
103.03940	1.6
105.07029	2.1
109.02859	4.7
109.06527	0.5
111.04428	31.6
116.07088	0.5
121.06477	0.6
127.03890	12.7
129.05450	29.5
137.05969	3.1
145.04933	8.5
145.10085	0.6
146.08138	1.4
147.06508	12.0
147.07805	0.4
149.05951	0.7
150.55609	0.3
151.07497	0.4
153.05463	0.4
163.05956	2.3
163.07329	0.4
165.07617	0.7
169.13275	0.4
171.06500	0.4
179.04858	0.4
195.06535	0.5
207.06546	0.5
237.05255	0.5
237.07526	6.2
255.08521	5.6
269.13773	0.5
273.09644	11.8
287.05423	0.6
291.10754	0.5
308.08936	0.6
309.11703	7.2
383.98126	0.3
457.92297	0.3
524.23920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88568	0.6
54.81750	1.0
55.01871	0.9
55.05511	0.8
67.05487	3.0
69.07072	0.9
70.49445	0.6
79.05486	1.5
81.07058	3.7
83.04964	1.0
83.08630	0.7
91.05453	2.7
92.08687	0.8
93.07021	3.0
93.22762	0.6
95.08600	3.1
105.07037	0.9
107.08582	1.1
108.57587	0.7
111.08060	1.0
133.69240	0.7
135.11710	0.9
148.25053	0.8
162.55800	0.8
222.03674	0.8
230.16869	0.8
272.84894	0.9
277.21854	2.3
318.30887	0.9
331.18582	0.9
487.08719	1.0
609.41180	100.0
610.41473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4122
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
51.44545	2.0
51.46351	1.5
54.17842	1.6
62.93080	1.7
67.05511	3.9
69.04543	41.1
81.07056	3.0
82.36521	2.0
91.00333	1.8
91.06583	2.1
97.19215	2.1
210.67647	2.3
354.56299	2.3
407.78400	2.2
462.33154	2.4
591.40021	16.0
609.41235	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	610.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91753	0.9
53.03935	2.2
55.01865	4.0
55.05509	7.3
56.05005	1.5
57.03429	12.6
58.99577	15.3
61.02916	1.9
67.05501	7.6
69.03421	9.6
69.07063	1.5
70.06571	6.0
71.01349	1.2
71.04980	48.9
72.08134	6.6
73.02905	1.9
75.04456	4.9
76.02213	100.0
76.03983	2.2
79.05475	9.2
81.03403	66.5
81.07034	7.5
83.04981	11.7
83.08602	13.0
84.02476	1.1
84.04488	28.8
84.08122	1.1
85.02893	93.3
86.09689	2.4
86.99026	4.9
87.04461	1.8
88.02216	1.8
91.05466	11.3
93.07010	5.8
95.04947	22.1
95.08583	2.3
97.02875	14.0
97.06506	1.3
99.04440	1.6
101.05949	1.6
102.05549	1.4
103.03916	1.2
103.05492	1.2
105.07009	11.4
107.04953	4.3
107.08603	2.4
107.33122	0.9
109.02876	4.3
109.06548	1.2
109.25510	1.0
111.04435	8.0
111.08055	5.0
115.94487	0.9
116.01667	26.8
119.04882	1.0
119.08553	9.1
120.08062	5.0
121.10136	4.4
127.03901	9.9
129.05455	18.7
129.06978	6.1
130.04979	15.6
131.08542	6.3
133.06487	1.5
133.10100	5.2
135.11732	1.3
137.05968	6.3
137.09705	1.2
141.04774	1.3
142.03204	11.9
144.01123	14.0
145.04945	6.3
147.04489	3.8
147.06529	10.1
147.11696	5.6
149.09579	4.2
151.03748	1.3
157.10114	6.8
162.02173	39.6
163.05994	1.8
170.02702	4.4
175.11194	5.5
177.03214	1.8
177.05249	1.0
179.04822	46.7
185.03574	1.3
187.05356	1.4
193.12225	20.3
204.06639	1.3
233.05904	16.1
241.13872	1.1
245.05951	1.7
267.15851	9.8
273.09656	5.0
277.65842	1.1
285.16934	5.8
290.08203	1.4
299.05438	12.1
308.09073	74.5
309.11780	5.8
329.06509	4.6
353.06427	1.7
449.10742	1.4
460.38312	1.3
571.81824	1.1
574.24170	1.8
592.24664	1.6
610.23645	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05498	2.2
59.66431	1.4
60.97987	1.5
67.05490	7.1
69.07042	1.5
79.05495	5.0
81.07030	3.8
83.08608	1.8
86.08679	1.5
86.26427	1.4
89.75242	1.6
91.05489	2.2
93.07046	3.1
97.87268	1.5
109.10136	2.3
407.22516	2.1
421.23853	2.9
461.19836	7.3
462.20032	2.5
475.21194	9.3
476.21857	7.5
477.22833	6.9
485.23456	6.7
489.23077	3.2
499.21237	2.7
502.22723	2.3
503.24451	11.0
515.24634	2.9
521.25775	2.0
531.23364	13.4
550.25702	3.3
559.23480	7.8
563.26166	2.4
591.25397	11.3
609.26953	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	609.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.57349	0.5
56.54231	0.4
67.05489	1.2
70.06570	2.4
71.04948	0.7
72.08147	2.1
74.67202	0.6
85.02909	0.7
86.09692	1.0
94.06546	22.1
95.04958	1.0
118.06569	0.5
120.04448	1.2
120.08079	0.9
121.64870	0.5
122.05112	1.0
122.06001	29.8
123.06816	0.7
124.07574	4.9
125.64246	0.5
136.07553	0.8
138.05501	3.5
138.09116	55.6
140.07065	1.1
146.05983	0.9
148.07544	3.1
151.97777	0.6
165.96239	0.5
166.04961	2.4
166.08636	0.8
168.06630	0.8
174.05507	2.9
176.06985	0.7
179.08539	0.5
186.09048	0.7
191.08159	2.9
196.07562	0.7
199.08611	2.4
200.07112	3.2
201.10294	0.9
211.12231	1.3
212.09384	0.9
213.10248	4.5
214.08592	45.7
215.11731	0.7
222.09206	1.8
224.10632	2.9
225.10167	9.0
226.08575	2.5
226.10985	2.8
227.08119	3.1
227.11745	8.2
228.10220	2.2
229.09612	0.7
230.08090	3.1
238.10846	0.6
239.11717	13.6
240.10179	2.6
241.09706	6.6
241.13394	3.2
242.08113	11.1
242.10374	0.8
242.11864	0.7
250.08472	1.2
252.10098	2.8
253.09624	6.0
254.08037	3.4
254.10608	3.2
255.11241	28.0
256.09579	5.3
259.14417	4.5
260.09094	13.6
267.11230	14.5
268.09601	3.3
268.12115	1.1
269.12808	4.3
270.11194	5.7
271.10684	2.0
280.09393	0.7
280.98010	0.7
285.12292	3.3
287.13760	6.1
295.10696	13.4
296.09171	2.5
297.12332	2.8
298.10669	9.9
313.11758	100.0
314.12766	35.4
315.13361	16.4
316.11734	68.5
317.11954	0.7
331.12878	7.3
333.14392	19.3
422.16675	0.7
547.28400	0.7
573.27008	39.3
574.25421	4.0
591.28192	12.3
609.28076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.5
55.09059	2.6
57.03432	2.4
57.07072	22.9
58.29266	2.1
60.46159	2.3
66.46619	2.4
67.05494	38.4
69.07040	14.8
79.05476	30.4
81.03373	10.1
81.07040	39.1
83.04965	4.7
83.08611	11.3
85.10167	33.1
91.05463	26.7
93.07034	35.4
95.04934	11.6
95.08598	29.6
97.10111	3.5
105.06358	2.4
105.07003	19.4
107.04945	13.5
107.08569	19.5
109.10111	5.4
113.09637	27.0
117.06918	3.0
119.08556	11.9
121.10098	11.3
123.08025	5.5
131.08510	10.8
133.10112	12.1
133.60129	2.5
135.11642	8.9
143.08517	3.4
145.10086	5.0
147.11647	13.5
149.09547	5.2
149.13242	3.5
157.10065	3.0
159.11652	2.4
161.13248	2.6
163.11101	4.3
163.14738	3.5
165.12709	43.4
175.65492	2.6
247.20158	2.2
259.20761	4.6
259.84613	3.3
261.22156	2.6
277.21558	78.2
279.23026	3.4
295.22607	100.0
303.23065	2.4
425.33691	3.1
431.90579	3.3
443.35159	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	609.1809
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
55.01866	1.0
55.05492	0.9
57.03431	1.1
58.53881	0.5
61.02896	1.1
67.05475	0.9
67.57487	0.6
69.96633	0.6
70.06570	2.6
71.04967	3.2
73.35719	0.7
79.01832	0.9
79.07693	0.6
81.03383	6.2
82.68719	0.6
83.04954	0.9
85.02895	5.6
86.09698	1.0
87.04439	0.7
95.04936	1.6
97.06535	0.8
99.04424	1.0
99.07738	0.6
105.07014	1.1
109.02876	1.4
115.03965	0.6
119.08587	0.9
121.06418	0.7
127.03909	0.8
137.02338	5.8
137.05965	1.5
145.02902	0.8
149.05956	1.1
151.03870	14.3
163.03838	0.7
165.01834	1.5
168.42004	0.6
175.03893	0.9
175.11151	0.6
177.01869	1.4
177.05435	0.8
183.02934	2.7
187.07381	0.9
193.12213	2.5
197.58325	0.6
210.35278	0.7
217.04909	6.2
218.02159	0.9
229.04936	1.0
232.39294	0.8
233.04367	1.0
243.02768	2.7
243.06383	1.5
259.05963	2.9
261.03848	3.8
270.05157	0.9
271.05954	0.9
272.06705	4.5
280.28140	0.7
285.07498	3.4
285.16943	3.1
286.04596	3.4
286.08209	4.1
298.04669	15.4
299.05527	3.2
300.06207	10.0
301.06982	6.9
309.07480	1.1
310.04623	4.0
310.07990	2.0
311.05518	8.4
312.06226	7.2
313.06998	66.2
314.07761	25.2
315.08252	0.8
324.06268	4.6
325.06989	14.3
327.08569	13.9
328.05698	25.8
337.06766	1.5
338.04108	0.9
338.07794	9.0
339.08582	2.5
340.05609	1.0
341.06458	2.5
343.08051	100.0
352.05615	3.1
353.06238	1.9
353.10095	11.0
355.07925	5.1
357.09555	1.2
367.08005	21.1
373.09244	8.6
379.07965	0.8
381.09439	7.4
385.09027	2.9
397.09058	10.8
409.08997	11.4
427.10141	23.3
445.11200	19.7
463.12253	85.6
464.12817	1.3
608.97821	0.9
609.08252	1.1
609.18091	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05511	1.1
63.16235	0.6
67.05492	3.9
69.07067	0.9
81.07030	2.8
81.23293	0.7
83.08635	1.0
92.08635	1.7
93.07038	1.0
95.08623	1.0
109.10157	1.6
134.10965	0.7
292.50345	0.8
350.50055	0.8
377.17590	0.9
389.18030	1.1
390.18436	0.9
391.19296	2.7
401.17554	1.0
403.19537	1.0
404.20444	1.4
405.20819	4.0
406.21509	3.5
407.22260	5.1
415.19336	3.5
419.22617	2.7
421.24243	5.0
429.20743	3.2
430.22299	0.8
431.18286	1.1
432.19296	1.1
444.23166	1.3
447.17603	1.4
452.22018	1.1
457.24109	1.3
459.21799	3.3
460.19571	0.9
461.18961	6.5
462.19983	2.7
467.12930	0.7
475.20551	7.3
476.21371	7.5
477.22888	4.6
485.23434	11.7
486.20251	1.6
488.21524	0.9
489.22729	5.3
493.38934	2.9
494.26648	0.9
494.39008	1.6
499.21198	1.3
500.22287	1.2
503.24615	7.2
504.24677	0.9
507.23996	1.2
513.23022	1.0
515.24231	11.3
521.25116	3.6
523.14429	0.9
531.23895	16.4
549.25153	1.6
550.25439	4.7
559.23352	7.0
591.25946	27.5
609.26990	100.0
610.27448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.25705	0.5
53.41273	0.5
54.63071	0.5
55.80799	0.4
61.98003	0.6
68.31729	0.6
72.92726	0.5
91.35104	0.5
165.70065	0.6
191.14044	0.6
230.58742	0.6
286.13480	0.7
366.26080	0.6
387.15753	1.1
388.16748	1.1
389.17407	0.9
402.18268	1.0
403.19122	5.7
404.19962	0.8
405.20694	2.4
416.20319	0.8
417.21094	6.1
418.21405	3.1
419.22406	3.9
426.82562	0.6
430.21719	0.7
431.18256	10.4
432.18893	1.4
433.23911	12.0
434.24518	0.8
444.19055	1.0
445.19574	12.7
446.20718	5.8
447.21378	4.2
458.21002	0.9
459.21085	6.0
460.22449	16.5
461.23239	21.3
462.23859	0.7
473.23544	4.2
487.25372	2.4
492.24631	0.8
505.22577	3.7
506.26910	0.8
519.28070	2.3
532.24609	0.7
547.26929	62.2
548.27240	1.0
553.28516	0.7
574.74805	0.7
575.26868	0.8
579.29346	1.0
607.29059	100.0
608.29053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74785	1.5
52.97532	1.4
55.05479	2.9
56.37203	1.6
57.65162	2.0
63.83802	2.0
67.05482	2.9
69.07098	1.7
78.02989	1.7
79.05480	2.2
81.07024	4.2
81.51418	1.6
92.82019	1.8
95.08571	3.9
105.60596	2.0
115.08656	3.6
135.41399	2.3
135.98181	1.8
161.66435	2.2
180.68475	1.9
188.36359	1.8
190.45161	1.9
191.29285	1.8
293.21045	4.1
306.67645	2.3
377.41751	2.0
406.30347	1.9
460.22711	2.5
547.26727	10.5
607.29108	18.9
607.39398	100.0
608.40021	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	607.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81718	1.7
55.05515	2.4
57.31961	1.3
62.12690	1.4
71.08633	1.8
78.06747	1.5
79.05466	2.2
81.07042	2.6
82.19480	1.5
83.08589	1.6
95.04927	1.4
95.08592	1.8
119.08566	2.1
138.13690	1.6
269.72873	1.7
315.19257	2.0
357.99301	1.6
438.17905	1.7
439.31628	1.8
476.74493	1.8
547.26953	3.8
607.29315	11.0
607.39545	100.0
608.39709	3.2
611.46210	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75539	1.3
55.01860	10.4
55.05505	35.9
56.25138	1.4
60.57748	1.4
67.05492	29.2
68.34026	1.5
69.03400	3.3
69.07053	11.3
73.57937	1.7
76.18336	1.4
78.49802	2.0
79.05482	21.7
81.03401	2.8
81.07044	30.2
82.26181	1.5
83.04959	9.0
83.08611	24.8
85.02877	1.8
91.04961	1.8
91.05444	13.0
93.07044	18.4
93.50542	1.9
95.04949	61.6
95.08593	18.8
97.10152	26.0
105.07021	10.7
107.04953	9.5
107.08591	18.0
109.06512	4.1
109.10166	3.0
111.04437	6.6
111.08089	8.1
117.06991	6.9
119.08548	8.7
121.06503	3.0
121.10123	3.4
123.08067	1.9
125.09601	21.9
131.08543	6.7
133.10118	4.1
134.00208	1.6
135.08058	2.6
135.11700	2.3
145.10133	9.3
146.86028	1.7
147.08073	2.5
147.11671	2.4
149.09615	10.2
149.13130	1.7
151.11203	1.9
153.09070	20.0
159.11690	3.2
163.11142	17.0
165.12683	2.8
171.10120	3.2
189.11169	13.3
205.12126	2.5
223.13202	17.9
224.98560	1.7
246.74419	1.8
275.19983	11.3
293.21063	100.0
341.48166	1.9
464.10822	1.7
555.44025	2.5
573.44714	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	4.6
55.05507	37.0
67.05500	20.1
69.07053	10.6
70.41654	2.6
71.69604	2.6
79.05470	36.9
81.07038	47.4
83.04967	4.7
83.08588	17.3
88.96889	2.6
91.05463	20.7
93.07010	22.6
95.04943	21.1
95.08570	13.0
95.12322	2.6
97.06505	3.9
97.10155	25.1
105.07005	12.7
107.04976	5.3
107.08583	13.2
109.10157	11.9
111.04414	15.1
111.08041	4.1
117.06983	11.9
119.08590	20.5
121.06515	4.4
121.10083	6.7
123.08019	4.9
125.09573	13.9
131.08545	5.7
133.10059	3.6
135.08044	5.5
138.85143	3.4
144.74304	3.0
145.10078	14.1
147.08040	16.5
147.11702	3.3
153.09064	4.3
153.12711	3.2
161.09615	5.0
164.25909	2.7
165.09103	3.3
189.11279	9.3
197.86633	2.9
223.13155	3.5
227.12778	6.0
273.18405	17.2
291.19498	100.0
304.19443	3.4
398.31238	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	607.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97045	0.3
53.82987	0.3
54.38817	0.4
62.56081	0.3
64.51199	0.4
67.05480	0.5
69.07093	0.4
81.07027	0.5
85.97791	0.3
92.09269	0.5
109.10226	0.6
133.10010	0.4
161.14244	0.4
161.94592	0.4
163.01646	0.4
166.76743	0.5
178.98573	0.4
198.42671	0.5
209.10715	0.6
350.23303	0.4
375.15988	0.7
387.16492	0.5
388.16699	0.8
389.17609	3.9
390.18326	1.0
391.19226	1.9
401.17865	0.6
402.18808	0.7
403.19290	6.6
404.20251	2.7
405.20621	4.2
416.15778	1.5
417.16150	5.6
417.21094	2.6
418.17148	1.2
418.22348	1.1
419.22333	8.5
420.23285	0.5
430.17526	0.7
431.18094	10.1
432.19183	4.4
433.19943	4.4
443.18643	0.6
445.20114	8.0
446.20923	10.6
447.21609	10.4
448.22330	0.5
459.17285	0.7
459.22424	0.8
460.18039	0.5
461.19598	1.9
463.21063	0.7
471.20328	0.5
474.20258	4.9
475.21228	5.0
478.23743	0.6
487.21555	0.9
491.19989	3.5
501.23062	0.7
505.22507	0.5
519.23962	17.2
547.23315	16.0
548.23529	2.1
579.26007	7.3
607.25421	100.0
608.25769	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	607.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05447	0.2
71.82365	0.2
79.75024	0.2
80.82552	0.3
86.09679	0.2
92.08642	0.2
92.63945	0.2
93.06960	0.3
94.06527	0.2
96.08073	0.9
124.07556	3.5
137.05910	0.3
138.09088	2.3
161.05846	0.3
164.06970	0.4
177.98967	0.2
225.10187	0.4
226.10939	0.4
241.13252	0.5
245.09171	0.4
246.09436	0.4
259.14349	1.0
261.08563	1.2
270.09824	0.2
274.12927	0.3
275.15393	0.4
277.62262	0.2
283.10617	0.3
284.11411	0.3
285.12299	4.6
286.12732	0.3
288.11243	2.7
289.11728	0.9
290.12747	0.4
292.14178	0.5
301.11893	0.4
302.12607	1.6
303.13516	1.4
304.14264	1.0
305.15170	1.9
306.15634	0.4
316.14450	0.9
317.11633	0.4
317.15189	7.4
318.12183	0.9
318.15546	1.9
319.15961	0.4
320.13965	0.3
320.17456	1.7
322.11737	0.5
322.15344	0.3
332.13901	0.8
332.17535	2.4
334.16055	0.2
335.16507	0.2
336.13272	2.7
336.17133	1.5
337.13971	0.3
337.17969	0.5
338.18573	1.2
346.15527	0.4
347.12521	3.3
347.16272	0.6
348.13217	3.3
348.16943	0.4
349.13812	1.7
350.14798	2.3
350.18643	0.9
351.16537	0.3
360.13181	1.0
360.17307	0.3
361.13995	2.5
362.11252	1.3
362.15073	2.2
363.15701	2.9
364.12442	0.5
364.16440	10.5
365.16919	2.3
366.18115	1.8
369.51791	0.2
374.14841	0.4
376.12662	2.6
376.16544	10.7
377.13269	1.0
377.16895	1.5
378.13638	0.4
378.17932	8.2
379.16077	0.9
390.14355	2.3
391.15057	4.5
392.15622	2.5
392.19815	0.9
393.16135	0.4
394.17545	3.5
395.18106	1.1
396.13885	0.4
396.19092	12.2
404.15912	1.8
407.14700	1.1
410.16840	0.3
422.17020	68.7
423.17371	11.7
424.17853	10.9
425.17154	0.4
435.14432	0.5
437.15402	0.4
438.20419	1.8
442.19516	3.9
450.16452	0.4
468.17584	55.6
469.17883	12.5
470.18182	10.3
538.16016	0.3
561.26904	1.3
589.25873	0.3
606.26233	5.3
607.27448	100.0
608.27716	3.0
615.14154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.0
53.03933	1.5
53.49308	0.8
55.01864	10.8
55.05505	38.6
55.75690	0.8
57.03425	1.9
58.15335	0.7
65.03920	1.0
67.05141	1.6
67.05490	36.0
68.79917	0.8
69.03403	4.4
69.07053	13.6
71.04955	5.0
79.05476	35.9
79.82809	0.8
81.03384	4.2
81.07038	69.2
83.04967	11.0
83.08601	22.4
85.02901	2.1
85.06539	1.3
91.05460	19.7
92.08755	1.3
93.06480	1.6
93.07024	24.3
95.04948	19.9
95.08589	21.9
97.06510	3.5
97.10146	26.2
105.07003	16.8
107.04937	9.4
107.08576	23.5
109.06463	7.7
109.10133	10.3
109.82362	0.8
111.04418	16.2
111.08062	5.1
115.05350	0.9
117.06996	17.1
119.08543	29.7
121.06493	10.2
121.10126	10.7
123.04366	1.4
123.08045	13.0
123.11683	1.7
124.52793	0.9
125.09599	18.2
128.06239	1.4
129.06985	5.0
131.08540	12.8
131.13100	1.0
133.06456	5.1
133.10080	7.4
135.08069	7.2
135.11670	6.5
137.09583	4.4
142.07777	1.0
143.08531	5.4
145.06456	1.2
145.10114	19.6
147.08031	14.3
147.11659	4.4
149.09584	7.6
150.59543	0.9
153.09100	6.0
153.12738	5.5
155.08409	1.1
157.10075	3.7
159.08061	2.0
159.11661	5.0
161.09595	7.3
161.13242	1.3
163.11145	12.3
165.09081	6.6
169.10060	1.1
171.11577	1.9
173.09543	2.1
173.13179	1.3
175.11107	1.6
181.12143	7.5
185.13208	1.8
187.11124	1.2
189.11185	12.3
191.10686	4.9
223.13284	6.0
227.12746	4.3
227.17848	1.4
245.18965	1.7
249.14792	6.0
255.17334	1.5
263.19913	1.5
273.18420	21.2
278.23892	1.1
291.19482	100.0
293.14633	1.2
309.20459	6.5
334.53674	1.0
433.23840	1.1
433.32788	1.1
445.20340	1.6
460.22156	1.2
535.40863	1.9
547.26630	3.5
553.42267	4.9
571.43231	1.7
607.29120	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	607.2909
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.22003	0.3
64.89177	0.3
68.74149	0.3
80.52378	0.3
81.81242	0.3
92.08648	1.8
110.17022	0.3
172.63847	0.4
222.23544	0.4
253.38684	0.4
283.95905	0.4
311.14359	0.4
389.17737	0.5
390.18518	0.5
401.17419	0.5
402.18307	1.5
403.19351	2.6
405.21027	0.7
416.20419	0.5
417.16229	0.8
417.21478	3.0
418.21625	1.8
419.22226	4.0
431.18185	8.0
432.19388	1.8
433.23843	8.8
434.24573	1.7
445.19720	8.4
446.20648	4.9
447.21484	4.6
459.21271	5.0
460.22293	10.7
461.23361	12.0
473.23740	2.7
474.24161	0.6
477.22711	0.6
487.24963	1.6
492.25497	0.6
505.21655	2.8
506.26169	0.5
519.24097	1.9
532.24878	0.7
533.25299	0.6
547.26941	29.9
548.27472	0.7
566.61798	0.4
575.26831	0.6
607.29047	100.0
608.29352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01869	7.8
55.02081	0.8
55.05505	42.9
57.03422	1.5
57.07061	1.5
57.61450	0.8
58.43512	0.8
59.04977	0.8
63.91543	0.8
66.92403	0.8
67.05494	25.1
69.03413	3.7
69.06750	1.0
69.07056	13.0
71.04976	1.9
71.08607	1.3
79.05053	1.6
79.05472	27.9
81.03396	5.2
81.06028	0.8
81.06600	1.5
81.07040	31.6
83.04970	9.4
83.08598	21.4
85.02882	1.3
85.06528	2.0
87.04422	1.2
91.05458	15.3
93.07021	25.5
95.04948	75.2
95.08595	16.0
97.06519	1.6
97.10152	31.7
99.08066	1.2
105.07030	9.9
107.04948	7.1
107.08575	23.3
109.06502	7.6
109.10131	7.0
111.04403	6.4
111.08078	7.1
113.09545	1.0
114.66941	0.9
117.07008	7.3
119.08568	10.6
121.06479	5.4
121.10098	9.0
123.08047	3.7
125.09610	18.4
129.06969	1.8
131.08536	10.0
133.10127	6.7
135.08026	3.9
135.11691	8.0
137.09579	1.5
139.11278	1.1
143.08492	1.0
145.10141	11.6
147.08022	1.7
147.11612	5.2
149.09636	13.3
149.13179	1.3
151.11143	1.1
153.09097	20.4
155.08549	1.1
159.11635	5.0
161.13210	1.2
163.11128	19.4
165.12732	5.0
167.10701	1.0
171.10130	1.8
173.13153	1.1
177.12631	1.0
187.11092	1.9
189.11166	9.1
205.12274	1.6
223.13243	15.2
227.12709	1.1
247.20551	1.2
257.19031	1.3
261.22086	2.0
275.20102	12.9
277.21494	3.9
279.23230	1.2
293.21054	100.0
294.21448	1.5
311.21976	1.7
403.19016	1.4
405.20691	1.4
417.20999	2.0
431.18314	3.2
431.31610	1.4
433.23810	5.5
445.20172	4.9
446.20721	1.8
447.21854	1.5
459.21460	4.6
460.22409	7.0
461.23138	6.5
473.23639	1.3
547.26819	17.5
553.42169	4.4
571.43347	2.1
606.27740	1.7
607.29053	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	606.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.7
53.03940	5.7
53.67464	1.0
55.01860	7.9
55.05507	36.8
57.03453	1.2
57.07073	11.3
58.84930	1.1
65.03909	1.4
66.39679	1.2
67.05142	2.1
67.05495	52.1
69.03413	2.0
69.07064	25.5
71.04967	3.2
79.05476	51.1
81.03417	16.3
81.07040	59.9
83.04969	12.3
83.08610	25.8
85.10173	24.3
87.92093	1.2
91.05467	56.6
93.07024	58.0
95.04952	44.5
95.08007	1.9
95.08590	43.9
97.06521	7.1
97.10152	10.1
99.08048	1.4
105.07021	56.5
107.04936	17.4
107.08586	34.6
109.06504	8.0
109.10165	14.0
111.08088	2.1
113.09634	15.9
117.06995	22.5
119.08559	42.8
121.06445	5.1
121.10123	20.5
123.08060	7.0
123.11683	5.8
125.09615	4.9
129.07005	12.4
129.54413	1.2
131.08548	30.9
132.20607	1.4
133.06467	1.9
133.10106	36.4
135.08044	7.2
135.11700	10.9
137.09570	6.1
141.06995	2.4
143.08537	8.4
145.10085	27.8
147.08064	2.4
147.11681	21.1
149.09612	35.2
149.13261	5.3
151.11183	6.0
155.08556	8.0
157.10117	10.5
159.08069	1.5
159.11710	14.5
161.09575	1.9
161.13194	11.7
163.11174	28.4
163.14743	1.8
165.12724	38.4
169.10104	5.7
171.11633	8.6
173.09561	2.3
173.13235	7.9
175.11194	3.1
175.14824	1.9
177.12685	2.6
179.14345	2.5
181.12166	2.0
183.11685	1.8
185.13217	6.6
189.11208	2.4
189.12767	1.8
193.12225	1.6
197.13228	6.1
213.16364	3.2
221.15439	2.1
223.13219	13.2
229.19443	1.9
231.21130	1.8
239.17934	7.4
243.20758	1.4
247.20473	1.9
249.87714	1.3
257.18866	13.2
257.34152	1.5
259.20624	4.8
261.22198	1.6
275.20026	100.0
276.20618	2.3
277.21591	44.2
279.23123	6.0
293.21021	34.4
295.22635	43.9
301.21481	2.7
303.23193	1.7
329.44882	1.4
423.32736	2.4
441.33389	6.7
443.35379	2.7
457.32776	1.9
535.41595	1.7
553.42706	9.0
571.43597	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	605.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61285	5.9
53.03946	7.9
55.05500	42.1
57.07069	36.0
63.46296	7.6
65.59672	6.4
67.05492	57.3
69.07051	7.8
75.56903	6.4
76.27470	7.0
76.56966	6.2
78.44605	6.3
79.05467	46.7
81.07044	62.2
83.04972	11.2
83.08626	17.2
85.10172	31.8
91.05463	39.6
93.07021	35.2
95.04950	45.5
95.08597	34.3
97.10185	10.7
98.74644	6.6
105.07016	38.4
107.08575	38.0
113.09628	17.6
119.08569	15.3
120.27506	6.7
121.10153	12.5
123.08005	7.8
131.08539	13.6
149.09631	14.5
163.11174	15.0
165.12711	31.2
257.34821	7.9
275.19946	12.7
277.21664	58.7
293.21103	46.5
295.22705	100.0
324.75949	8.6
429.04248	7.4
507.40506	14.5
510.33957	9.0
605.39764	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	605.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08633	2.3
54.33109	2.1
54.81530	3.1
57.03443	2.5
57.27647	2.5
67.05489	4.1
67.18166	2.5
73.61256	2.3
79.05473	2.9
79.25929	2.7
93.07017	3.6
93.70342	2.9
101.32193	2.5
125.41423	2.4
126.36146	2.6
136.66286	3.0
175.79660	2.5
229.14342	3.3
230.29849	2.4
279.99008	2.6
305.17188	12.1
309.56067	3.2
366.02441	2.9
446.01895	2.9
605.32758	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	605.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23108	3.3
55.01861	6.1
55.05506	48.1
57.07068	5.1
58.57837	3.0
59.00873	3.0
63.46303	3.4
64.04456	3.2
67.05501	42.7
69.07040	20.7
70.00144	3.3
71.08617	18.9
79.05480	55.0
81.03391	6.5
81.07048	50.4
83.04917	5.2
83.08596	24.3
84.02412	3.3
89.01288	3.3
91.05445	34.8
92.09401	3.5
93.07023	53.9
95.04951	63.2
95.08594	30.0
97.06534	6.8
97.10146	17.4
99.08089	5.2
105.06995	24.2
107.04910	12.8
107.07920	3.3
107.08560	30.7
109.06514	5.1
109.10152	14.0
115.48890	3.4
117.07012	4.1
119.08549	17.9
121.10108	18.5
123.08090	6.5
125.09604	7.5
131.08521	4.4
133.10101	8.9
135.11710	24.9
145.10156	5.9
149.09576	16.5
149.13297	5.3
151.11162	8.7
159.11716	5.1
161.13243	5.7
163.11150	15.4
179.14273	50.8
189.11194	6.6
193.26193	3.7
223.13300	14.8
275.20074	8.3
277.21582	45.4
293.21106	100.0
295.22552	4.3
323.31955	4.6
342.06555	3.9
439.47418	3.9
462.17523	4.2
507.40012	6.0
605.41595	4.5
606.52307	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	605.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02192	0.5
54.06176	0.4
61.13630	0.5
79.09825	0.6
80.40682	0.5
81.35818	0.5
128.41687	0.6
180.07393	0.6
204.23148	0.6
206.59183	0.7
245.09241	0.6
275.15381	2.4
285.12326	5.0
288.11249	7.0
290.13037	0.7
302.12988	2.4
304.14490	0.8
305.15274	3.8
314.64059	0.7
317.15182	12.6
320.17487	0.9
332.17578	2.3
336.13452	3.1
346.11682	0.7
347.12579	5.7
348.13370	4.8
350.15018	1.4
360.13333	1.0
361.14197	3.8
362.11270	3.2
362.15213	2.9
363.15887	2.6
364.16467	12.7
376.12723	4.0
376.16684	13.3
378.18222	1.3
390.14520	2.8
391.15109	5.9
392.16022	2.7
394.17581	2.4
396.19107	2.5
404.15820	1.4
422.17014	97.8
423.17343	2.5
442.19601	1.1
468.17584	100.0
469.17917	1.0
605.25940	62.6
606.26093	2.8
608.43774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55780	0.5
59.57547	0.5
73.15076	0.6
81.77248	0.5
150.17760	0.7
196.90634	0.6
225.10173	0.7
275.15442	1.0
285.12363	3.8
285.64139	0.6
288.11179	6.3
289.12140	0.7
291.13934	0.7
302.12918	3.0
303.13849	0.7
304.14404	1.0
305.15195	3.7
316.14386	0.7
317.15137	11.5
318.12317	0.7
320.17612	0.8
332.17603	2.3
336.13513	3.2
340.68369	0.7
347.12549	4.2
348.13290	5.1
349.14243	0.8
350.14862	1.3
360.13367	0.8
361.14301	4.5
362.11240	2.1
362.15097	3.1
363.15872	2.8
364.16483	14.3
365.17285	0.9
376.12717	5.1
376.16660	12.3
378.18115	2.5
390.14487	3.2
391.15146	6.3
392.16074	2.9
394.17661	3.7
396.19073	1.3
407.15103	0.7
422.17010	100.0
423.17468	3.0
435.13950	0.8
442.19739	1.0
468.17575	99.4
469.17877	1.2
564.47174	0.6
605.25964	63.9
606.26300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.26
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05461	0.5
84.48690	0.2
84.96062	0.3
91.05422	0.3
92.09283	0.4
97.06454	0.4
112.45971	0.3
112.58514	0.2
113.69874	0.3
119.04847	0.5
122.05976	0.6
136.07480	0.6
164.06955	2.1
241.13197	0.3
257.09009	0.3
258.13516	0.4
259.14325	3.1
262.13193	0.5
277.15549	0.5
279.17276	0.3
290.12973	0.3
290.16446	0.4
291.17203	1.5
292.14502	0.4
301.11807	0.4
303.13690	0.4
305.15277	0.3
306.15936	0.3
307.17001	0.4
310.15436	0.5
317.15112	0.5
320.17737	0.6
321.14771	1.3
322.15402	3.0
323.16119	0.6
329.11346	0.4
330.94550	0.3
332.17496	1.1
335.16211	0.3
336.13248	1.8
336.17017	2.7
337.17761	4.8
338.15140	0.4
338.18573	3.3
347.12579	0.3
349.14142	0.4
350.14810	4.1
350.18597	2.2
351.15622	0.4
352.16553	0.6
353.17377	0.6
362.14481	0.3
364.16437	5.0
365.17239	9.2
366.14728	0.5
366.18149	4.9
368.19611	1.8
376.16534	1.5
378.18100	3.3
380.15964	0.6
381.16840	1.4
383.18646	0.5
396.19098	51.5
397.19296	1.2
398.20297	0.3
409.16373	2.7
411.17728	1.6
412.18005	0.4
422.17010	10.1
422.22675	0.4
424.18344	0.6
427.17276	0.5
439.13226	0.3
442.19632	100.0
443.20334	1.8
468.17560	10.9
605.25934	31.1
606.25836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11932	0.2
56.02082	0.2
60.86565	0.2
61.02901	0.3
63.34370	0.2
70.06539	0.5
78.47248	0.2
79.05453	0.3
79.25327	0.3
85.02889	0.3
91.05426	0.6
92.48190	0.3
95.04950	0.3
108.08072	0.5
119.04844	0.4
127.95100	0.3
131.04849	0.5
136.07504	0.7
137.05905	1.4
138.09010	0.4
147.04314	0.6
151.03914	0.3
164.06978	2.3
199.12332	0.3
200.12927	0.3
235.31345	0.3
236.62350	0.3
236.64857	0.3
249.11023	0.3
259.14383	3.9
262.13364	0.5
279.17276	0.3
285.12283	0.6
287.10168	0.6
290.12808	0.3
291.14124	0.4
291.17142	2.5
292.14441	0.4
305.15128	0.4
306.16031	1.2
310.15497	0.7
315.13339	0.5
317.15112	0.6
320.17426	1.3
321.14651	0.4
322.15378	2.3
323.16290	1.1
332.17480	0.7
336.13287	2.1
336.16977	3.3
337.14056	0.5
337.17676	4.6
338.14795	0.6
338.18381	3.4
345.50842	0.3
348.13339	0.7
349.14096	0.4
350.14844	4.1
350.18604	2.6
351.15781	0.6
352.16354	1.1
353.16974	0.4
364.16385	5.1
365.17261	8.7
366.14206	1.2
366.18033	5.1
368.19708	1.3
376.16388	1.7
378.17996	3.8
380.15518	0.5
380.19528	1.3
381.16779	1.2
383.18222	0.4
396.19073	53.4
397.19464	0.6
409.16302	3.5
411.17868	1.0
412.18805	0.6
422.16977	13.3
424.18701	0.4
426.19968	1.2
427.17288	1.3
442.19604	100.0
443.20111	2.0
450.16928	0.4
468.17496	15.0
605.25867	39.5
606.26202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83727	0.4
66.14075	0.5
67.05476	1.0
69.03378	0.8
69.07011	0.6
79.05437	0.6
89.10376	0.4
90.99693	0.4
91.05426	0.9
94.06555	3.9
95.04929	0.5
105.07010	0.8
107.00690	0.5
108.08092	1.8
109.06459	0.6
110.05971	2.6
112.07560	0.5
117.06964	0.8
119.08539	2.1
122.06006	6.3
124.07504	1.8
131.25922	0.5
132.08061	0.6
134.09602	3.1
135.08015	3.3
136.07541	3.4
137.05930	2.2
138.09068	0.6
140.07062	4.0
145.06407	0.5
150.09131	0.6
152.10646	0.5
154.08603	11.1
160.07541	0.9
162.09108	5.3
163.07471	2.4
164.06984	2.3
175.08600	1.9
176.09276	0.7
180.10155	15.1
187.08629	2.9
189.10146	1.8
190.08575	5.2
199.08606	2.3
200.09445	0.5
201.06540	16.5
201.10262	1.0
202.07339	8.1
208.09663	15.3
213.10156	1.8
214.10941	0.9
215.08134	6.6
215.11635	1.0
216.08850	2.6
217.09683	32.4
218.08119	0.8
219.11205	3.3
227.08128	2.0
227.11736	2.9
228.12457	0.8
229.13312	1.9
233.09209	2.1
234.09933	2.8
235.10699	12.3
241.09697	7.2
242.10454	2.6
243.07602	15.5
243.11278	2.3
245.09137	2.4
245.12863	0.5
255.11293	1.8
256.11938	0.7
257.09201	0.9
257.12784	9.1
258.11240	3.6
259.10696	2.1
260.07889	1.8
261.08646	100.0
262.09058	1.0
269.09140	2.9
273.12302	5.9
274.13049	1.1
275.13934	2.9
283.10657	5.6
285.08530	1.0
287.10190	12.8
300.11008	2.1
301.11755	48.8
302.12170	0.7
305.07361	0.9
313.08215	0.9
315.09653	2.7
323.12643	0.6
334.15720	0.6
379.16687	0.8
396.19208	0.6
397.17459	2.3
398.17041	1.1
404.16101	0.5
408.15387	3.7
420.15390	0.7
422.16968	4.5
424.18521	7.8
425.16922	3.3
426.16409	2.0
440.17993	0.9
442.19641	24.7
450.16498	18.4
468.17554	59.0
469.17911	2.1
587.24707	0.8
605.25934	74.6
606.26270	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	604.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81236	4.7
53.03922	6.4
55.01862	9.6
55.05509	56.0
57.07061	25.2
64.50269	5.7
67.03678	5.3
67.05492	78.5
69.07042	39.4
71.04984	5.5
71.08601	8.4
79.05468	64.3
81.03394	13.4
81.07030	66.0
83.04972	21.5
83.08602	46.3
85.06570	5.0
85.10170	49.2
89.05972	6.1
91.05459	75.5
93.07020	70.6
95.04958	77.3
95.08591	53.9
97.06519	14.1
97.10147	8.1
105.07008	63.9
107.04948	41.1
107.08574	35.5
109.06504	10.5
109.10162	23.2
113.09618	46.9
117.06997	27.0
119.08563	52.9
121.06472	8.4
121.10130	32.7
123.08041	7.1
125.09605	9.6
129.07019	13.9
131.08513	25.9
133.10124	35.8
135.11621	8.3
142.04550	5.9
143.08536	7.9
145.10123	30.3
145.96623	7.0
147.11662	28.9
149.09613	60.0
151.11082	7.9
159.11676	11.3
163.11183	43.8
165.12692	70.0
175.11189	9.4
209.08661	6.0
223.13251	9.2
239.17920	13.0
259.67383	6.1
275.20053	70.6
277.21591	75.2
293.21127	48.7
295.22650	100.0
400.26807	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	604.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67967	0.7
53.03937	3.4
53.36057	0.8
55.01863	15.1
55.05505	52.1
57.03431	4.6
57.07082	1.9
59.04989	1.3
61.86807	0.8
65.03934	0.9
67.05144	1.6
67.05494	39.7
69.03418	5.7
69.07056	17.0
71.04977	3.3
72.96017	0.8
75.09234	0.8
79.05474	52.9
81.02998	0.8
81.03404	7.1
81.07037	80.4
83.04969	19.5
83.08601	25.8
85.02915	1.4
85.06511	1.3
87.04478	1.1
91.05465	32.7
91.55437	0.9
92.08645	1.8
93.07025	42.1
95.04950	28.1
95.08588	20.6
97.02828	1.6
97.06499	6.4
97.10146	33.6
99.04433	1.3
99.08081	1.4
103.05442	1.6
105.03335	1.2
105.07016	24.8
105.36752	0.8
107.04944	10.5
107.08579	27.6
109.06511	10.3
109.10138	11.0
111.04436	15.1
111.08059	8.8
111.95617	0.8
113.06049	0.9
115.05446	0.9
117.07001	16.5
119.04894	1.2
119.08553	38.6
121.06476	13.9
121.10139	13.5
123.08054	16.1
123.11697	1.4
125.09605	22.2
128.06201	1.5
129.06982	9.7
130.07797	1.5
131.08543	19.8
133.06485	5.4
133.10112	11.5
135.08031	8.2
135.11646	8.2
137.09634	4.3
141.06998	1.5
143.08536	8.2
145.06509	1.4
145.09018	1.1
145.10106	19.6
147.08023	18.0
147.11668	5.6
149.09615	8.3
149.13239	1.4
153.09093	8.7
153.12730	5.8
155.08444	1.0
157.10110	9.2
159.08031	2.0
159.11685	7.2
161.09628	9.9
163.11131	14.6
165.09058	7.9
169.10081	1.4
171.11691	5.1
173.09589	5.5
173.13194	1.5
175.11166	3.9
181.12218	7.2
185.13213	4.0
187.11168	1.7
187.14908	1.1
189.11186	12.4
191.10672	5.0
195.11671	1.8
195.98862	1.0
203.14313	1.3
205.12242	1.6
209.11635	1.6
223.13278	4.2
227.12672	7.0
227.17863	1.2
234.29652	1.0
237.18597	1.1
245.19020	4.8
249.14842	5.0
255.17453	4.6
261.22043	2.0
273.18466	24.2
275.20074	1.7
291.19489	100.0
292.20044	1.1
309.20743	6.4
416.38263	0.9
533.39569	3.4
551.40686	4.3
569.42004	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	605.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.81648	0.7
55.05497	1.1
57.03426	0.6
61.52538	0.6
67.05499	1.6
69.03417	8.2
79.05498	1.4
80.34840	0.7
81.03422	0.8
81.07017	2.2
83.04958	1.2
84.34125	0.6
85.02886	4.0
87.04419	0.8
87.75408	0.7
90.93488	0.6
91.05472	3.0
93.07021	2.7
95.04959	2.5
97.02882	3.2
97.06513	4.1
100.73079	0.6
103.92269	0.6
105.07038	4.5
107.08599	4.2
109.02901	2.5
109.06501	2.5
109.10196	0.8
111.04418	4.7
117.06956	2.2
119.08535	6.2
121.06508	4.4
123.04392	1.5
123.08058	2.7
127.03937	1.5
128.06197	0.6
129.07018	1.4
131.08553	6.0
133.10130	1.4
135.08037	100.0
137.05968	1.4
139.07541	0.8
141.07033	0.9
142.07799	1.0
143.08571	4.4
144.09363	2.6
145.06505	1.5
145.10124	3.2
147.08043	4.3
149.05960	1.1
151.07524	1.4
154.07790	0.8
155.08559	0.9
156.09279	6.0
157.10110	3.5
158.07268	4.1
159.08014	7.3
159.11696	14.1
160.08778	1.1
161.06035	1.3
161.09613	1.6
163.07559	1.5
165.09155	1.0
169.10088	3.0
171.08057	1.4
171.11674	4.2
172.08791	11.0
173.09595	19.7
175.07521	1.6
175.11174	1.6
181.10100	2.6
184.08864	2.8
185.09608	0.9
187.11154	47.9
189.09138	1.1
189.12724	1.3
197.09654	3.0
199.07770	1.0
199.11165	11.1
203.10666	15.1
212.08409	2.9
215.10646	24.6
217.12206	7.5
227.10587	6.6
233.11697	37.1
234.11859	0.8
245.11684	23.0
254.22482	0.7
261.05405	1.0
263.12735	45.3
279.06381	2.1
303.06696	0.9
321.07657	0.9
524.67731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	26.2
57.25737	0.8
70.06574	1.5
71.95238	3.6
72.95994	1.0
74.97618	1.1
79.05470	1.0
81.07023	1.0
84.16171	0.8
88.07621	1.8
91.05469	1.0
97.96805	3.9
102.09167	0.9
115.97828	1.8
128.98564	3.9
133.98839	1.2
137.02725	0.9
146.99640	1.9
149.02373	4.3
151.94302	1.0
160.00470	1.8
165.00679	1.1
169.01750	1.3
171.03262	3.3
171.06038	0.9
173.01266	1.0
175.02776	1.5
177.04396	1.8
183.03247	1.6
185.01170	2.0
185.04869	4.1
187.02771	1.5
189.04355	5.0
193.05042	6.1
194.05310	1.3
195.06975	2.1
197.04851	2.0
198.05580	1.1
200.20099	3.6
201.04414	2.1
201.20415	1.0
203.05913	8.2
211.06398	7.8
213.07970	41.5
214.05057	7.7
215.05930	1.7
216.06725	3.5
217.03848	0.8
217.07494	0.9
219.05415	1.1
221.04700	1.0
223.02788	1.4
223.06476	1.8
225.07990	4.1
227.05923	1.5
229.07530	6.0
231.09007	68.8
231.89272	1.0
232.06200	2.0
239.05974	1.7
241.07462	7.5
243.09105	3.6
249.09976	1.6
251.05991	3.3
252.06534	6.9
257.06976	1.3
259.08411	6.3
261.39313	1.1
269.06750	7.1
270.07767	6.6
279.09818	0.9
279.12665	5.9
285.11572	1.1
287.07907	1.4
288.08868	5.1
297.13766	1.6
300.10431	0.9
303.12573	13.1
321.13660	54.8
339.14740	100.0
340.15051	1.3
344.15280	1.2
353.16736	1.0
357.15765	9.3
362.16400	2.0
386.09534	1.5
585.30225	1.6
603.31763	65.0
604.31897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58797	3.0
54.41859	2.6
55.01864	8.3
55.05490	23.1
57.03410	2.9
57.07055	17.0
67.05491	37.2
69.03419	3.4
69.07039	17.1
70.99270	2.7
71.08595	3.3
79.05476	36.1
81.03387	15.9
81.07039	100.0
83.04962	13.6
83.08602	13.8
85.06487	4.1
85.10161	18.1
91.05481	26.8
93.07009	23.8
95.04941	16.7
95.08592	29.2
97.10139	5.8
97.29245	3.6
105.07000	24.8
107.04955	7.4
107.08563	14.5
109.06503	29.9
109.10137	14.2
111.04472	4.4
111.08142	3.2
113.05946	3.4
113.09628	14.3
115.05459	3.3
117.07031	13.3
119.08571	32.1
121.06491	7.9
121.10110	4.9
123.08073	3.4
125.09709	3.9
129.06911	4.5
131.08521	7.0
133.10097	15.4
133.17589	4.0
135.07974	3.4
135.11710	4.8
145.10115	14.8
147.08040	15.4
149.09531	6.5
157.10072	4.1
163.11153	14.2
164.11369	3.7
165.09152	3.6
165.12721	17.8
175.11214	4.7
181.12148	4.5
193.12225	4.7
206.06197	3.7
273.18402	14.4
275.20020	3.3
277.21616	24.6
291.19473	73.5
295.22571	31.8
309.20639	3.5
380.88409	4.4
467.29254	3.7
505.38480	21.9
519.20129	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58797	3.0
54.41859	2.6
55.01864	8.3
55.05490	23.1
57.03410	2.9
57.07055	17.0
67.05491	37.2
69.03419	3.4
69.07039	17.1
70.99270	2.7
71.08595	3.3
79.05476	36.1
81.03387	15.9
81.07039	100.0
83.04962	13.6
83.08602	13.8
85.06487	4.1
85.10161	18.1
91.05481	26.8
93.07009	23.8
95.04941	16.7
95.08592	29.2
97.10139	5.8
97.29245	3.6
105.07000	24.8
107.04955	7.4
107.08563	14.5
109.06503	29.9
109.10137	14.2
111.04472	4.4
111.08142	3.2
113.05946	3.4
113.09628	14.3
115.05459	3.3
117.07031	13.3
119.08571	32.1
121.06491	7.9
121.10110	4.9
123.08073	3.4
125.09709	3.9
129.06911	4.5
131.08521	7.0
133.10097	15.4
133.17589	4.0
135.07974	3.4
135.11710	4.8
145.10115	14.8
147.08040	15.4
149.09531	6.5
157.10072	4.1
163.11153	14.2
164.11369	3.7
165.09152	3.6
165.12721	17.8
175.11214	4.7
181.12148	4.5
193.12225	4.7
206.06197	3.7
273.18402	14.4
275.20020	3.3
277.21616	24.6
291.19473	73.5
295.22571	31.8
309.20639	3.5
380.88409	4.4
467.29254	3.7
505.38480	21.9
519.20129	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00974	2.2
53.03924	5.2
55.01859	5.4
55.05266	3.0
55.05505	43.6
57.07063	14.4
64.83714	2.5
67.05151	2.4
67.05495	70.4
69.03419	3.4
69.07059	26.5
71.04976	3.1
71.08617	34.8
79.05482	74.9
79.05913	5.2
81.03408	21.5
81.07043	100.0
83.04955	17.0
83.08609	25.2
84.87410	2.3
91.05467	48.1
93.03386	3.0
93.07028	84.3
95.04953	25.3
95.08598	52.0
97.06504	11.6
97.10123	18.8
98.98386	3.3
99.08073	11.0
105.07021	39.3
107.04933	19.0
107.08588	46.0
109.06514	12.1
109.10146	21.6
111.04481	3.5
111.08092	3.3
117.07007	18.2
119.08549	43.9
121.06466	14.6
121.10109	33.9
123.08024	11.4
123.11706	3.4
125.09602	6.4
129.06993	5.2
131.08600	18.2
133.06485	4.1
133.10063	18.4
135.08037	3.8
135.11673	28.1
137.09581	4.8
143.08563	4.1
145.10089	21.0
147.08028	12.4
147.11694	4.7
149.09601	14.4
149.13252	4.3
151.11150	4.4
153.09102	2.8
155.08633	2.7
157.10144	5.9
159.11623	5.6
161.09546	4.0
161.13210	4.8
163.11183	11.5
165.09154	2.8
171.11607	3.4
179.14264	69.2
189.11200	4.8
191.84586	2.5
193.12260	4.5
197.95811	2.8
244.38702	2.8
245.18802	3.0
272.51315	2.8
273.18372	16.0
275.20026	6.0
277.21646	56.0
291.19489	72.3
505.38541	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	603.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
64.33576	1.2
67.05499	16.5
69.03406	1.8
69.07057	1.3
70.06583	2.3
79.05463	1.2
80.04968	1.0
81.07018	1.0
84.88165	1.1
85.02914	1.7
91.05473	4.4
91.27062	0.9
92.08660	1.3
93.07015	4.3
93.58040	1.0
94.06545	22.4
95.04942	5.7
96.79666	1.2
98.97540	1.2
107.04929	1.4
108.08096	2.3
110.06018	4.7
112.07575	1.6
112.59592	0.9
113.05968	1.9
116.98591	1.2
119.04913	1.2
119.08598	1.5
122.06003	52.0
122.06853	2.0
123.04527	1.1
124.07533	1.2
126.60422	0.9
127.03887	1.2
130.03090	1.1
131.04874	1.5
132.08119	1.3
134.09618	1.9
136.07556	31.2
137.05945	4.6
138.09163	4.0
140.07025	11.6
144.08105	2.5
154.08636	16.0
162.09125	6.2
164.07069	6.2
167.25833	1.1
175.08659	5.4
178.08638	5.6
180.10170	12.1
185.10704	1.5
187.08720	4.0
190.08629	4.9
197.10826	1.5
199.08675	1.6
200.09543	1.5
201.06548	4.4
202.07375	2.0
202.10857	1.1
208.09732	4.2
211.08650	4.5
212.09418	4.7
213.06584	1.9
213.10161	12.8
214.07312	1.3
214.10968	2.5
215.08119	11.6
215.11694	1.9
216.08896	7.0
217.09677	11.4
225.10297	1.6
226.11041	4.3
227.08211	2.2
227.11745	16.4
229.09689	2.0
229.13390	4.5
232.08302	1.3
233.09230	2.4
234.09967	10.3
235.10709	11.6
239.08192	7.5
240.08719	2.9
241.06004	10.5
241.09622	13.3
243.07564	2.2
243.11282	7.0
245.12779	1.2
247.14380	1.8
253.09651	8.8
254.10443	7.0
255.11279	31.8
256.12054	1.6
257.09097	5.7
257.12778	23.6
259.07056	10.8
259.10706	6.5
260.07901	4.8
261.08673	18.0
261.12335	2.2
267.07593	16.3
269.09192	14.8
269.12799	7.7
271.10736	6.4
272.11774	2.5
273.12265	19.7
274.13181	5.5
275.13849	26.8
281.09189	32.2
282.09784	1.3
283.10748	5.2
285.08633	14.7
287.07141	1.4
287.10260	10.6
287.13577	3.2
293.05554	1.6
295.07205	4.6
295.10736	1.5
299.10214	37.8
300.11014	2.4
301.11768	32.0
305.07715	1.3
306.12488	1.2
313.08078	4.4
313.11636	3.1
317.11676	1.3
318.12338	2.1
318.16083	2.6
320.14163	1.9
323.13818	1.2
332.13745	2.1
336.16898	1.3
346.15564	1.6
348.13156	1.7
348.17081	4.4
349.15091	2.3
350.15237	1.4
355.47159	1.3
360.13171	1.8
362.11182	1.3
362.15109	1.5
364.16510	2.4
366.18048	5.7
374.14874	1.6
376.12515	2.3
376.16656	7.3
377.14096	2.6
378.14313	2.3
378.18494	1.7
380.16052	1.5
392.16016	4.1
394.17661	15.2
395.15332	4.5
396.19525	1.4
402.14420	6.1
404.16037	8.8
405.14371	2.2
410.17087	2.4
412.18640	10.7
420.15475	16.6
422.17056	55.9
430.13318	1.4
436.18506	2.4
438.16489	17.5
440.18130	46.5
442.19647	8.5
448.14914	26.7
450.16519	2.0
453.18314	2.0
454.19803	5.9
466.16003	80.0
468.17590	17.2
557.24609	1.3
575.25116	1.6
585.23376	34.2
596.10547	1.3
603.24371	100.0
604.24072	1.4
618.48572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
53.68969	0.6
54.81319	0.8
55.15201	0.7
58.62172	0.6
67.05489	11.2
67.25329	0.7
69.03423	1.1
69.07072	1.0
69.82445	0.7
71.99748	0.9
79.05447	1.2
81.03396	1.2
81.07049	0.8
91.05468	5.6
91.39212	0.9
92.28516	0.8
93.05775	0.8
93.07032	2.0
94.06544	18.5
95.04954	5.0
98.06002	1.0
108.08114	6.5
109.06519	0.9
110.06039	3.7
117.07055	1.0
122.06007	44.5
124.07521	1.0
126.05451	0.8
134.09657	3.3
135.08066	0.9
136.07568	25.9
137.05948	1.1
138.05499	1.6
138.09117	1.8
140.07043	10.5
147.04477	0.7
154.08621	13.1
159.38165	0.8
160.07535	1.0
162.09125	4.5
163.07576	0.8
164.06999	6.8
172.82237	0.8
175.08661	3.3
178.08537	5.8
180.10168	8.4
185.10774	1.3
187.08658	4.5
190.08641	5.1
199.08696	1.7
199.12393	1.2
201.06648	3.6
201.10312	1.4
202.07361	3.3
208.09721	3.4
211.08617	3.3
211.12212	0.9
212.09450	1.3
213.06548	1.2
213.10210	9.4
214.07440	1.9
214.11052	3.4
215.08142	10.0
215.11937	1.6
216.08942	5.0
217.09698	9.5
225.10185	3.8
226.11057	1.5
227.08223	4.5
227.11732	11.9
229.09708	3.0
229.13373	3.6
231.11313	1.1
233.09222	1.7
234.09981	7.6
235.10703	9.7
237.06657	0.8
239.08070	7.1
240.09032	3.6
241.06047	6.8
241.09729	11.7
242.06799	1.9
243.07593	3.6
243.11320	3.9
245.12866	1.7
252.06407	0.9
253.09639	8.4
254.10539	5.1
255.11253	31.0
257.09186	6.0
257.12802	18.6
259.07108	8.7
259.10513	6.0
260.07901	5.2
261.08630	12.4
261.12314	4.5
267.07669	17.1
269.09201	14.3
269.12747	5.7
271.10818	5.4
272.11639	1.5
273.12271	21.4
274.13068	5.6
275.13831	25.6
281.09155	25.8
282.12491	1.3
283.07394	1.0
283.10635	5.7
285.08612	9.0
287.10266	10.2
287.13956	4.4
292.14459	1.3
295.07129	4.4
299.10187	29.9
299.13409	1.3
300.10864	3.0
301.11774	34.5
303.14026	1.6
305.07520	0.9
308.14206	1.4
313.08157	4.7
313.11667	1.4
315.09857	1.3
318.16000	1.3
325.11584	1.0
327.09659	1.2
331.14087	1.1
332.14029	3.6
334.15530	1.3
344.13672	1.0
346.15402	2.9
348.13330	1.6
348.17065	3.7
349.15143	1.4
350.14880	1.6
359.13339	1.3
360.13400	1.7
361.14426	1.1
363.15851	1.3
364.16681	2.7
366.18225	4.1
374.15146	1.5
376.12537	1.5
376.16806	7.2
377.14304	3.5
378.14420	1.2
379.16180	1.2
384.19257	3.4
392.16019	3.9
394.17642	13.1
395.15262	3.7
396.19415	1.3
402.14410	5.1
404.16129	5.8
405.14294	1.9
408.19366	1.3
410.17065	3.5
412.18546	7.8
420.15573	17.0
422.16992	47.3
423.15775	4.0
430.14035	3.8
432.15823	1.0
436.18777	3.7
438.16422	16.4
440.18091	47.6
441.18665	1.0
442.19659	8.1
448.14966	31.6
450.16348	1.7
454.19794	5.2
466.16016	65.4
468.17575	17.1
575.24969	1.2
585.23315	32.2
603.24377	100.0
604.24573	3.6
614.83582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15872	0.4
59.42547	0.4
60.39373	0.4
65.10901	0.5
69.07086	0.4
70.06584	1.2
71.64905	0.5
77.76990	0.5
84.08138	0.9
85.02891	1.1
91.33940	0.5
95.01080	1.2
97.02734	0.7
97.06535	0.6
98.86198	0.6
113.02145	2.4
126.02893	0.7
127.03878	0.5
137.06007	1.1
141.05280	0.7
148.04750	0.5
152.37119	0.6
157.04681	0.5
167.03198	0.9
185.04207	5.1
201.03679	10.5
203.05287	3.2
204.07500	0.7
227.43242	0.5
259.08084	0.8
301.08844	0.9
319.09937	4.3
329.08228	5.6
347.09396	16.6
347.13184	0.8
363.08951	3.4
365.10568	3.4
374.01248	0.5
405.13708	2.4
421.13074	2.5
441.17426	4.4
474.46078	0.6
603.22516	100.0
604.23035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
53.46384	1.1
55.01865	8.0
55.05507	55.0
56.99688	1.3
57.03430	2.4
57.07059	1.4
67.05495	42.6
69.03423	1.9
69.07061	21.8
71.08630	1.4
79.05475	37.1
81.03400	14.6
81.07039	44.7
83.04984	10.5
83.08607	39.7
87.64705	1.4
91.05466	36.8
92.08613	3.2
92.64434	2.1
93.07028	42.2
95.04400	2.7
95.04952	47.9
95.08592	30.5
97.06502	8.4
97.10139	7.1
105.07018	37.8
107.04954	21.3
107.08575	25.1
109.06503	7.5
109.10159	10.5
111.08056	7.4
117.07007	18.6
119.08566	29.3
121.06473	6.6
121.10130	22.2
123.08050	3.4
123.11676	1.9
125.09593	2.7
129.06976	3.1
131.08557	21.3
133.10101	19.6
135.08015	3.3
135.11681	12.2
137.09601	6.0
139.11185	1.5
143.08549	3.1
145.06485	2.2
145.10104	32.5
147.11714	13.1
149.09596	29.1
151.11143	5.7
152.95320	1.5
155.08562	6.0
157.10100	7.7
159.11676	12.9
161.09631	2.4
161.13257	6.1
163.11171	43.8
165.12723	2.9
169.10049	8.4
171.11659	3.4
173.09552	6.5
173.13185	2.8
175.11221	2.4
177.12810	2.6
183.11681	2.1
187.11119	2.5
189.11116	3.4
191.10582	2.1
213.16428	1.5
215.14369	1.6
223.13251	18.6
229.19540	2.5
239.17938	8.5
247.20377	2.6
257.18909	12.8
262.91211	1.7
275.20032	100.0
293.21063	52.8
303.16495	1.5
311.21463	1.7
386.02325	1.6
400.86810	1.6
472.34586	1.8
486.82349	1.7
584.49304	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	602.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47499	1.7
53.03953	2.5
55.01866	9.9
55.05510	56.9
57.07075	2.0
57.10859	1.4
64.78789	1.4
67.05148	1.9
67.05496	47.8
69.03426	2.0
69.07058	21.1
71.04961	1.9
74.86091	1.4
79.05483	40.2
81.03403	18.4
81.07047	44.3
82.09325	1.6
83.04967	10.7
83.08614	39.8
85.02908	2.5
85.06546	2.8
91.05466	42.5
93.07030	50.1
95.04955	56.1
95.08588	33.1
97.06521	9.8
97.10146	12.1
104.75945	1.5
105.07032	47.1
107.04946	23.0
107.08568	27.6
107.38478	1.7
109.06519	11.2
109.10167	15.6
111.08089	7.1
117.07009	13.9
119.08586	37.0
121.06487	8.5
121.10132	25.7
123.08041	6.5
125.09646	4.0
128.06239	2.2
129.06963	7.1
129.36496	2.0
131.08546	21.7
131.39755	1.7
133.10117	27.2
135.08054	9.7
135.11641	11.0
137.09590	2.4
143.08611	3.3
145.06607	1.9
145.10126	30.2
147.08054	2.8
147.11662	14.8
149.09624	37.6
151.11226	3.0
155.08548	3.3
157.10118	3.2
159.11707	14.8
161.13202	2.8
163.11165	41.1
165.12776	3.0
169.10114	2.4
171.11694	3.7
173.09657	3.8
173.13228	6.5
183.11670	6.7
187.11182	2.8
197.13237	4.1
201.12862	2.2
216.37900	1.6
217.40071	1.8
223.13292	17.0
239.17976	10.8
257.18985	14.0
275.20026	100.0
293.21078	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	9.4
57.90800	1.0
58.06589	1.9
67.05479	1.8
69.07054	1.8
70.06577	25.8
71.08617	2.9
72.08129	1.1
79.05456	1.2
81.03410	1.1
81.07045	2.3
83.27458	1.0
84.04400	1.2
88.07614	28.2
92.09232	1.7
93.07047	1.6
101.02295	1.1
102.09159	22.8
105.07003	1.7
111.13412	1.2
147.04500	1.6
149.01138	2.9
149.02324	71.4
175.03920	2.2
193.04932	81.3
200.20056	57.6
200.52409	1.3
219.06476	2.3
237.07529	25.8
297.03952	4.9
313.07135	2.3
341.06418	15.5
359.07553	9.6
385.09061	29.5
391.51212	1.2
429.11655	25.6
513.22852	1.2
602.29456	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	602.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
54.81426	0.4
55.01868	3.0
55.05502	6.3
57.03408	0.4
57.07049	1.5
58.99553	1.7
67.05149	0.4
67.05491	11.2
69.06758	0.3
69.07056	4.6
70.06552	0.4
71.04964	0.5
71.08626	0.5
73.01117	0.4
74.00651	2.9
76.02193	2.3
76.03977	0.4
79.05060	0.4
79.05473	7.0
80.04986	2.2
81.03379	1.5
81.05742	0.5
81.07035	22.9
82.30563	0.3
83.03683	0.4
83.04933	2.0
83.06067	2.0
83.08612	3.1
84.04494	7.1
85.06550	0.6
85.10154	2.0
86.00636	3.1
86.99013	0.8
87.02668	0.5
88.02190	1.3
91.05458	5.6
93.07025	10.2
94.06528	1.9
95.04929	2.3
95.08584	15.5
97.01083	0.7
97.06490	2.1
97.10135	0.7
98.09653	0.8
99.01370	1.7
99.05570	0.4
100.02172	3.7
105.07005	5.4
107.04879	0.5
107.08583	5.9
108.04424	0.3
108.08078	0.5
109.06498	2.3
109.08910	0.3
109.10121	4.1
110.09673	0.3
111.02655	1.6
111.08070	3.1
112.02161	3.0
113.00558	0.5
113.09611	0.7
114.03730	11.4
116.01640	4.7
117.07049	0.7
119.08533	3.3
121.06486	0.5
121.10137	3.1
123.07991	0.8
123.11681	1.6
124.11154	0.7
125.04182	0.5
126.03706	0.9
127.05750	0.4
129.06599	2.2
130.04956	0.5
131.08553	2.0
133.10126	2.4
133.15076	0.4
134.09641	0.5
135.08052	0.4
135.11638	2.2
136.03880	0.5
136.11188	0.8
137.04147	0.4
137.09554	0.4
137.11946	0.5
139.03214	0.6
139.05769	0.4
140.01682	0.4
141.07309	0.4
143.02687	0.7
143.08745	0.4
144.01167	1.9
145.06094	0.4
145.10074	1.5
147.11644	3.7
148.11234	0.4
149.09564	0.8
149.13234	2.8
151.11147	0.4
152.14328	0.5
153.06404	0.5
153.12718	1.5
156.08417	0.5
158.02789	0.3
158.09868	0.5
159.11705	0.5
161.13220	0.8
162.02185	2.2
163.11131	1.2
163.14793	0.6
164.14284	0.6
165.12695	3.1
167.08849	0.5
168.08438	0.4
169.04321	1.2
169.09192	2.8
170.09950	100.0
171.08412	0.4
171.11620	0.4
171.75197	0.4
173.13223	3.1
175.11113	0.5
175.14746	0.6
177.12720	0.5
181.06067	0.6
181.10391	0.4
182.10004	0.4
183.08313	0.3
185.03770	3.0
187.05356	0.5
189.03293	1.4
190.16071	0.3
191.14296	1.4
199.06880	0.4
209.15331	2.0
210.13023	0.6
211.10817	0.9
215.04800	3.5
216.05553	4.5
219.16518	0.4
231.04263	4.1
233.05981	0.5
236.16576	0.4
249.22104	0.8
271.11081	1.3
272.11829	19.5
273.12469	3.0
277.21561	7.8
285.12656	0.5
292.22644	0.4
294.24323	1.9
295.22665	2.1
306.24338	0.4
307.21085	0.4
308.09125	0.6
308.20483	0.6
309.18787	0.6
324.23514	0.5
325.21942	0.5
326.21304	0.9
334.21860	2.3
335.20221	2.9
352.22971	14.2
353.21405	0.6
370.24039	7.7
380.22534	0.8
393.92505	0.3
409.24966	1.5
411.13702	0.4
455.25644	89.4
527.28052	3.6
571.17603	0.6
584.29651	1.9
602.30841	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	601.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51333	0.8
53.00300	5.4
53.03926	1.9
55.01869	1.8
55.05504	70.1
57.03422	14.6
57.07067	43.0
58.77956	0.9
59.04986	1.3
63.87533	0.9
65.03929	1.0
67.05488	38.3
69.03394	1.2
69.07054	100.0
71.04972	5.5
71.08247	1.4
71.08614	22.7
73.06523	2.7
73.29227	0.9
79.05475	22.9
81.07037	59.0
83.04974	8.5
83.08604	69.8
85.06512	1.9
85.10167	10.1
91.05442	6.7
93.07027	36.0
94.04579	1.1
95.04948	2.0
95.08582	48.2
97.06507	23.6
97.10149	41.8
99.08044	1.2
101.06008	2.4
105.06994	6.7
107.08575	29.6
109.10146	21.6
111.08062	11.7
111.11705	8.7
112.80708	1.0
115.07543	1.8
117.06966	1.9
119.08571	5.7
121.10115	33.0
122.10497	1.3
123.11691	11.6
125.09583	10.8
131.08519	2.2
133.10139	2.6
135.11656	26.3
137.13257	5.3
139.11145	11.6
143.08521	1.4
145.10060	4.9
147.08096	1.2
149.13240	16.2
153.12720	5.9
155.08578	1.2
157.10162	1.4
160.08772	1.5
163.14761	11.7
167.14377	3.9
169.10187	1.5
171.13794	1.4
177.16394	2.3
181.15825	1.6
183.11649	1.2
185.15263	1.4
219.21033	12.9
221.15411	2.3
237.22092	24.0
255.23074	14.9
311.22882	1.2
311.25732	56.4
329.26791	89.8
391.02942	1.1
473.43387	1.6
491.44220	7.0
509.45670	1.7
541.95282	1.4
565.48187	14.3
583.49231	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70463	0.7
53.00302	1.0
53.03933	1.3
55.01868	1.6
55.05508	46.5
57.03429	13.7
57.06813	1.3
57.07071	27.0
59.04982	0.8
67.05495	26.2
69.03433	2.7
69.07057	59.9
71.04987	3.8
71.08616	15.0
71.90400	0.7
73.06539	1.7
79.05473	14.6
81.07043	37.6
81.07534	1.3
83.04964	4.0
83.08605	47.5
85.06525	1.7
85.10178	5.1
85.50890	0.8
88.27216	0.7
91.05466	6.5
93.07034	25.8
94.07348	0.9
94.89107	0.8
95.04914	1.7
95.08587	30.5
97.03138	0.8
97.06514	14.1
97.10150	24.1
101.06000	1.3
105.07011	10.4
106.07303	1.0
107.08586	22.0
109.06500	1.2
109.10149	13.7
111.08051	8.1
111.11704	4.5
115.07571	0.8
116.56448	1.0
117.07012	1.8
118.83198	0.8
119.08561	8.3
121.10125	16.8
123.08075	3.9
123.11676	6.2
124.08372	0.7
125.09605	6.5
128.06204	0.9
129.06950	1.6
129.09085	1.6
130.49635	0.9
131.08543	2.0
133.10139	5.2
135.02333	0.9
135.07971	1.1
135.11667	19.3
137.09540	0.9
137.13239	3.4
139.11157	6.6
142.07787	2.0
143.08545	3.5
145.06491	1.3
145.10164	5.8
147.08014	1.8
149.13226	10.4
153.12755	5.0
155.08551	1.7
157.10112	6.2
158.10452	1.5
159.08084	1.2
159.11668	4.6
160.08803	1.6
160.12022	1.0
161.09555	0.8
163.14786	5.8
165.09108	1.9
167.14351	1.7
169.10094	1.5
170.10623	1.3
171.11696	3.8
173.13255	0.9
177.16368	1.6
181.10190	1.0
181.15822	1.3
182.10985	0.9
183.11665	1.2
185.13144	0.9
195.11632	1.2
196.12323	1.5
197.11549	0.8
197.13219	1.7
207.11810	0.9
209.13281	1.1
211.14763	1.1
219.20975	6.8
221.13309	1.2
221.15292	6.2
222.15839	0.8
234.16098	1.6
237.22081	14.0
237.88687	0.9
244.31618	1.0
254.66389	0.8
255.23154	6.6
300.20288	1.0
311.25787	21.6
329.26813	100.0
352.24017	0.9
372.43045	1.1
421.36880	1.0
473.43512	1.4
474.26538	0.9
491.44589	4.6
509.45880	1.0
521.36023	3.5
565.48108	4.6
583.49231	27.8
601.41779	1.7
601.67188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09292	6.3
55.05501	65.2
57.03427	4.5
57.07069	35.5
61.61644	4.2
67.05495	57.8
69.06706	7.5
69.07053	100.0
71.08606	7.4
71.35835	4.1
76.38332	5.0
79.05473	21.0
81.07041	66.4
83.08598	58.1
83.93680	4.6
85.10168	4.7
93.07034	40.2
95.08591	65.2
97.06525	21.8
97.10159	39.6
102.45058	4.6
107.08564	29.6
109.10140	23.2
111.08080	10.4
121.10125	33.2
121.15651	4.3
123.11739	7.3
135.11633	34.5
137.13187	5.9
149.13222	22.4
163.14755	5.9
164.44751	4.9
170.46278	5.0
219.21109	18.7
237.22049	39.8
255.23073	6.2
272.93613	4.5
311.25882	8.5
329.26807	28.3
473.43631	6.6
491.44199	25.3
509.45453	8.8
565.48358	8.0
583.49207	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30376	2.1
52.95550	2.1
55.01861	2.5
55.05489	17.9
57.07055	13.8
59.04985	6.1
59.88259	2.6
62.14597	2.6
67.05482	24.9
69.03408	16.7
69.07039	10.0
71.27895	2.5
72.81693	2.5
79.05469	27.6
81.07021	37.8
83.04939	6.4
83.08591	6.9
85.06520	5.9
89.06007	4.8
91.05461	41.8
93.07024	69.9
95.04934	21.0
95.08588	41.4
97.06494	3.7
99.48589	2.6
102.77339	2.9
105.06361	4.6
105.07011	72.9
105.80108	3.5
107.08562	37.4
109.06525	12.6
109.10102	22.8
111.08060	3.8
117.06988	20.8
119.08540	73.3
121.06492	11.4
121.10126	31.9
123.08023	29.3
125.05965	3.0
128.06183	5.5
129.06955	20.3
130.07761	11.0
131.08548	34.6
133.10098	38.3
135.08017	17.7
135.11722	5.5
137.09616	25.2
141.07005	5.0
142.07736	15.5
143.08510	31.3
144.09323	13.8
145.10089	58.8
145.28294	3.0
146.10538	3.2
147.08015	35.7
147.11681	12.5
149.09613	5.6
151.07487	14.2
154.07719	3.0
155.08554	14.2
156.09254	15.3
157.10068	43.3
159.08018	4.3
159.11684	30.8
161.09558	13.0
161.13222	6.1
163.11185	13.3
165.06984	3.9
165.09065	66.7
167.08572	5.7
169.10078	11.5
170.10899	4.0
171.11653	27.1
172.12321	3.9
173.09550	4.6
173.13184	11.1
175.11130	5.6
175.14809	3.2
176.11551	3.1
179.08574	3.5
180.09346	4.6
181.10126	11.3
181.12137	4.0
182.10858	4.6
183.11612	16.3
185.13246	13.2
189.12660	3.9
193.10078	6.7
193.12169	4.2
195.11594	14.1
196.12375	3.5
197.13200	14.2
199.10841	3.7
203.14304	24.7
206.10922	4.2
207.11644	5.7
207.13606	4.9
209.13263	5.4
210.13631	3.1
211.14755	6.9
221.13312	6.6
221.15302	100.0
223.14737	6.1
229.11942	2.9
235.14735	3.6
237.16315	3.5
239.17851	3.3
247.14716	3.8
265.15778	3.5
285.18301	3.3
286.19244	3.3
287.19937	4.7
335.09747	2.9
352.23825	6.5
353.24188	6.3
423.64194	3.1
491.34937	13.3
520.35413	17.7
521.35919	37.9
583.41028	13.9
601.42328	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	601.3733
Annotation	Phorbol 12-tiglate 13-decanoate
Peak:m/z	Relative Intensity
55.01860	2.3
55.05508	12.3
57.03431	1.0
57.07066	8.8
58.40936	0.9
59.41321	0.7
61.61097	0.8
67.05495	9.4
68.89581	0.8
69.03404	1.3
69.07052	17.2
70.65870	0.8
71.04990	1.0
71.08608	4.8
79.05468	10.3
81.07034	14.8
83.04954	2.1
83.08614	12.2
89.06009	5.5
91.05467	6.5
92.09370	1.9
93.07012	14.0
95.04945	3.9
95.08585	10.9
97.06509	5.5
97.10161	6.5
103.05453	18.3
103.52528	0.8
105.06993	8.9
107.08583	8.9
109.10139	7.0
109.61246	1.0
111.08101	3.7
115.05420	4.2
115.34405	1.0
117.06996	5.2
119.08566	4.0
121.06546	1.6
121.10133	7.9
123.04429	6.4
123.11674	1.0
125.09589	1.1
128.06195	8.5
129.06969	1.0
131.04900	39.9
131.08559	1.7
133.06476	4.8
133.10081	2.0
135.04391	57.7
135.08012	5.0
135.11673	5.6
137.05989	10.1
139.11098	1.3
141.06950	1.1
143.08545	16.7
145.06480	1.8
145.10153	4.3
147.04382	1.3
147.08037	2.0
149.05971	20.4
149.13231	3.8
154.92535	1.0
155.08513	1.4
157.10083	1.3
159.11624	1.2
161.05951	88.6
161.09592	6.0
163.07512	100.0
163.14806	2.2
167.14297	1.4
171.07994	11.1
175.07518	4.8
177.09035	3.3
179.08490	1.0
189.09067	33.6
207.08162	2.7
207.10156	14.0
219.21022	3.7
221.15305	1.0
237.22113	5.7
255.23000	1.2
265.09109	1.0
283.09607	8.3
285.11038	7.0
293.11569	1.1
311.12814	9.2
329.13681	3.5
364.05118	1.0
369.65924	1.0
381.87408	1.0
411.62097	1.0
461.32663	1.2
601.36005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01867	13.5
55.05506	37.6
57.07046	1.3
67.05493	41.4
69.03431	2.0
69.07051	17.4
71.04980	2.9
79.05473	64.3
80.43076	1.5
81.03001	1.4
81.03413	15.9
81.07038	100.0
83.04961	13.9
83.08598	25.7
85.02897	3.9
85.06527	2.6
89.06017	2.4
91.05462	41.5
92.08695	3.1
93.07023	53.0
93.07573	2.9
95.04945	45.8
95.08578	29.2
95.76675	1.4
97.06528	3.9
97.10153	12.2
105.07013	46.2
107.04953	11.3
107.08575	29.1
109.06507	39.1
109.10160	15.4
111.04418	16.4
111.08045	6.5
113.05981	2.1
117.06999	26.2
119.08567	48.6
121.06509	13.3
121.10130	23.2
123.08019	8.1
125.06008	2.6
125.09624	6.1
128.06128	2.4
129.05569	1.7
129.06963	9.4
130.07751	2.2
130.26414	1.5
131.08571	22.4
132.51559	1.6
133.06479	2.1
133.10110	21.3
135.08051	9.1
135.11674	10.1
137.09622	2.2
141.06900	2.2
142.07710	3.2
143.08589	10.7
145.06430	2.5
145.10103	29.6
147.08049	17.2
147.11670	9.2
149.09616	26.6
153.12717	2.1
155.08501	1.7
157.10097	16.9
159.07962	2.2
159.11644	10.7
161.09570	10.0
161.13269	2.9
163.11127	32.4
165.09076	8.8
169.10126	3.5
171.11659	3.1
173.09521	2.6
173.13222	2.9
175.11272	1.8
181.12219	8.2
183.11632	2.9
185.13136	2.7
187.11223	2.7
191.10686	3.0
196.12390	1.9
197.13190	2.4
199.10953	1.6
203.14380	2.0
217.15634	1.6
221.15352	6.7
223.13223	12.2
227.12657	1.9
249.14735	1.8
257.18982	2.7
273.18433	19.5
275.20047	22.4
291.19464	84.9
293.21097	12.8
503.37250	8.7
601.36725	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	601.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49277	0.4
55.01855	1.2
55.05491	1.0
67.05482	2.2
69.03403	0.9
69.07044	0.5
71.14318	0.4
74.00623	0.7
76.03978	2.6
76.68219	0.5
79.05468	2.5
80.05016	3.8
81.07037	6.2
83.06113	0.6
84.04479	10.3
84.81844	0.5
85.01097	0.6
85.02886	0.7
85.04015	5.7
86.06039	3.4
87.04445	30.6
91.05456	0.7
92.01665	1.2
92.82349	0.5
93.07030	0.9
94.06607	0.6
95.08579	4.8
97.01092	2.4
97.06517	0.6
98.06036	0.5
99.05539	2.5
101.04234	2.1
105.07032	0.6
106.06532	0.6
107.06027	0.7
112.02168	32.9
112.03906	1.1
113.03478	1.0
119.07290	2.2
120.08055	1.4
122.05948	0.6
123.02637	1.0
123.08009	2.5
124.02158	1.2
125.04163	0.7
126.03691	0.7
129.06813	0.6
130.04971	7.6
131.04504	2.7
133.10037	0.7
135.02626	0.9
136.02203	0.5
136.07542	2.1
138.03671	2.4
140.05295	0.6
141.14253	0.5
143.08517	0.7
145.06079	1.1
147.02649	0.6
148.07521	4.2
149.03934	0.5
151.05678	1.2
152.01628	1.1
152.05255	15.7
159.02179	1.0
160.00606	0.6
160.11142	1.2
161.09583	0.7
162.09132	0.8
164.01596	2.9
166.08609	5.9
168.04761	10.6
174.09113	0.8
177.03262	8.7
177.14275	0.5
178.03217	0.6
180.04735	27.2
181.05992	1.1
185.03748	8.0
192.04623	4.0
192.10179	2.1
194.06227	0.7
198.05794	72.3
201.11847	0.6
204.04742	2.6
205.06862	0.8
206.06262	3.2
206.11745	5.6
209.05128	0.5
220.04337	1.2
220.07890	1.1
224.07350	1.2
231.04294	11.4
232.04213	2.2
232.13475	0.6
233.04980	0.7
234.09424	3.1
239.13007	2.4
240.10510	1.0
240.13646	0.7
246.09427	3.8
246.14769	9.6
248.10973	2.2
256.13272	0.9
257.14066	0.7
262.12531	7.7
264.10342	0.7
266.11972	0.8
272.10907	9.1
276.10480	2.4
280.13544	7.3
288.06470	2.3
290.12030	13.2
294.16940	6.9
296.18497	2.2
298.14676	0.8
307.62363	0.6
308.13049	15.2
316.13657	2.4
326.14136	100.0
328.15460	0.8
334.14545	2.3
344.13107	3.8
351.17184	1.1
352.15704	20.0
362.14151	13.0
369.18253	1.3
379.16672	5.7
380.15109	11.1
397.17880	4.6
401.20654	1.2
402.21362	0.7
407.07574	0.7
417.17847	0.7
435.19653	0.9
454.20221	0.6
472.21008	30.3
508.21008	0.9
526.21564	1.0
532.44080	0.6
583.24158	1.1
601.25275	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	601.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.5
57.07080	1.2
67.05492	5.7
69.07054	3.9
70.99049	0.8
76.23566	0.8
76.80688	0.8
79.05469	4.4
81.07029	11.8
83.08597	1.5
85.06512	1.1
91.05459	4.3
93.07037	7.2
95.08591	4.7
97.06528	1.0
105.07037	3.8
107.08576	3.8
109.10200	1.4
111.64443	1.0
119.08565	4.8
121.10126	4.5
131.08559	2.3
133.10136	1.7
137.09528	1.1
143.08539	1.4
145.10184	4.0
157.10110	1.4
177.09045	1.1
200.28613	1.0
215.23965	0.9
257.12616	1.0
291.15536	1.3
303.00516	0.9
333.20245	8.7
335.17871	1.1
389.22906	3.7
601.36926	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	601.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14692	0.3
54.55666	0.4
55.01884	0.4
57.03429	1.8
61.02915	1.1
64.76134	0.3
69.03417	3.4
70.06590	0.7
71.11353	0.4
72.08123	0.4
74.16168	0.4
81.03403	1.0
83.01098	0.8
84.04510	0.5
85.02893	5.8
95.01077	2.1
96.01834	0.5
97.02869	1.9
103.05457	12.1
109.02858	0.7
112.01385	0.5
113.02110	3.1
127.03916	0.8
131.04912	35.4
132.05424	0.5
133.06479	0.8
137.05960	2.2
141.05246	0.5
145.06444	0.5
147.04422	0.5
148.05180	7.5
157.04764	0.8
161.06001	0.8
162.06821	0.6
163.07518	8.8
167.03117	0.4
175.07600	1.0
177.73619	0.4
185.04205	3.9
185.05768	5.8
201.03712	0.9
203.05290	0.8
243.08472	0.4
245.06245	0.5
259.07819	8.9
297.21106	0.4
306.78659	0.4
316.03571	0.4
421.14755	1.8
423.16003	4.6
601.20966	100.0
602.21155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.21
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28115	0.4
52.40795	0.4
54.81553	0.5
55.00307	0.4
57.03424	1.3
59.40369	0.4
61.02911	0.8
66.33195	0.5
69.03413	4.3
70.06584	2.2
70.90990	0.5
81.03421	0.5
82.43149	0.5
84.08106	0.6
85.02885	5.6
95.01059	0.9
96.01828	0.8
97.02877	3.0
103.05451	12.0
109.02896	0.8
112.01334	0.9
113.02096	4.0
126.15002	0.5
127.03866	1.1
131.04897	35.3
133.06487	0.9
137.06001	2.5
148.05200	5.6
157.04721	0.7
161.05957	0.9
162.06708	0.5
163.07516	10.9
167.03119	0.5
175.07547	1.3
185.04205	4.8
185.05785	7.1
201.03792	1.0
203.05254	1.1
221.70351	0.5
259.07819	10.0
259.25687	0.7
273.63034	0.6
364.11188	1.0
421.14206	1.0
422.33643	0.6
423.16190	4.4
566.51392	0.5
601.20917	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
53.85950	2.2
55.05499	16.2
57.07059	16.7
57.07294	2.5
62.15899	2.6
65.03932	3.1
66.93233	2.6
67.05498	30.9
69.03410	17.6
69.07051	15.3
79.05476	42.7
81.03400	6.6
81.07042	41.6
82.36687	2.5
82.37248	2.4
83.04961	15.6
83.08604	5.0
85.06506	4.1
89.06010	4.9
91.05454	60.4
93.07024	78.3
95.04945	27.4
95.08582	43.3
97.06502	11.4
103.05447	3.8
105.07012	100.0
106.07770	3.1
107.08570	55.4
109.06488	23.8
109.10150	19.1
111.08108	4.1
113.09674	3.6
115.05452	5.1
117.06997	28.5
119.08557	79.6
121.06482	19.4
121.10116	47.0
123.07999	30.6
125.05998	4.0
125.09597	7.0
128.06204	6.0
129.06975	32.0
130.07758	4.3
131.08542	51.5
133.06488	13.2
133.08588	3.8
133.10106	37.1
135.08000	23.4
135.11679	14.2
137.05949	4.1
137.09584	13.6
141.06970	11.3
142.07736	34.9
143.08536	56.1
144.09335	13.6
145.06535	3.4
145.10118	63.4
147.08032	37.6
147.11690	14.1
149.09596	18.6
151.07497	12.3
153.06956	3.3
155.08551	30.3
156.09337	21.9
157.10089	64.7
158.10831	5.5
159.08005	20.3
159.11652	38.0
160.08817	11.2
161.09628	25.1
161.13199	3.5
163.11191	14.8
165.06979	5.7
165.09079	40.8
167.08513	6.7
168.09349	5.9
169.10103	28.1
170.10878	12.2
171.11658	38.0
173.09543	12.2
173.13232	17.3
175.11180	19.4
179.08562	12.1
181.08595	2.7
181.10100	21.5
181.12160	4.3
182.10919	10.9
183.11694	32.1
185.13228	18.8
187.11182	6.4
189.12686	12.2
193.10120	20.4
193.12248	14.2
194.10930	10.5
195.11682	19.6
196.12404	7.0
197.09607	3.7
197.13298	14.7
199.11203	6.1
199.14844	5.7
201.12672	4.5
203.14258	22.2
206.10912	5.0
207.11717	14.2
207.13734	9.9
209.13246	11.9
211.14854	3.3
213.12737	6.2
219.11668	6.5
219.13821	5.4
220.12366	4.2
221.13274	11.1
221.15376	42.0
223.11360	3.7
223.14821	14.3
225.12784	4.9
225.16379	6.2
231.11693	5.5
233.13426	8.4
233.15341	15.6
234.16119	5.1
235.14807	4.0
237.12721	7.3
237.14830	16.3
245.13249	5.6
247.14763	5.2
247.16881	3.6
249.16299	4.0
255.17480	12.8
261.16345	6.1
271.16843	6.4
281.19128	5.1
285.18567	4.7
286.19229	12.0
297.18323	4.0
299.19974	11.1
303.19568	22.8
312.20938	3.9
313.21588	5.8
325.21475	10.5
337.21335	6.4
352.23871	43.2
365.24756	6.2
502.34271	6.8
503.35385	3.9
507.34885	4.8
520.35651	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82135	1.6
53.03923	2.7
55.01871	2.3
55.05510	18.9
57.07058	12.7
57.08971	1.6
59.04980	3.3
65.03922	3.2
67.05491	20.6
69.03418	17.6
69.07061	15.0
71.59254	1.8
79.05470	34.5
79.97156	1.9
81.07041	39.5
83.04964	12.4
83.08589	4.1
85.06497	9.2
91.05466	55.8
92.09404	4.7
93.07022	90.9
95.04422	2.4
95.04935	22.3
95.08590	37.0
97.06500	5.2
100.86333	2.0
105.07011	100.0
106.07859	2.6
107.04891	3.0
107.08581	53.6
109.06484	22.3
109.10126	12.5
111.08094	4.0
115.05420	3.1
116.06161	3.4
117.07005	26.7
118.07763	2.0
119.08566	88.4
121.06493	18.6
121.10123	49.8
123.08049	35.0
123.11678	2.9
125.09597	2.5
128.06215	17.7
129.06970	29.6
130.07750	9.7
131.08536	45.2
133.06454	10.0
133.10120	45.7
135.08051	30.1
135.11674	12.5
135.85384	2.2
137.05948	2.7
137.09581	15.5
139.07465	2.6
141.06973	9.2
142.07748	32.5
143.08537	60.2
144.09314	11.6
145.06416	3.1
145.10110	63.4
147.08035	45.3
147.11649	9.1
148.08670	2.1
149.09573	25.3
149.13222	3.3
151.07491	14.6
153.06953	4.4
154.07721	3.3
155.08531	27.1
156.09322	21.9
157.10101	83.5
158.07201	2.8
158.10870	9.8
159.08049	21.2
159.11642	43.8
160.08730	3.6
161.09570	22.3
161.13246	4.0
163.11153	13.3
165.06978	4.0
165.09074	40.9
167.08516	12.9
167.10696	2.8
168.09323	9.0
169.10066	32.9
170.10829	9.2
171.07954	4.0
171.11650	45.0
172.08836	2.5
172.12389	4.2
173.09564	14.2
173.13177	15.1
175.11159	30.5
177.09149	4.0
177.12646	3.0
179.08563	10.2
179.10674	3.3
180.09335	4.4
181.10124	21.7
181.12230	4.5
182.10870	10.8
183.11684	35.5
184.12515	2.9
185.09557	4.1
185.13266	22.9
186.10403	3.2
187.11127	13.5
189.12639	11.0
190.13460	9.1
191.14197	2.2
193.10054	13.5
193.12187	10.9
194.10870	10.8
195.11665	26.0
196.12355	4.2
197.09554	5.3
197.13200	19.3
197.63289	2.3
199.11186	9.3
199.14752	5.0
201.12720	10.3
203.14291	24.6
206.10852	10.0
207.11633	20.6
207.13734	14.0
208.12415	5.0
208.14459	4.1
209.09682	2.2
209.13281	20.0
211.11122	8.5
211.14871	16.4
213.12723	14.9
215.10591	3.9
219.11662	3.4
219.13844	3.8
220.12488	3.3
221.13223	10.1
221.15237	49.7
223.11159	2.8
223.14775	13.3
225.12686	4.7
225.16341	8.3
229.15968	2.3
233.13237	4.6
233.15277	23.4
234.16010	4.7
235.14940	7.3
237.12636	6.6
237.14436	17.5
237.16780	4.0
239.14357	4.1
245.13176	4.3
246.13780	3.3
248.13911	8.9
249.16412	3.9
251.14302	3.3
253.15891	4.9
255.17441	19.0
259.14481	2.9
261.16315	10.6
265.19391	2.3
268.18198	2.8
271.16913	4.1
273.18423	2.8
274.19055	3.2
279.17197	3.6
281.18939	2.9
283.16779	2.6
286.19156	13.0
287.20090	3.7
294.19775	4.0
295.20374	4.9
299.20154	4.8
303.19476	40.4
313.21545	11.0
319.20691	3.7
325.21426	12.9
337.21527	4.9
352.23938	70.7
365.24765	14.9
377.24442	4.3
383.25650	3.9
420.30032	2.6
448.94730	2.7
502.34314	13.4
503.35107	5.2
507.34573	7.9
512.32587	2.4
520.35431	47.5
585.38940	2.6
600.41235	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17594	5.9
55.05499	21.2
55.80809	5.7
57.07070	11.4
64.33581	5.3
65.73843	5.5
67.05486	32.9
69.07047	11.2
71.04984	6.8
79.05466	26.0
81.03404	6.0
81.07034	62.6
83.04959	8.2
83.08622	8.7
89.06018	26.5
91.05454	60.8
93.07032	100.0
95.04949	28.9
95.08601	43.4
105.07030	91.5
107.08574	55.8
109.06513	14.5
109.10173	14.2
111.08041	8.7
117.07040	21.9
119.08562	79.2
121.06480	9.6
121.10142	33.7
123.08038	10.0
125.07156	6.1
125.09617	10.6
128.06200	8.4
129.06960	13.8
131.08566	44.8
133.06444	6.9
133.10089	40.9
135.08051	13.6
137.09622	8.7
141.06990	9.1
142.07782	27.2
143.08501	49.2
144.09338	8.2
145.06537	7.6
145.10085	34.4
147.08076	13.0
147.11693	14.8
149.09596	9.8
151.07582	7.3
155.08528	12.6
157.10101	62.9
159.08083	8.6
159.11690	37.6
161.09473	7.3
167.10638	9.5
169.10089	14.0
170.10818	12.3
171.11700	32.7
173.13245	8.2
175.11212	8.0
179.08530	23.0
181.10048	10.4
183.11635	25.1
185.13239	12.3
189.07286	8.3
192.00482	6.8
195.11778	11.8
197.13214	11.7
201.12711	9.0
207.11644	9.5
209.13303	11.1
219.11623	10.0
221.13399	8.3
221.15343	11.2
245.48167	6.0
255.17287	8.8
263.17471	7.0
270.16165	6.6
444.45377	8.1
600.40240	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	3.6
53.03926	4.1
55.01873	4.0
55.05509	28.4
57.07056	5.7
65.03902	3.3
67.05488	29.3
69.03407	11.8
69.07059	21.9
71.05000	4.0
74.41199	2.5
79.05479	44.4
81.07032	35.0
83.04952	15.0
83.08611	13.0
85.06518	4.2
87.04474	3.1
89.06001	13.3
91.05470	68.3
92.09283	4.2
93.07029	76.8
95.04950	24.7
95.08590	31.7
97.06509	10.8
101.74022	3.2
103.05460	4.1
105.07011	100.0
107.08578	55.7
109.06528	19.3
109.10160	27.1
111.08077	3.4
115.05472	3.5
117.06977	32.7
119.08566	76.9
121.06505	15.6
121.10121	45.2
123.08057	24.1
125.09616	11.4
126.73693	3.1
128.06197	21.9
129.06976	25.0
130.07785	15.0
131.08548	63.4
133.06477	4.6
133.10121	42.1
135.08034	17.3
135.11665	3.3
137.09602	15.1
141.06987	17.7
142.07782	35.4
143.08546	54.6
144.09315	13.9
145.10114	68.9
147.08020	16.7
147.11681	18.4
149.09581	16.4
151.07553	3.1
153.07039	11.1
154.07811	6.0
155.08517	26.3
156.09331	40.9
157.10103	55.3
158.10887	6.8
159.08012	18.4
159.11671	37.5
161.09599	15.0
161.13181	5.9
163.11177	2.9
165.07004	11.5
166.07703	3.2
167.08528	16.4
167.10716	5.4
168.09300	4.6
169.10130	32.5
170.10922	16.9
171.07985	3.8
171.11644	33.9
172.12433	6.2
173.09576	10.8
173.13150	21.6
175.11177	15.6
179.08543	16.7
180.09360	4.3
181.10051	27.8
182.10880	16.4
183.11690	33.1
185.09694	3.4
185.13235	19.1
187.11137	5.4
187.14803	4.8
192.09291	9.8
193.10085	20.3
194.10881	16.1
195.07883	3.1
195.11655	23.8
196.12486	12.7
197.13229	24.6
199.11159	6.5
199.14767	13.6
201.12733	3.9
203.14326	4.2
205.10092	5.0
206.10889	6.6
207.11731	20.4
208.12416	4.3
209.13194	19.9
211.11327	3.1
211.14772	15.2
213.12714	6.0
213.16476	5.6
215.14326	4.6
219.11723	11.7
220.12384	3.3
221.13258	15.6
221.15416	11.9
223.14818	13.7
225.12761	6.5
227.13976	3.2
231.11555	3.7
233.13217	9.3
233.15434	18.8
235.14781	6.8
237.16489	5.3
247.17053	3.6
249.16335	5.5
251.17740	3.7
255.17368	31.4
261.16537	4.7
263.17743	5.2
270.19843	2.9
273.18671	5.1
275.17688	3.6
281.18933	5.0
295.20432	3.3
307.20810	3.9
600.41357	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55291	1.9
53.03923	2.7
55.05505	21.1
56.35562	1.8
57.07058	12.9
57.72506	1.9
67.05492	28.0
69.03429	17.6
69.07042	12.8
74.66149	2.0
76.16186	2.1
79.05477	37.8
80.06249	2.1
80.38564	2.0
81.03388	2.1
81.07041	38.9
81.07485	3.2
83.04973	18.2
83.08598	4.6
83.27171	2.1
85.06558	4.9
91.05457	56.0
93.07026	82.9
95.04944	22.4
95.08580	39.1
97.06485	5.7
104.10075	2.3
105.07008	100.0
106.32399	2.1
107.04929	2.7
107.08569	53.7
109.06516	20.0
109.10125	14.6
115.05444	3.4
116.06166	3.5
117.07001	24.3
119.04837	2.2
119.08559	83.9
120.09383	2.7
121.06518	17.0
121.10140	34.8
122.07198	2.5
123.08034	25.9
123.11709	2.6
125.09611	4.2
128.06180	11.3
129.07008	25.9
130.07735	8.8
131.08553	42.4
132.09360	3.3
133.06487	3.7
133.10112	46.9
135.08022	30.4
135.11685	9.9
135.37999	2.5
136.08836	2.7
137.05923	2.6
137.09602	18.0
141.06966	10.4
142.07758	30.2
143.08537	56.9
144.09323	13.1
145.06514	3.6
145.10101	67.6
147.08022	33.2
147.11641	12.7
149.09618	20.1
151.07565	18.7
153.07002	4.6
154.07710	2.4
155.08466	21.4
156.09322	15.9
157.10103	74.8
158.10886	15.8
159.08012	17.9
159.11665	40.4
160.08890	2.8
161.09547	19.3
161.13248	4.4
163.11208	18.2
165.06998	4.6
165.09090	35.7
166.07680	3.8
166.46750	2.3
167.08546	11.1
167.10608	5.3
168.09283	8.4
169.10095	31.3
170.10875	14.2
171.11653	35.9
172.08716	2.5
172.12469	4.9
173.09612	9.6
173.13219	12.1
175.11163	27.7
179.08521	12.8
179.10660	2.5
180.09259	3.6
181.10089	21.3
181.12163	3.2
182.10884	5.3
183.11664	30.2
184.12460	3.1
185.09654	4.0
185.13232	23.7
187.11133	12.6
187.14799	5.0
189.12717	20.3
190.13499	5.6
191.10641	3.1
191.14304	3.5
192.09198	3.1
193.10101	10.4
193.12213	11.9
194.10918	4.9
195.11636	24.1
196.12381	4.7
197.09569	3.8
197.13263	22.1
199.11154	5.2
199.14836	9.9
201.12735	10.4
203.14241	20.8
206.10916	2.7
207.11667	15.0
207.13710	9.4
208.12532	8.3
208.14445	5.1
209.13246	19.3
210.14143	3.3
211.11153	9.4
211.14806	9.4
213.12733	14.0
215.14220	3.0
217.12193	2.8
218.10770	3.1
219.11685	4.4
219.13739	4.9
220.12349	3.4
221.13266	14.4
221.15340	57.6
223.14821	11.5
225.12636	4.9
225.16362	5.3
227.14226	3.8
231.11583	3.7
232.12463	3.0
233.13187	10.4
233.15340	20.2
234.16170	4.5
235.14792	8.5
237.14514	16.8
239.14143	4.3
245.13213	2.5
246.13971	2.9
247.14647	3.2
247.16945	3.8
248.14053	10.7
249.12747	2.9
249.16394	5.6
253.15825	4.1
255.17393	18.7
259.16882	3.7
261.16241	5.1
267.17319	3.0
271.17065	4.3
281.18872	3.9
286.19305	10.2
287.20081	4.4
295.20615	3.7
299.20190	5.4
303.19440	38.4
311.20111	3.0
312.20956	3.9
313.21628	4.1
319.20712	4.5
325.21652	5.1
337.21646	11.2
350.00134	2.9
352.23932	56.8
365.24805	18.5
502.34363	8.9
503.34753	2.7
507.34448	5.5
520.35364	45.8
600.40936	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01863	1.3
55.05501	20.3
57.03417	2.1
57.07069	10.1
59.04988	3.1
60.36094	1.2
65.03928	1.5
67.05488	29.4
69.03406	16.1
69.07048	15.4
71.04964	2.1
79.05469	39.9
80.11065	1.4
81.03409	2.1
81.07037	38.1
83.04958	14.4
83.08612	6.5
85.06529	7.1
85.67935	1.3
89.06007	3.0
91.05460	55.0
92.06242	2.1
93.07021	75.7
95.04939	22.3
95.08576	36.0
97.06509	8.0
103.05443	3.0
105.04549	1.4
105.07006	100.0
106.07798	2.3
107.04926	2.8
107.08569	57.3
109.06496	19.8
109.10125	19.9
111.08036	6.1
115.05421	6.7
117.06996	24.9
119.08550	81.7
120.09349	2.9
121.06477	14.4
121.10117	47.8
123.08037	25.3
125.05939	4.8
125.09596	5.8
127.01072	1.3
128.06197	15.4
129.06982	26.0
130.07758	8.8
131.08537	45.9
132.09343	2.4
133.06467	9.7
133.10098	40.4
134.10867	1.6
134.91156	1.4
135.08018	24.4
135.11682	11.3
136.08792	1.7
137.05943	1.6
137.09613	18.0
139.07506	2.5
139.11174	2.1
141.06926	11.9
142.07762	38.3
143.08539	53.3
144.09319	14.8
145.06474	6.5
145.10097	63.4
147.08023	38.6
147.11667	14.7
148.08806	2.2
149.09589	19.3
149.13324	1.9
151.07478	18.2
151.11168	1.8
153.06956	2.2
154.07745	1.7
155.08521	20.7
156.09314	21.9
157.10098	69.5
158.10838	7.6
159.08014	21.6
159.11646	39.3
160.08757	2.9
161.09583	14.9
161.13210	5.1
162.10309	2.4
163.07596	1.6
163.11183	10.3
165.06969	7.0
165.09064	37.0
165.10307	2.4
166.07686	2.5
167.08542	11.0
167.10666	9.2
168.09346	5.6
169.10072	27.3
170.10852	11.8
171.08148	2.0
171.11639	33.5
172.08752	1.6
172.12418	7.0
173.09554	12.4
173.13228	15.6
174.10307	1.5
175.11169	25.6
175.14769	1.9
177.09090	2.2
177.12727	2.2
179.08539	11.4
180.09337	5.7
181.08603	2.0
181.10046	18.1
181.12201	5.8
182.10851	12.0
183.08125	1.7
183.11635	25.1
184.12320	2.3
185.09584	5.5
185.13193	19.8
186.10335	2.0
187.11050	9.7
187.14775	2.3
188.11810	1.4
189.12686	12.0
190.13493	3.3
191.10614	3.0
191.14256	2.1
192.09297	3.3
193.10123	17.8
193.12195	11.5
194.10873	10.3
195.11656	26.0
196.12434	6.1
197.09656	3.1
197.11540	1.8
197.13200	16.1
198.10356	2.1
199.11169	11.5
199.14755	9.3
201.12709	7.1
203.14268	24.4
204.09462	1.7
205.10091	3.3
205.12132	1.8
206.10873	5.8
207.11674	16.8
207.13751	10.3
208.12431	7.7
208.14388	2.4
209.13226	19.4
209.15190	3.4
210.14034	5.3
211.11211	5.6
211.14755	13.8
212.11940	2.9
213.12654	9.4
213.16260	2.4
215.10640	2.4
215.14331	4.4
217.10100	1.9
218.10765	2.3
219.11635	5.3
219.13806	5.6
220.12434	2.6
221.09494	1.8
221.13225	12.7
221.15332	50.3
222.13991	2.8
223.11163	5.1
223.14799	8.7
225.12694	8.6
225.16351	6.4
227.14185	1.7
229.12183	2.6
231.11571	2.2
232.12457	3.3
233.13179	8.1
233.15326	20.9
234.13991	3.1
234.16095	8.1
235.14702	9.5
236.15562	1.4
237.12604	6.3
237.14525	18.7
239.14211	2.7
241.15880	4.9
244.12338	1.8
245.13078	2.3
246.13945	2.5
247.14740	5.6
247.16920	3.3
248.11714	1.5
248.14082	8.0
249.12502	1.9
249.16310	6.2
251.14194	2.4
253.15854	3.1
253.19185	1.7
255.17319	16.6
257.13095	2.0
259.14612	1.9
259.17081	2.6
260.15457	2.0
261.16278	9.1
263.14359	2.1
263.17752	1.7
265.15842	2.7
265.19550	2.2
268.18262	2.6
270.19626	2.4
271.16992	4.8
273.18576	2.6
274.19147	2.9
279.17508	2.7
281.18921	8.0
285.18423	3.2
286.19409	10.4
287.20035	6.2
294.19693	2.7
295.20557	2.3
297.18542	1.9
299.20044	10.1
303.19482	32.8
307.20425	2.1
311.19925	2.2
312.20718	2.4
313.21570	8.9
319.20456	1.6
325.21600	11.0
337.21478	3.1
347.23544	1.7
352.23889	61.1
353.24216	2.6
365.24680	14.8
377.24414	2.3
383.25620	1.9
502.34100	10.8
503.35376	3.0
505.32739	1.6
507.34622	9.4
508.35010	2.0
520.35370	40.6
583.41431	1.9
599.40875	1.7
600.40680	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01854	3.3
55.05488	12.7
57.07061	15.3
59.04972	3.9
62.10839	2.3
67.05488	22.9
69.03403	13.6
69.07044	16.8
72.87295	2.4
79.05471	22.3
80.05389	2.3
81.07038	34.4
83.04948	11.8
83.08585	6.6
85.06525	10.5
89.05997	5.5
89.41337	2.9
91.05458	45.0
92.06235	2.9
93.07025	64.1
95.04945	15.2
95.08586	33.5
97.06511	6.6
103.05491	4.3
105.07011	93.3
107.08569	43.5
109.06504	16.4
109.10133	14.9
111.08084	2.8
117.07006	19.4
119.08560	100.0
120.09354	3.9
121.06467	17.6
121.10120	35.9
123.08041	30.6
123.11677	2.9
125.05927	10.7
128.06197	12.3
129.06967	17.0
130.07748	6.4
131.08524	45.7
132.09319	11.8
133.06479	4.1
133.10098	44.7
134.10847	3.7
135.08052	27.7
135.11650	3.8
137.05969	4.0
137.09598	19.6
141.06970	5.5
142.07758	17.0
143.08553	46.4
144.09341	11.0
145.06474	6.7
145.10112	60.5
147.08047	37.2
147.11636	12.5
149.09586	17.0
151.07507	17.1
155.08533	15.8
156.09314	21.7
157.10123	60.8
158.10794	5.4
159.08054	15.7
159.11656	35.7
160.08803	15.1
161.09575	14.9
161.13223	13.9
163.11131	20.7
165.09091	52.9
167.08524	4.6
168.09351	4.3
169.10039	22.9
170.10866	12.0
171.11617	33.8
172.12421	4.6
173.09619	6.8
173.13187	12.6
175.11122	25.4
177.08975	3.8
178.10019	3.3
179.08575	4.1
181.10071	17.6
181.12202	16.7
182.10831	6.7
183.11630	20.3
184.12439	3.8
185.13234	14.5
187.11125	12.3
187.14722	6.1
189.12706	13.8
190.13440	11.3
193.10103	11.5
193.12212	14.8
194.10928	3.9
195.11636	20.0
197.13234	21.7
198.86763	2.9
199.11147	6.5
199.14795	6.5
201.12741	14.7
203.14253	24.7
205.12317	2.7
206.10889	10.3
207.11821	4.6
207.13742	6.6
208.12575	3.5
208.14584	5.6
209.13229	13.6
211.14764	5.9
213.12733	5.2
213.16228	3.3
219.13773	5.7
221.13292	8.2
221.15302	81.7
223.11061	4.2
223.14810	11.6
225.16284	5.2
233.13174	4.4
233.15334	4.6
234.16095	18.9
235.14796	5.0
247.16838	21.2
249.16367	3.9
253.21692	2.9
265.15567	3.1
265.19922	3.4
274.19321	11.1
281.18896	3.7
286.19254	10.9
287.20059	5.6
288.17703	3.1
297.18396	4.5
299.20224	21.6
307.20404	3.3
309.18387	4.8
312.20856	5.3
313.21701	4.7
325.21588	15.5
327.23227	4.8
337.21558	4.4
339.23334	4.3
340.23978	20.1
352.23898	38.0
365.24451	10.2
380.18646	3.0
419.29260	5.5
420.29980	3.9
425.26868	3.8
426.27759	4.9
427.28259	11.7
440.29153	53.6
507.34662	6.5
520.35413	65.2
585.38702	3.8
600.41156	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46774	1.3
53.00309	2.2
53.03938	6.8
55.01859	1.9
55.05508	22.4
55.24492	1.2
57.07064	9.1
59.04993	2.2
65.03928	2.1
67.05490	33.2
69.03421	12.3
69.07057	19.0
69.40742	1.4
71.04960	3.2
72.76580	1.4
78.57861	1.4
79.05473	28.3
81.07040	34.3
83.04949	16.7
83.08611	10.6
85.06541	7.1
87.04459	3.2
89.06021	9.5
91.05463	60.1
93.07020	63.2
95.04946	19.1
95.08572	27.0
97.06523	13.4
103.05441	3.2
105.07014	100.0
107.04960	2.2
107.08577	60.5
109.06491	21.6
109.10149	28.7
111.08063	7.4
113.09599	3.2
115.05472	8.4
116.06226	1.6
117.07011	25.7
119.04916	1.9
119.08561	79.5
120.09332	2.9
121.06499	13.7
121.10121	46.0
123.08044	26.6
123.11697	3.8
125.09602	9.8
125.30506	1.5
128.06204	21.6
129.06985	29.2
130.07776	13.7
131.08546	51.5
132.09328	2.4
133.06479	4.0
133.08595	2.5
133.10107	48.4
135.08040	17.1
135.11679	9.9
137.09616	11.4
139.11108	2.5
141.06949	15.5
142.07762	37.9
143.08546	61.4
144.09331	16.0
145.06483	10.2
145.10106	70.1
147.08002	15.9
147.11688	16.4
149.09566	15.6
149.13362	1.9
151.07524	2.9
153.06981	10.8
154.07759	3.9
155.08519	22.6
155.10577	3.1
156.09303	27.5
157.10095	71.4
157.11359	2.6
158.10851	12.9
159.08000	23.3
159.11662	40.9
160.08795	6.5
161.09566	12.8
161.13206	6.8
163.11159	9.6
165.06987	9.1
165.09171	2.3
166.07718	7.1
167.08549	16.6
167.10677	8.6
168.09306	10.7
169.10106	37.2
170.10855	17.6
171.08046	2.8
171.11647	42.0
172.12360	2.5
173.09605	10.7
173.13190	18.6
175.11209	13.0
175.14786	4.0
177.09021	2.0
179.08507	15.7
180.09331	11.3
181.10077	23.4
182.10861	16.8
183.11636	26.8
184.12413	3.6
185.09634	8.9
185.13197	17.6
187.11226	7.3
187.14738	3.9
189.12694	7.6
191.08507	2.0
191.14256	3.1
192.09290	6.2
193.10115	19.7
193.12032	3.1
194.10915	11.5
195.11642	35.1
196.12425	10.6
197.09543	7.7
197.13190	23.7
198.14009	3.3
199.11140	9.5
199.14719	11.8
201.12767	3.6
203.14279	7.8
205.10121	3.8
206.10861	9.1
207.11737	18.1
207.13586	3.0
208.12399	13.1
209.13213	28.1
210.13911	3.4
211.11192	7.8
211.14731	16.5
212.15578	1.8
213.12756	6.7
213.16376	3.0
215.14322	7.4
217.10094	2.6
219.11632	9.5
219.13666	2.4
220.12502	6.8
221.13225	16.4
221.15370	9.7
222.14001	3.6
223.11232	1.9
223.14687	13.3
225.12769	7.5
225.16379	8.7
227.14290	7.2
231.11621	3.2
232.12314	2.1
233.13177	6.8
233.15361	14.8
234.13991	3.4
234.16121	2.7
235.14781	11.1
237.16391	10.8
239.14386	1.9
241.15930	3.2
243.11725	3.4
244.12463	2.3
245.13159	3.9
245.15459	2.4
246.13989	3.4
247.14685	8.5
249.16353	7.7
251.14357	3.0
251.17917	3.2
253.15819	4.2
255.17387	28.1
259.14795	6.3
261.16324	3.3
263.17926	3.2
265.19516	3.1
267.17255	2.7
269.18939	3.4
270.19662	2.9
275.17767	3.6
276.72577	1.9
281.19104	2.6
283.20148	2.1
286.19308	2.5
295.20483	1.9
354.21304	2.1
383.25742	7.3
469.67883	1.9
600.41754	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44932	1.6
54.81279	2.2
55.05495	9.9
57.07072	21.1
59.05001	3.3
67.05492	22.3
69.03407	11.2
69.07040	8.9
79.05476	24.5
81.07030	33.6
83.04977	11.2
85.06524	5.1
89.05969	2.1
91.05460	51.4
92.06229	4.1
93.07020	55.4
95.04951	17.0
95.08581	32.9
97.06494	10.6
105.07011	73.6
106.07807	4.3
107.08580	34.9
109.00308	2.0
109.06508	17.7
109.10160	11.8
111.08061	3.4
114.36172	2.2
117.07005	23.7
119.08558	100.0
121.06485	11.6
121.10120	23.5
123.08043	25.4
125.05972	18.9
128.06189	9.8
129.06972	19.5
130.07750	4.3
131.08543	33.5
133.06461	3.9
133.10095	32.7
135.08041	31.2
135.11633	7.8
137.05975	3.3
137.09557	20.0
139.07547	2.6
141.06955	9.0
142.07755	20.1
143.08540	37.5
144.09322	13.1
145.06461	3.5
145.10100	61.5
147.08005	41.7
147.11667	11.0
149.09590	21.9
151.07533	20.3
155.08545	16.8
156.09277	19.7
157.06482	2.7
157.10110	46.2
158.10854	5.1
159.08023	5.0
159.10339	2.8
159.11642	34.6
161.09541	15.8
161.13245	9.5
163.11147	23.6
165.07007	4.1
165.09087	47.1
167.08557	3.1
168.09232	2.6
169.10092	18.8
170.10902	3.4
171.11642	26.2
172.12424	3.9
173.09534	15.2
173.13223	12.8
175.11136	29.4
177.09119	3.1
181.10135	11.0
181.12204	16.2
182.10854	4.6
183.11623	24.4
184.12334	2.7
185.09572	5.0
185.13223	13.5
187.11188	11.2
187.14896	3.6
189.12688	10.9
190.13443	10.7
191.10553	3.9
193.10121	9.1
193.12207	17.8
194.10930	3.8
195.11661	13.0
196.12476	2.3
197.09534	2.5
197.13239	19.6
199.11217	9.3
199.14760	3.7
200.11729	2.2
201.12698	8.7
203.14299	23.0
207.11697	11.9
207.13820	10.6
208.12549	3.3
208.14458	4.1
209.09453	2.3
209.13211	11.3
211.11134	4.8
211.14766	9.7
213.12741	7.9
215.14308	3.4
219.11610	2.5
219.13745	4.3
221.13268	4.7
221.15329	60.9
222.15755	2.6
223.14690	8.5
225.12668	3.0
225.16330	4.9
227.14317	4.2
233.15387	3.8
234.16138	13.3
235.14973	2.7
237.12651	4.4
239.14380	4.4
243.32881	2.1
247.14716	2.7
247.16870	18.1
248.17757	2.3
251.14311	2.9
253.15877	3.3
259.16916	9.7
267.17395	3.4
271.16782	8.9
274.19223	10.0
281.19028	3.8
285.18393	2.5
286.19232	2.7
287.19998	9.5
297.18460	3.2
299.19998	13.9
311.93155	2.2
312.20944	5.0
313.21576	4.4
325.21588	19.4
337.21457	3.6
339.23083	5.1
340.23883	17.3
352.23837	30.3
365.24542	4.3
413.26733	3.7
419.29382	3.7
425.26929	15.6
426.27512	3.3
427.28268	17.6
440.29163	45.0
505.32605	2.7
507.34494	2.7
520.28210	3.0
520.35413	54.4
524.94421	2.6
600.41418	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	51.2
57.07063	10.2
64.75774	8.5
67.05492	39.3
69.07066	38.7
79.05470	62.2
81.07045	78.7
83.08599	13.1
89.06019	42.7
91.05467	46.1
93.07016	72.0
95.04954	17.1
95.08588	54.8
105.07020	76.7
107.08571	57.6
109.10143	52.8
117.06982	49.4
119.08557	100.0
121.06499	15.4
121.10133	25.2
123.08035	21.8
123.87766	10.4
125.06052	14.3
129.06966	19.0
131.08562	45.8
133.08627	13.3
133.10112	44.0
135.07988	18.8
143.08534	40.3
145.10123	71.7
147.08102	50.6
149.09653	17.1
155.08594	15.6
157.10112	57.7
159.08008	13.4
159.11638	25.2
160.08853	20.8
163.11115	17.0
165.09100	54.7
169.10104	16.5
171.11697	14.3
183.11583	20.1
185.13293	13.4
187.11111	12.6
197.13300	13.0
203.14244	13.5
221.13266	12.8
221.15337	37.7
273.18518	15.5
286.19089	13.6
291.19528	84.4
325.21774	16.2
440.29089	20.5
520.35632	20.2
586.76080	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	600.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62331	2.7
55.01863	5.9
55.05511	15.7
57.03431	7.7
57.07084	2.9
58.06598	3.4
60.08151	5.9
67.05492	40.8
69.07063	21.8
71.07355	7.2
79.05476	50.4
81.03397	3.7
81.07048	53.4
83.04971	6.5
83.08595	6.5
86.09693	49.3
91.05463	43.3
93.07016	37.6
95.04956	6.4
95.08588	35.7
97.02888	3.9
97.06519	6.3
102.09182	5.7
104.10731	100.0
105.07045	27.0
107.04921	12.0
107.08599	22.7
109.06522	16.9
109.10175	13.8
111.04446	4.1
117.06995	18.9
119.08588	21.1
119.67050	3.4
121.10129	12.5
123.08077	7.1
129.07043	4.4
131.08549	14.8
133.10149	12.6
135.08092	5.8
135.11707	17.5
137.09610	8.2
142.07768	3.2
142.65590	3.2
145.10103	19.4
147.07980	7.0
149.09628	13.5
159.11690	4.0
161.09647	4.3
163.11195	5.3
171.11690	4.4
172.92522	3.8
173.09627	4.9
182.99048	7.5
184.07407	3.9
187.14809	3.5
191.10658	5.5
201.00107	23.6
208.93059	7.0
210.94495	4.9
247.16982	5.9
268.00327	7.0
276.17334	4.1
283.15372	29.0
284.07352	5.2
301.20084	4.4
321.20560	6.3
355.72467	3.8
375.25085	13.7
506.45493	4.9
529.31250	17.1
547.32397	17.0
565.33307	6.0
600.31207	4.6
624.24451	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	600.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	25.1
55.05505	31.7
56.39381	4.3
57.03413	22.2
59.40417	4.9
67.05482	44.9
69.07056	44.3
77.81853	4.7
79.05470	71.4
81.03381	50.7
81.07047	100.0
83.04964	24.7
83.08601	26.4
85.02901	26.0
91.05463	72.1
93.07009	49.7
95.04945	29.5
95.08582	36.6
97.06488	9.6
97.10174	6.4
105.07032	42.7
107.04949	11.9
107.08567	51.8
108.08932	5.2
109.06515	23.7
109.10146	9.3
111.04417	6.6
111.08069	4.8
115.34923	5.5
117.07043	9.0
119.08568	48.9
121.06515	6.1
121.10134	26.4
123.08062	27.8
125.09613	28.1
129.06967	21.0
131.08562	24.6
133.10138	11.3
135.07982	8.9
137.09595	11.1
143.07028	7.6
143.08633	7.0
145.10118	8.8
147.08029	19.1
147.11761	18.8
149.09608	8.4
153.09105	21.8
157.10120	28.2
157.99756	5.0
161.09674	7.9
165.09042	8.8
168.77702	4.9
175.11243	9.6
193.12199	12.0
199.09489	6.9
199.14737	7.0
211.13277	24.5
217.15862	7.3
244.92661	5.9
245.15338	19.2
263.16397	12.4
281.17325	6.9
285.16846	38.7
291.53067	5.4
319.19186	6.0
337.20081	8.2
358.48563	5.8
431.18848	7.3
453.24197	12.4
529.30914	5.7
547.32263	6.6
565.33295	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	600.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81417	3.3
55.05505	59.5
57.03421	17.4
57.07070	45.6
65.68243	2.7
67.05492	83.6
69.03418	5.2
69.07056	93.9
71.05004	5.5
71.08620	19.4
73.02899	5.3
79.05470	41.1
81.03422	4.4
81.07040	97.1
83.04959	3.9
83.08604	78.0
85.10176	11.8
89.33181	3.2
89.84396	2.8
91.05471	14.5
92.09289	3.6
93.07023	60.0
95.04946	5.5
95.08590	89.9
95.09197	4.1
97.06528	17.5
97.10130	45.1
99.04433	4.0
105.06998	14.6
107.08572	40.0
109.02901	3.1
109.10154	45.2
110.03651	3.0
111.04361	3.9
111.08060	12.1
111.11721	15.5
117.06924	3.1
119.08569	15.2
121.10127	86.9
123.11697	6.0
125.09627	3.9
131.08578	3.7
133.10085	6.0
135.08022	3.4
135.11671	48.0
139.11110	4.6
139.18214	3.7
145.10109	5.1
147.08025	3.5
149.13234	21.3
155.48190	3.2
157.10088	3.9
163.11154	3.0
163.14819	5.0
167.10664	5.9
169.09959	3.4
185.13231	3.2
191.00024	4.4
195.11583	4.0
221.15376	4.0
247.24184	42.2
265.25214	94.6
283.26266	12.6
339.28918	100.0
357.29919	46.5
388.00928	3.2
467.56952	3.4
565.30353	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	600.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.6
55.01869	1.7
55.05502	5.8
56.04996	0.6
57.03399	0.3
57.07057	0.3
58.99561	1.8
61.01093	0.2
65.03909	0.5
67.05489	12.9
68.04978	0.4
68.47378	0.3
69.03392	0.4
69.07050	6.4
69.97141	0.2
70.02909	0.4
71.04926	1.0
73.01089	0.3
73.45309	0.2
74.00645	4.2
75.02685	0.3
76.02197	2.5
76.03970	0.2
79.05473	9.6
80.04988	2.6
81.03389	0.2
81.07037	33.2
82.06525	1.1
83.04929	1.6
83.06086	2.4
83.08606	3.5
84.04488	8.3
84.74081	0.2
85.01115	1.9
85.06516	0.6
86.00652	1.8
86.98991	0.3
88.02170	1.1
91.05457	9.3
92.09275	0.3
93.05758	0.4
93.07023	10.2
94.06561	1.7
95.04947	3.6
95.08583	16.4
97.01098	2.6
97.06464	1.4
97.10078	0.4
98.00578	0.5
99.01405	7.1
99.02625	1.3
99.05505	1.4
100.02185	10.3
102.03721	0.3
102.05511	0.4
105.07012	10.3
106.06492	1.5
107.04945	2.3
107.06026	0.4
107.07300	0.5
107.08580	8.0
107.74373	0.2
108.04412	0.3
108.08094	2.0
109.06503	5.3
109.10122	4.1
111.02615	1.5
111.08047	0.5
112.02168	14.2
113.02960	2.1
113.04189	1.7
114.00100	0.4
114.02962	0.5
114.03728	11.0
115.05743	0.4
116.01661	3.5
117.06993	3.0
119.08560	6.3
120.08067	1.7
121.06473	2.6
121.10114	5.3
122.09628	1.1
123.02596	1.3
123.08012	1.5
123.11680	1.7
124.02099	0.4
124.06940	0.3
124.11132	0.3
125.02869	0.4
125.04169	1.7
125.09587	0.4
126.03720	5.6
127.02129	0.3
127.05734	0.4
127.07510	0.3
129.06508	2.7
130.04977	2.3
131.08545	4.5
132.08018	0.4
133.06509	0.8
133.10107	5.4
134.09599	1.5
135.02568	0.5
135.05489	0.4
135.07999	1.3
135.10387	0.4
135.11615	2.0
136.03883	0.9
136.11089	0.3
137.04137	1.4
137.09535	1.1
138.03711	4.3
139.02126	0.5
139.03186	1.2
139.04384	0.4
139.05690	1.6
140.01596	0.3
140.05269	12.6
141.02393	0.4
141.04765	0.3
141.05965	0.3
141.07072	0.3
142.03177	1.2
142.06798	0.3
143.02672	0.4
143.08514	0.5
144.01093	0.5
145.06104	1.4
145.10110	3.5
147.08066	0.3
147.10585	0.4
147.11673	6.2
149.04115	0.4
149.09555	1.6
149.13272	2.1
150.03740	0.4
151.04550	0.3
151.05701	1.6
151.11131	0.4
152.01610	0.3
152.05281	3.6
153.06554	1.1
154.06813	2.7
157.00674	0.3
157.10118	1.3
158.02602	0.3
159.11633	1.4
161.13251	1.2
162.02133	1.1
163.05727	0.4
163.11136	2.0
163.14767	0.6
165.07292	0.4
165.12672	0.4
166.06792	2.3
167.07608	0.4
168.08385	23.6
169.10138	0.3
171.11612	1.2
173.13240	3.0
176.03580	0.3
177.12677	0.3
179.04790	0.5
180.08333	0.5
181.06013	1.0
183.11642	0.3
185.03758	3.5
187.05284	1.1
187.11151	0.4
188.14236	0.2
189.12700	1.0
191.14250	1.1
193.12131	0.5
199.07094	0.4
201.12756	0.4
202.04068	3.1
203.04832	0.3
203.08780	0.4
207.13756	1.2
208.16928	0.4
209.09149	0.4
209.15350	2.6
210.14810	0.4
211.07266	0.3
215.04764	0.9
216.05571	3.4
218.15337	0.5
221.17825	0.2
222.12907	0.3
222.14885	0.9
226.08713	0.3
229.06358	0.3
229.19394	0.3
231.04318	4.8
233.05855	1.5
236.14401	2.2
236.16486	1.3
238.12685	0.3
241.06374	1.9
242.15704	0.3
247.20514	0.5
248.16423	1.0
255.05411	0.4
255.07883	4.3
256.13544	0.4
256.16208	0.2
257.18961	0.5
264.14120	12.0
265.12421	0.3
265.14832	1.4
269.09445	3.0
270.10260	8.0
271.11127	1.4
275.20004	6.6
280.13885	0.3
281.14386	3.7
282.15161	48.5
283.15451	0.4
292.22836	0.6
293.21057	1.0
307.17090	1.2
308.09055	1.1
309.13937	0.3
323.16049	1.0
324.19586	0.3
325.15744	0.5
332.20276	0.6
333.18765	1.9
339.17349	0.9
350.21417	9.3
351.19647	2.1
360.19806	0.3
365.11005	0.3
368.22479	11.4
378.20972	1.4
384.17035	13.3
385.17746	2.9
407.23917	0.3
435.22961	0.5
453.24094	100.0
454.24551	1.1
479.25882	0.4
507.24936	0.5
525.26190	5.3
571.62573	0.3
582.28278	1.6
597.03394	0.3
600.19904	0.5
600.29456	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	599.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.2
53.03941	2.1
54.60330	1.0
54.81752	1.3
55.05505	40.6
57.03431	2.2
57.07066	33.8
59.05017	1.1
59.31000	1.2
59.40029	1.0
61.24107	1.2
63.58492	1.2
67.05493	41.7
69.03421	2.2
69.07055	56.5
71.04971	2.4
71.08615	15.7
77.03888	1.1
79.05477	33.9
80.91389	1.1
81.07042	100.0
83.04993	3.2
83.08604	36.9
85.06535	2.6
85.10169	7.1
91.05466	18.4
93.07024	63.9
95.04952	6.7
95.08587	91.6
97.06527	8.8
97.10144	24.3
99.08064	1.8
104.10896	1.2
105.07012	42.8
105.07674	2.5
107.08577	48.0
109.06490	2.7
109.10146	53.1
111.08071	5.0
111.11730	8.5
115.07453	1.2
117.06996	2.8
119.08573	40.1
119.09412	2.7
121.10130	40.5
123.08072	5.7
123.11687	14.6
125.09617	5.7
128.06200	1.4
129.06975	1.7
131.08551	7.1
133.10110	36.4
135.08110	1.8
135.11673	29.0
137.09613	6.6
137.13255	7.8
139.11171	7.3
142.07756	1.7
143.08528	3.0
145.10130	8.7
147.08046	2.6
147.11664	19.2
149.13235	23.4
151.11169	1.8
151.14809	3.1
153.12741	1.5
155.08479	2.1
156.09364	1.3
157.10063	5.2
159.11646	1.5
161.13196	10.5
163.14810	10.5
165.09052	2.1
169.10190	1.8
173.09616	1.3
175.14784	2.9
177.16331	3.1
189.16331	5.2
191.17891	2.9
195.11755	1.7
203.18008	2.5
215.14218	1.8
217.19453	2.7
219.21121	10.3
221.15338	3.1
223.14793	1.2
237.22061	13.0
255.23102	12.4
261.25690	1.5
273.25696	18.7
291.26740	12.4
309.27869	6.8
328.27298	1.4
515.47955	2.5
520.35693	1.7
533.49554	2.0
545.49188	8.6
558.89899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52094	0.1
52.29526	0.2
53.02796	0.2
54.19239	0.1
55.05511	0.3
57.07056	0.3
58.00723	0.1
67.05486	0.4
69.07046	0.9
71.08583	0.3
79.05459	0.3
81.07021	0.7
91.05485	0.2
93.07036	0.4
94.04166	0.9
95.08580	0.3
105.06995	0.4
107.08562	0.2
109.10106	0.3
122.03616	4.8
123.11691	0.2
133.10080	0.3
135.11623	0.7
137.05951	100.0
138.06253	0.7
153.12747	0.2
158.15347	0.4
170.15378	1.1
182.15390	1.3
195.78741	0.2
235.55293	0.2
279.19635	0.2
294.20551	1.7
306.20602	3.6
404.80063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	3.8
54.73018	2.6
55.05492	19.6
57.07066	7.5
67.05497	35.3
69.03406	5.2
69.07061	28.4
69.07352	3.8
71.08606	6.0
79.05470	27.5
81.07041	66.2
83.08591	18.0
85.87717	3.3
91.05465	24.4
91.15181	3.0
92.08689	7.2
93.07024	63.6
95.04948	6.2
95.08573	49.6
96.05704	3.3
97.10086	3.2
105.07018	23.5
107.08580	39.0
109.10128	25.8
111.82852	3.4
117.06979	7.3
119.08588	31.4
121.10121	30.9
122.84335	3.8
123.11665	5.5
125.09645	3.2
131.08502	8.2
133.10098	32.9
135.11649	23.7
137.09572	4.2
143.08595	12.5
145.10091	16.1
147.08061	4.0
147.11667	7.9
149.13213	16.4
157.10080	13.9
159.11716	6.7
161.13255	5.1
163.11133	3.3
163.14795	4.3
165.09070	7.3
177.09074	4.5
183.11630	4.8
197.13210	4.3
203.17896	4.3
221.15387	6.2
273.25708	6.0
273.75070	3.6
291.26770	13.1
309.28046	6.6
312.18793	3.4
333.20462	6.0
375.88370	3.4
499.42062	4.1
599.39099	100.0
600.39233	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	599.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05496	9.6
57.07062	3.1
60.42535	1.1
65.50549	1.4
67.05499	17.1
68.77303	1.1
69.03448	1.8
69.07043	14.6
75.99834	1.4
79.05470	15.6
81.07045	26.9
83.04978	1.8
83.08595	11.0
91.05461	12.0
92.08702	3.2
93.07009	23.8
95.04954	6.3
95.08609	18.7
97.10158	1.6
97.81507	1.8
105.07037	15.8
105.07639	1.7
107.08562	10.5
109.10160	10.9
109.34058	1.4
117.07028	3.7
119.08576	9.5
121.06472	5.2
121.10130	11.3
129.07021	2.2
131.08586	7.0
133.10120	6.8
135.11707	2.7
142.07822	1.9
143.08521	2.0
145.10100	6.5
147.11682	6.6
149.13223	3.6
151.11343	1.6
157.10107	5.7
159.11681	2.4
163.14842	1.7
173.13298	1.7
214.78235	1.7
221.15398	2.0
237.22171	2.2
255.11441	1.9
275.20056	6.7
289.18121	1.7
307.18970	8.2
315.19125	1.6
334.80972	1.6
370.28781	1.6
420.90085	1.6
451.46793	1.5
488.24554	1.9
581.38977	2.4
599.39117	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	599.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81712	1.0
56.66134	1.1
60.23788	1.0
67.05515	2.5
71.04980	1.5
72.67380	1.0
79.05474	2.8
81.03397	2.5
81.07055	6.4
85.02935	1.4
91.05486	2.6
93.07034	2.3
95.08590	1.6
98.71577	1.1
100.00054	1.2
105.07062	2.3
107.08622	2.6
110.30753	1.1
119.08589	1.6
121.10117	2.6
225.14943	1.1
261.81854	1.2
267.16284	1.5
283.15149	22.8
339.17691	11.4
410.94547	1.5
599.34119	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	599.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64454	1.2
55.05504	5.9
57.57597	1.2
62.61426	1.2
63.91072	1.5
67.05498	7.4
69.07054	5.9
73.49930	1.3
79.05468	7.4
81.07057	11.2
83.08584	3.1
91.05463	6.2
92.08574	3.0
93.07024	6.7
95.08577	8.8
105.07034	7.0
105.40155	1.5
107.08595	7.8
109.10151	3.4
119.08582	2.3
121.10136	6.0
123.93022	1.5
131.08508	2.2
133.10107	3.5
134.06792	1.5
135.11711	2.6
139.11156	1.4
143.08533	1.8
145.10149	1.6
150.58055	1.7
157.10127	2.3
161.13205	1.8
165.09093	1.8
183.07784	1.6
193.78168	1.7
197.13329	1.8
209.46860	1.7
250.17346	1.4
333.30899	1.9
351.09915	1.7
373.28558	1.4
426.92545	1.5
599.39111	100.0
600.39093	2.0
614.84888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3192
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
50.27003	0.3
53.00293	0.5
53.03954	0.7
54.81351	0.4
55.01867	0.7
55.05508	28.3
57.03432	15.4
57.06816	0.6
57.07071	13.2
59.04984	0.6
59.32349	0.4
67.05495	18.4
69.03410	0.7
69.07058	36.9
71.04987	0.9
71.08614	5.1
79.05472	10.8
81.03417	1.6
81.07042	23.2
82.89896	0.4
83.04961	0.8
83.08118	0.9
83.08609	22.7
85.06525	0.6
85.10168	2.0
91.05486	3.7
92.08598	1.0
93.07025	14.9
93.07571	0.8
95.04950	1.1
95.08588	21.0
97.06518	4.1
97.10148	12.0
98.98446	8.0
101.28050	0.4
105.07024	4.1
107.08583	10.2
109.02859	0.9
109.06537	0.5
109.10152	8.2
111.08073	2.2
111.11702	2.8
119.08556	4.0
119.90200	0.5
121.10123	11.4
123.08046	1.7
123.11707	1.6
125.09610	0.7
125.13389	0.4
126.64236	0.4
128.06233	0.6
131.08528	2.3
133.10136	2.5
135.08078	0.6
135.11673	6.8
137.09641	0.5
137.13261	0.6
139.11154	0.5
142.07722	0.5
143.08554	1.8
145.10115	2.4
147.08041	2.4
149.09598	0.6
149.13275	2.6
151.07521	0.7
153.12703	0.5
155.01027	2.8
155.08521	0.6
156.09355	0.4
157.10112	1.8
159.08005	0.7
159.11659	1.0
163.11150	0.6
165.09048	3.5
167.10663	0.7
168.09322	0.5
169.10089	0.7
170.10939	0.6
171.11601	0.5
173.13145	0.7
183.11710	1.7
197.13246	0.8
203.14320	0.9
213.12852	0.4
221.15286	3.8
247.16919	0.6
247.24181	0.6
265.25259	1.8
287.20135	0.6
290.71576	0.5
295.85025	0.5
339.28894	100.0
340.29196	0.8
376.25711	0.5
507.34348	0.7
596.97632	0.5
599.41986	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	598.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01864	2.7
55.05507	28.5
57.03423	7.8
57.07077	13.3
67.05145	3.6
67.05491	84.0
67.25491	1.4
69.03401	1.9
69.07059	27.0
71.08609	2.7
73.02937	2.1
74.54231	1.4
79.05464	24.6
81.03423	6.4
81.07037	100.0
83.08614	22.4
91.05470	17.1
93.07022	28.4
95.04964	2.0
95.08581	81.6
97.06531	6.1
97.10142	11.2
105.06991	16.0
107.08553	19.6
109.02854	6.6
109.10143	40.6
110.03673	1.7
111.08077	3.6
114.67278	1.5
119.08563	17.4
121.10108	23.1
123.11662	14.7
128.00993	1.4
133.10107	21.6
135.11650	9.9
137.13251	3.8
147.11662	8.8
149.13286	7.7
151.11206	2.5
151.14841	2.5
161.13251	15.5
163.14792	8.7
165.16399	3.6
175.14807	9.0
177.05444	2.2
179.17931	3.2
189.16350	2.3
245.22612	37.6
263.23648	46.3
337.27313	42.6
355.28403	4.0
469.14557	1.7
563.28729	10.5
599.11591	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	598.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.6
53.03930	9.4
55.01875	19.1
55.05492	7.6
56.14999	1.3
56.84048	1.6
57.03430	4.3
57.06810	2.5
57.07066	42.9
57.67048	1.5
57.94374	1.6
59.75555	1.7
61.02932	1.9
62.01899	1.5
67.05486	17.7
69.03416	35.6
69.07047	10.4
71.04977	15.0
71.08614	34.7
73.02904	10.2
79.05475	4.2
81.03403	52.6
81.07031	19.9
83.08610	10.7
84.24873	1.4
85.02895	16.6
85.10163	20.1
93.07018	3.4
95.08584	32.8
97.02863	42.2
97.10136	8.0
99.04433	82.4
105.07018	2.8
109.02873	58.3
109.10139	13.5
111.11697	1.9
119.08561	6.0
121.10136	2.2
123.11675	3.6
123.65371	1.6
127.03895	100.0
145.04919	10.7
157.10120	1.8
237.67429	1.6
239.23608	15.1
253.04944	1.7
335.25677	2.3
383.27905	41.6
401.28894	68.7
550.04083	1.9
591.92664	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	598.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
54.18361	0.2
55.01855	1.5
57.03426	7.1
61.02916	3.2
61.03190	0.4
62.26925	0.2
63.27421	0.3
63.98882	0.2
64.32905	0.2
69.03414	6.6
70.06551	0.3
71.01327	0.3
71.04969	0.5
73.02882	0.5
75.04456	1.7
79.05457	1.6
81.03395	3.0
81.07022	0.3
83.01315	0.4
85.02887	28.1
87.04438	0.4
88.18393	0.2
91.03940	1.1
91.05479	0.6
92.09308	0.3
94.04147	0.3
95.04943	0.6
97.02258	0.5
97.02869	8.4
99.04452	1.1
103.05451	1.1
103.89983	0.3
105.07011	23.6
107.04939	1.7
109.02840	2.3
109.06488	1.3
115.05372	0.4
121.02773	0.3
121.06485	0.6
122.03620	1.4
124.05173	0.4
127.03912	4.8
131.04895	0.4
133.06465	53.8
135.07991	0.4
137.05952	100.0
145.04922	4.6
149.06070	0.3
150.06737	0.6
151.07536	0.5
161.05957	0.4
161.09586	0.4
163.05977	1.4
163.07513	4.6
165.09074	26.4
168.03436	0.3
173.92035	0.3
175.07509	3.9
177.09052	1.3
181.08571	1.7
182.09294	0.5
183.10132	11.6
192.78818	0.3
193.08556	0.6
203.10617	1.8
209.11713	0.5
221.11598	2.8
239.12694	1.8
257.13782	55.5
273.78397	0.3
277.23331	0.3
535.38824	0.3
575.93530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.2
53.03937	1.8
55.01862	4.0
55.05507	26.2
57.03436	11.2
57.06845	1.0
57.07069	14.5
59.04978	0.9
59.39973	0.8
59.95322	0.9
60.59547	0.9
65.03912	1.1
65.64054	0.8
67.05491	81.4
67.15382	0.9
69.03418	1.4
69.07050	32.2
71.04987	1.4
71.08610	4.9
73.02879	1.6
79.05471	29.0
81.03391	1.3
81.07040	100.0
83.04974	2.0
83.08605	21.6
85.02889	2.4
85.06543	1.1
85.10177	1.5
91.05466	20.2
92.09359	1.9
93.07023	32.2
95.04940	2.3
95.08583	81.4
97.02876	1.4
97.06497	6.2
97.10150	11.4
97.60427	1.0
99.04493	1.3
99.08092	2.2
101.07193	1.2
105.07011	16.3
105.67159	1.0
107.08568	19.7
109.02862	5.0
109.09385	1.4
109.10143	41.3
110.03673	3.9
111.04429	1.8
111.08058	4.8
111.11691	1.8
117.06986	1.4
119.08566	17.6
121.10129	18.6
123.11674	14.8
125.09622	1.8
127.03840	4.2
133.10095	17.9
135.11664	9.4
137.09592	1.4
137.13228	5.9
141.12735	1.5
145.10123	1.6
147.11659	11.9
149.13254	8.8
151.11130	2.0
151.14806	2.2
155.14278	1.3
161.13232	12.0
163.07777	1.1
163.14767	5.7
165.16399	2.3
175.14812	8.5
177.16449	1.2
179.17876	2.3
181.15851	1.3
189.16499	1.9
191.00101	1.4
200.19353	1.1
245.22595	37.2
253.14415	1.5
263.23648	49.2
272.29578	1.0
290.57056	1.2
312.25299	1.5
337.27298	32.7
338.59201	1.1
339.28830	7.6
355.28363	4.3
563.28687	7.8
599.11261	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	598.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
54.81849	1.9
55.01862	3.3
55.05510	22.1
57.03415	11.6
57.07057	10.6
60.75324	2.0
62.45745	1.8
65.93298	1.7
67.05150	2.8
67.05493	72.1
69.07045	24.8
71.08599	3.4
72.39141	2.0
79.05476	21.7
81.03403	20.1
81.07037	100.0
83.04964	2.9
83.08612	26.9
85.02858	2.1
91.05460	26.9
92.09320	4.8
93.07029	31.8
95.08008	3.9
95.08585	80.0
97.06519	8.5
97.10146	11.3
98.98457	3.3
99.08083	2.5
105.07030	19.7
107.08585	22.7
109.02855	4.2
109.10139	36.0
111.08041	4.0
117.06966	2.1
119.08565	15.2
121.10139	16.3
123.11691	16.6
131.08534	4.4
133.10114	15.0
135.08057	2.3
135.11665	5.0
137.09572	2.4
137.13255	3.6
141.12802	2.3
147.11691	8.2
149.13226	4.7
149.56732	2.2
159.11694	2.3
161.13280	15.1
163.14833	4.8
165.16446	3.2
175.14787	4.5
177.80934	2.6
179.18022	7.0
180.90326	2.2
185.25179	2.1
189.16385	3.6
211.14362	2.4
239.12744	3.7
245.22595	33.4
258.47537	2.2
263.23651	54.5
275.20157	4.1
308.35196	2.0
337.27332	38.7
338.27640	9.0
355.28314	3.2
421.75134	2.4
483.95349	2.5
513.31824	13.2
563.28375	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	598.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03426	5.5
61.02909	0.2
69.03415	1.0
72.08124	0.2
73.02895	0.1
75.04460	2.3
77.03901	0.2
79.05469	1.5
81.03391	0.4
82.50362	0.2
85.02892	3.8
85.80969	0.1
91.05466	0.6
94.04202	0.2
95.04940	0.4
97.02874	1.6
97.03412	0.1
103.05473	1.3
105.07011	25.0
107.04931	2.1
109.02865	0.7
109.06499	0.9
110.09774	0.2
115.05421	0.4
117.06947	0.2
119.08567	0.3
121.06493	0.4
122.03632	1.2
124.05168	0.7
127.03907	0.4
131.04863	0.2
133.06467	54.3
135.04436	0.2
135.08008	0.7
137.05954	100.0
138.06305	0.3
145.04984	0.3
145.06505	0.2
147.08066	0.2
150.06743	0.3
151.07449	0.6
161.09593	0.6
162.06741	0.2
163.07507	5.3
165.09076	28.0
175.07483	3.8
175.11119	0.7
177.09053	1.2
179.07039	0.3
180.07805	0.3
181.08549	1.8
182.09346	0.7
183.10126	10.1
189.09081	0.2
191.10721	0.2
193.08540	0.4
203.10640	1.6
209.11716	1.2
221.11714	3.1
225.11301	0.2
239.12753	1.8
257.13776	51.8
258.14203	0.3
330.96771	0.2
390.09811	0.2
418.59772	0.2
500.46677	0.2
603.32953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1816
Annotation	5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside
Peak:m/z	Relative Intensity
53.03933	0.8
55.01857	2.2
56.59262	0.3
57.03429	6.3
57.03696	0.5
59.04994	0.3
61.02917	5.9
62.63197	0.3
67.01842	1.3
67.87267	0.3
68.99778	1.4
69.03069	0.6
69.03417	13.4
69.51112	0.3
69.99403	0.3
70.06562	0.4
71.01326	0.5
71.04957	1.6
73.02905	2.3
79.05518	0.3
80.48354	0.3
81.03401	6.4
81.07035	0.8
83.01314	0.5
85.02892	55.4
87.04469	0.5
91.03923	0.8
91.05465	3.8
92.09255	0.4
93.07003	0.6
95.04935	2.0
97.02863	13.0
99.04427	2.6
101.02315	0.4
103.03927	1.8
105.06999	1.9
106.06670	0.3
107.04924	2.8
109.02858	6.1
111.00831	0.4
117.06940	0.3
119.04916	12.3
119.08539	0.5
121.02844	3.5
121.06463	1.7
123.04425	3.9
124.99435	0.3
125.02340	0.5
127.03893	9.4
131.04921	0.5
131.08527	0.7
133.10155	0.4
137.05951	0.8
139.03835	0.4
145.04941	5.9
147.04388	48.0
149.02365	0.4
151.03893	1.6
153.01808	92.1
157.10078	0.3
163.03836	0.7
163.05952	0.4
165.01805	6.5
167.03360	0.5
171.02846	8.6
175.11116	1.8
177.01830	3.8
177.05486	0.4
179.03377	1.8
183.02884	6.1
187.03879	0.3
189.01701	0.4
189.05463	0.6
191.03340	6.2
195.02859	33.1
203.03503	0.5
207.06398	0.4
209.04449	0.4
215.03337	0.6
219.02852	8.6
231.02789	4.2
233.04489	0.7
243.02853	1.3
249.03877	1.5
261.03870	5.2
273.07523	100.0
274.08047	0.4
279.04849	0.6
285.07516	6.5
297.07700	4.0
314.07123	0.5
315.08585	7.0
339.08606	5.6
351.08652	2.5
363.08530	1.4
369.09595	0.8
381.09561	2.1
399.10602	3.0
417.11801	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	597.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40953	0.7
55.01874	3.9
55.05507	5.1
57.03432	3.3
61.02911	1.6
65.25034	0.8
67.05496	14.2
68.05837	0.9
69.03413	2.1
69.07060	3.7
71.04983	1.6
79.05466	6.9
81.03412	3.8
81.07047	13.3
83.04979	1.8
83.08601	3.3
84.05315	0.8
85.02925	3.2
85.37399	0.8
86.09700	1.0
90.92906	0.8
91.05482	7.9
92.05809	1.6
92.08761	1.1
93.07042	10.4
95.04971	3.7
95.08607	4.4
97.02905	1.7
97.06535	4.1
99.04451	1.3
105.07031	4.9
107.04954	1.8
107.08603	5.1
109.02933	1.3
109.06534	1.2
109.10166	1.8
111.08085	1.5
116.04702	1.1
117.07043	4.0
119.08578	3.9
121.06515	1.1
121.10133	1.5
125.09622	1.7
127.03971	1.4
129.05464	2.0
129.49365	0.8
131.08609	3.1
133.06558	0.8
133.10155	3.2
135.11642	1.1
137.05995	3.3
137.09581	0.9
145.04916	7.4
145.10143	1.3
148.12210	1.0
149.09619	1.1
149.13243	1.6
150.13545	1.0
154.12062	0.7
157.08539	1.5
159.03375	1.0
159.11726	3.3
160.07320	23.7
160.08524	1.3
162.67400	0.9
163.11214	1.4
177.12733	1.8
179.14371	0.8
184.07294	1.3
194.02373	0.9
229.14313	1.1
237.13989	1.1
251.07970	1.4
265.09598	1.5
269.17480	12.2
270.17776	1.6
279.11118	4.4
283.14133	22.2
337.11560	25.2
349.23761	1.4
350.24139	2.0
358.92426	0.9
399.23813	4.9
400.24139	5.3
597.26819	100.0
598.27045	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.5
56.96561	1.4
57.03420	3.9
57.92007	0.6
61.02927	0.6
67.05484	0.7
68.99831	0.7
69.03404	3.3
70.06560	1.1
71.04974	11.9
73.02921	0.6
74.21005	0.6
76.56423	0.7
81.03365	0.9
81.07029	1.1
82.06542	1.2
83.04973	2.9
83.08608	6.7
84.04465	0.6
84.99731	0.6
85.02886	22.8
85.06487	0.8
87.04440	0.8
91.05480	0.8
97.02873	2.6
98.97498	0.7
100.07594	10.2
100.10617	1.0
100.11221	23.0
101.11568	1.6
105.07066	0.6
107.04932	0.7
109.02843	1.3
110.05993	1.1
111.04433	8.9
112.04694	0.7
112.07592	1.2
119.04881	0.9
119.08516	0.8
120.18649	0.6
121.02818	8.5
121.10110	0.6
122.03594	3.1
126.09116	0.7
127.03901	0.8
128.06206	1.4
128.07056	6.4
129.05452	3.2
129.06943	7.0
131.04887	0.7
137.05952	100.0
139.08725	0.8
140.07005	2.7
147.04366	1.1
147.11678	0.9
149.05984	1.1
157.06447	6.5
161.05998	0.9
163.03989	0.7
171.07889	0.7
172.05199	1.1
174.06747	3.4
175.07562	3.6
182.15361	22.8
183.02878	0.8
183.15660	3.6
187.07492	10.0
189.09094	5.2
192.13737	0.8
199.07539	2.6
203.08553	5.5
209.16469	7.4
210.14853	26.9
210.16478	1.2
211.15201	5.4
213.05447	0.8
217.04933	0.9
217.08543	7.4
219.08008	2.6
226.19063	1.0
227.17485	2.5
228.15936	0.7
231.07919	6.2
232.08838	2.9
244.20227	1.6
247.07520	2.9
248.08235	6.8
255.06432	1.1
256.07184	3.4
259.07489	1.6
263.10629	6.8
271.05951	3.7
271.09637	0.8
276.07526	4.7
277.08551	2.6
279.10291	2.5
283.05945	25.3
284.06592	17.5
285.07007	4.4
286.07175	0.8
291.10086	13.3
292.10849	0.8
293.08069	4.4
295.05841	7.0
296.06250	0.9
296.10355	1.1
297.07443	6.4
308.10330	2.8
309.07529	1.6
311.12802	1.6
313.03336	1.6
313.06992	47.4
314.07291	10.5
315.07614	2.7
323.05789	1.0
323.09091	5.5
323.12704	26.0
325.06964	0.9
327.01550	1.4
329.03226	1.0
337.06927	10.0
337.21225	0.9
338.07370	1.2
339.01633	1.0
341.03326	0.8
341.13791	10.6
343.07986	3.3
344.01926	3.0
345.02710	12.6
351.01855	3.1
351.08597	3.0
354.00333	4.0
354.23749	1.6
357.02765	8.1
358.03198	0.8
359.04041	1.2
363.03754	4.1
367.07977	3.9
369.02579	6.2
372.01404	4.1
373.02197	3.3
375.03729	4.0
379.07895	3.4
381.02298	0.8
383.14774	6.6
387.03769	48.5
388.04095	7.0
389.05701	0.8
391.03214	2.6
397.09204	7.1
398.09329	1.3
399.03476	0.9
405.04816	19.1
406.05423	1.1
415.10052	7.5
416.10434	1.0
417.04816	7.0
429.04703	1.0
433.11273	14.1
434.12030	0.9
435.05734	4.4
435.11215	0.8
459.12332	1.0
465.09152	1.6
465.59296	0.8
470.36209	0.8
489.06769	1.3
525.11230	1.1
533.09198	0.9
579.17224	7.3
580.16748	1.4
580.40527	4.8
581.40662	3.0
597.16888	1.6
597.43341	13.2
598.14941	3.7
598.43408	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	596.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
57.07082	0.5
67.05499	0.7
73.03477	0.4
79.05452	0.9
81.07032	1.0
85.43700	0.4
91.05470	0.9
92.63902	0.4
93.07028	1.0
95.08570	0.9
98.98434	4.1
107.08576	0.6
107.22698	0.4
117.05676	0.5
118.06453	0.6
119.07315	0.5
121.10104	0.5
124.99974	16.2
134.09627	16.2
144.08043	4.8
145.08861	4.0
160.11185	100.0
160.23225	0.5
172.49635	0.5
178.12222	6.5
258.08841	67.2
355.90686	0.5
369.09622	0.5
541.35144	0.5
578.35748	0.6
596.36890	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90803	1.8
53.03940	2.2
53.15200	1.7
55.05502	18.0
57.03425	8.6
57.07060	2.7
66.83326	2.0
67.05496	72.0
68.65596	2.1
69.07043	13.4
71.04971	13.2
75.32239	1.9
79.05477	37.4
81.07041	100.0
83.08597	10.3
85.06526	9.1
91.05467	26.1
93.07030	39.9
94.65343	2.0
95.04932	2.1
95.08596	27.3
97.06499	3.6
105.07006	17.3
107.08579	18.1
109.10128	14.0
109.69361	2.0
117.07022	2.7
119.08572	5.1
121.10107	14.7
123.11674	9.7
131.08536	5.3
133.10120	12.1
135.11691	3.0
144.44028	2.3
151.11182	3.9
190.91139	2.2
198.88300	2.0
269.17569	4.8
295.75079	2.0
301.20062	11.5
311.29343	3.0
313.41055	2.3
334.84482	2.6
335.25726	18.4
343.64490	2.0
503.37189	71.0
529.38232	3.1
561.41351	40.3
596.59528	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	597.1808
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.25897	1.2
55.01459	1.1
55.01867	10.1
57.03415	4.9
61.02930	1.3
65.03927	2.7
67.05478	1.4
68.99780	2.1
69.03405	2.7
71.79758	1.1
72.78620	1.0
74.20048	1.3
77.93130	1.0
79.05479	3.0
79.93436	1.1
81.03393	8.0
81.07066	1.6
81.90899	1.3
83.01334	1.3
83.04975	1.5
85.02886	23.6
85.30051	1.3
87.04436	1.3
91.05469	7.3
93.03386	13.4
93.07014	2.4
94.62836	1.2
95.01315	3.0
95.04948	9.6
97.02866	16.8
98.97559	5.9
99.04423	1.9
103.03934	2.7
103.05453	1.5
105.03367	4.9
105.07001	2.9
107.01292	1.8
107.04931	31.8
109.02859	14.7
109.06512	2.1
111.04431	6.4
115.05432	5.1
116.98615	2.0
117.07005	5.1
119.04917	12.4
121.02830	32.2
121.06477	13.2
123.04391	13.7
127.03886	1.7
131.04918	7.9
133.02873	1.4
133.06453	10.5
135.04381	21.6
137.02292	1.5
137.05963	10.9
139.03896	8.6
141.01775	1.6
145.02827	1.3
145.06464	2.7
147.04361	31.2
147.08054	1.2
149.02322	8.3
149.05943	7.0
151.03905	9.5
153.01816	11.2
153.05472	1.4
155.04836	1.3
158.99632	2.0
159.04359	12.9
161.02353	5.6
161.05905	9.3
163.03879	14.2
165.01805	12.7
165.05469	1.5
166.35355	1.2
167.03354	1.9
171.04314	2.2
173.02316	7.7
173.05922	13.5
175.00253	6.3
175.03870	9.1
175.07466	2.3
177.01831	20.5
177.05409	10.5
179.03456	2.1
183.02850	5.3
185.05965	3.1
187.03859	15.6
187.07480	1.7
189.01810	29.8
189.05461	4.8
191.03366	20.6
193.01332	1.4
195.02847	44.9
197.13379	1.4
199.03903	2.1
201.01788	7.2
201.05455	17.0
203.03351	19.3
205.01260	10.6
205.04906	10.2
207.02847	56.7
209.04430	2.1
211.03882	2.3
213.05428	2.6
215.03395	16.3
215.07021	2.4
217.01294	2.5
217.04919	5.8
219.02849	97.4
221.00867	2.6
221.04384	8.7
223.02283	12.7
225.03856	32.1
226.33362	1.4
227.03363	7.2
229.01401	1.6
229.04926	23.6
231.02827	52.4
231.06381	2.6
233.04376	27.3
233.06354	1.6
237.03857	25.6
239.03404	1.8
241.01358	1.5
241.04904	6.8
243.02809	31.0
243.06499	6.8
245.04248	10.7
247.05978	8.5
249.03870	25.3
251.05420	1.6
255.02898	15.5
255.06250	1.6
257.04401	22.4
259.02182	3.0
259.06042	1.4
261.03876	100.0
267.02811	2.8
269.04385	7.6
271.02615	1.5
271.05902	9.0
273.03839	44.4
273.07343	4.5
275.02179	1.4
275.05435	5.9
281.04468	6.3
285.03879	47.4
285.07175	2.5
286.04291	1.4
287.05316	2.0
289.03360	2.1
291.04926	28.6
297.03891	20.7
297.07504	14.4
299.05414	12.8
303.04926	28.4
309.03751	3.0
309.07349	5.6
311.05362	2.4
315.05017	11.2
315.08588	1.9
321.05994	18.7
327.04895	36.2
327.08597	17.1
339.08234	22.6
345.06134	10.6
351.08618	10.7
357.05969	7.9
358.08057	3.1
363.07098	18.5
369.05811	2.7
375.07269	5.6
381.09592	19.9
387.07095	6.0
393.09268	16.3
405.08261	21.5
411.10565	8.4
417.09805	2.7
423.09872	14.9
429.11832	19.3
441.10931	24.2
447.10748	14.7
459.12573	21.7
465.11526	3.1
477.11841	5.3
483.12921	8.0
495.12500	11.2
507.12711	6.5
525.13593	7.5
526.81274	1.4
543.14838	8.5
558.02521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
54.80795	0.6
55.01868	13.3
55.05504	17.2
57.03174	1.0
57.03432	17.5
59.04971	0.8
61.02919	5.1
67.05147	1.1
67.05495	29.6
68.06266	0.8
69.03417	6.2
69.06717	1.0
69.07057	18.9
71.01344	1.3
71.04984	5.5
73.02905	5.5
79.05472	21.4
81.03394	10.5
81.07040	33.0
83.04967	9.7
83.08621	6.1
85.02911	5.2
85.06562	0.8
86.09690	0.8
91.03934	1.3
91.04955	1.1
91.05463	16.9
93.07029	21.0
95.04947	12.6
95.08581	14.2
96.05731	1.4
97.02878	5.5
97.06510	12.9
97.10144	8.3
98.07290	1.6
99.08077	1.3
103.03860	0.7
103.05453	0.9
105.07010	12.1
107.04948	6.8
107.08591	11.7
109.02879	3.0
109.06518	8.9
109.10153	13.6
111.04430	3.4
111.08072	3.6
111.08825	0.6
115.05450	0.9
115.07571	1.0
116.04699	9.8
117.07001	5.6
119.08567	10.0
121.06462	2.8
121.10145	7.6
122.07280	0.9
123.04394	3.9
123.08009	4.6
123.11700	0.9
125.09586	5.4
127.03886	0.9
129.05458	28.2
129.07004	2.8
131.08549	7.4
133.06470	1.6
133.10103	8.2
135.07980	5.8
135.11667	4.8
137.05959	3.6
137.09612	9.0
139.11180	0.8
143.07013	8.9
143.08554	1.6
145.06450	1.2
145.10104	6.9
147.04369	0.8
147.08043	3.2
147.11641	4.7
149.09572	3.0
149.13298	2.3
151.07503	1.5
151.11301	0.8
151.18549	0.6
153.09087	0.8
155.10608	1.3
157.08580	14.7
157.10065	4.3
159.11658	3.3
161.09596	2.7
163.11159	3.4
165.09077	1.3
165.12750	1.3
171.10185	5.0
171.11520	1.2
173.11809	0.7
173.13275	1.1
175.11186	2.7
177.12709	1.6
184.07448	0.9
185.11723	0.8
189.11143	3.3
189.12648	0.8
193.12225	5.4
195.13785	0.8
211.12996	0.7
221.11591	5.3
229.14262	2.3
239.12714	3.8
245.18994	1.1
261.18472	0.8
268.16589	1.2
269.17435	6.6
273.18457	5.5
275.19675	0.8
289.17694	0.7
291.19467	3.6
295.15280	1.3
313.16425	2.7
349.23798	1.4
363.21872	0.8
365.23132	10.5
381.22485	2.9
381.26611	1.0
399.23712	100.0
475.26892	1.2
542.96832	0.8
561.28613	3.6
577.02521	0.9
597.26410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81587	2.3
55.01860	13.6
55.05505	68.4
57.03423	25.7
57.07061	3.7
59.04995	5.7
59.64905	2.5
61.02915	4.5
67.05495	100.0
69.03420	5.7
69.07047	11.6
71.01338	2.9
71.04980	3.0
72.97325	2.5
73.02906	3.2
79.05470	35.7
81.03397	19.3
81.07039	40.5
83.04974	13.8
83.08611	24.5
85.02881	29.4
87.04445	5.1
91.05459	19.3
92.08668	3.0
92.68974	2.9
93.07011	20.4
95.04960	3.5
95.08585	14.5
97.02873	6.1
97.06497	3.1
97.10144	44.7
105.07018	6.2
107.04978	4.8
107.08574	19.1
109.06564	2.6
109.10144	89.5
111.08086	5.2
117.07014	5.2
119.08549	12.0
121.10149	5.5
125.09625	27.4
131.08525	4.5
135.11716	4.0
145.10045	6.2
153.12755	5.9
163.11162	11.1
173.11670	27.9
181.12175	4.7
199.13252	4.0
209.11737	3.7
217.14360	3.7
227.12692	6.5
229.14296	40.8
242.76382	3.1
248.01486	3.0
257.13742	15.9
283.15366	12.9
301.16461	37.4
319.17563	6.9
356.04419	3.1
433.89249	3.0
501.64056	2.9
511.84863	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01868	15.5
55.05507	19.2
57.03430	18.9
59.05004	0.7
61.02911	6.6
67.05492	35.8
69.03416	5.3
69.07057	17.8
71.01354	1.0
71.04972	6.4
73.02890	7.3
79.05476	23.7
81.03398	8.3
81.07040	32.2
83.04967	9.8
83.08596	8.4
85.02888	6.3
85.06526	1.5
85.16862	0.7
86.09708	1.3
91.03956	1.1
91.05465	21.8
93.07022	25.9
95.04947	14.8
95.08573	10.3
96.05746	1.6
97.02852	6.2
97.06503	14.1
97.10137	9.6
99.08060	1.0
101.05995	1.5
103.05364	1.0
105.07001	12.6
107.04941	8.7
107.08583	13.8
109.02866	4.0
109.06511	10.2
109.10144	14.6
111.04447	1.7
111.08086	3.8
113.02406	0.9
115.05437	1.3
115.07568	1.5
116.04699	11.3
117.06988	5.6
119.08549	12.5
121.06491	5.7
121.10137	7.5
123.04413	6.2
123.08046	4.1
125.05987	1.3
125.09618	7.0
129.05449	29.1
129.06996	3.5
131.04880	1.0
131.08585	8.4
133.06462	1.4
133.10136	7.4
134.18256	0.8
135.08017	6.1
135.11670	5.7
137.05965	3.6
137.09596	10.1
139.07491	1.0
141.07101	0.8
143.07045	7.7
143.08546	1.4
145.06490	1.7
145.10112	5.4
147.08002	5.9
147.11661	5.8
149.09608	4.0
149.13298	2.0
153.09158	0.9
155.08583	1.5
155.10611	1.6
157.08595	18.6
157.10091	4.0
159.11713	3.8
161.09586	3.9
163.07321	1.1
163.11125	4.0
165.09074	1.0
165.12669	1.9
167.10651	1.1
171.10146	5.1
171.11595	1.4
173.09572	1.7
173.11795	1.6
175.11189	3.3
177.05437	1.2
177.12701	1.6
183.11569	0.8
184.07295	1.7
185.13210	1.0
189.11208	3.0
193.12183	5.9
221.11671	6.6
225.37744	0.9
229.14296	6.2
239.12738	4.0
269.17435	5.3
273.18430	5.4
291.19528	3.3
295.15173	1.1
313.16452	1.4
347.22180	1.2
349.23608	1.1
365.23245	11.3
399.23718	100.0
452.98099	0.9
475.26486	1.1
498.48038	0.8
561.28473	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	596.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81815	1.0
51.82634	1.0
53.03936	1.5
54.81520	1.0
55.01869	2.9
55.05503	18.8
57.03419	7.4
57.07056	5.0
62.80188	1.2
64.09190	1.1
65.03933	2.1
67.05493	100.0
69.03413	1.8
69.07057	18.0
71.04961	4.9
73.02883	2.7
74.69869	1.1
79.05476	56.7
81.03408	5.2
81.07040	99.7
83.08582	11.1
85.02885	2.8
85.06506	2.1
91.05463	32.9
93.07026	75.9
95.04936	5.8
95.08583	85.2
97.06544	5.4
97.10157	4.9
98.39297	1.4
99.04419	5.0
99.08051	2.6
105.07017	28.4
107.08572	49.9
109.02891	8.8
109.06528	1.5
109.10136	42.5
110.03671	2.2
111.04379	2.2
111.08105	2.1
115.15556	1.1
116.06116	1.4
117.07007	14.4
119.08545	22.4
121.10118	45.8
123.08002	1.6
123.11678	17.1
124.61184	1.3
127.03902	5.6
130.21765	1.2
131.08539	26.7
133.10109	23.1
135.08069	1.7
135.11665	24.8
137.09576	1.9
137.13203	5.2
145.10104	17.1
147.11649	15.1
149.13229	22.7
151.14825	1.3
159.11676	16.8
161.13269	9.0
163.14754	11.3
173.13190	18.0
175.14931	1.4
176.16905	1.3
177.16368	7.0
187.14778	9.8
191.00122	2.0
191.13995	1.2
201.16432	2.5
233.22531	2.4
243.21004	31.3
261.22073	76.0
279.23154	2.5
335.25717	27.0
353.26810	46.0
397.09741	1.4
451.21454	1.8
561.27216	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	596.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58459	0.2
53.03942	0.3
55.01846	1.2
55.18964	0.2
57.03428	6.5
60.74384	0.2
61.02911	2.9
69.03416	5.5
70.06552	0.3
71.04971	1.4
72.89003	0.3
73.02897	0.6
75.04453	1.8
78.88685	0.3
81.03398	3.1
85.02886	24.9
87.04441	0.4
90.99546	0.3
91.03915	0.7
91.05443	1.3
92.09269	0.4
93.07024	0.4
95.04955	0.5
97.02866	7.9
99.04434	3.9
102.04662	0.4
103.05445	27.4
105.03328	0.4
105.06993	2.1
106.06577	0.4
107.04924	0.4
109.02862	2.6
110.03638	0.7
115.03846	0.4
115.05369	0.3
117.05478	4.3
117.06917	0.3
119.04915	1.8
121.06476	1.3
122.28646	0.3
123.04394	2.6
124.05177	0.6
127.03900	4.8
129.06940	0.5
130.04120	3.6
131.04900	100.0
133.06471	2.6
137.05977	4.4
138.06725	1.9
145.04950	4.4
145.06474	0.6
147.04405	1.2
147.07993	0.4
148.05167	48.4
149.05692	0.3
150.05605	0.3
151.07527	1.3
152.66882	0.3
157.06511	0.4
160.05173	1.5
161.05948	8.8
162.06702	4.2
163.07501	49.9
166.06224	3.5
175.07538	2.1
181.08527	3.0
189.09062	0.3
191.94449	0.3
201.09050	1.2
204.07715	1.0
205.08611	0.6
219.10130	1.7
237.11174	29.9
255.12213	7.8
279.10486	0.5
399.16443	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	596.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
53.73151	0.2
53.93187	0.1
55.01861	0.4
57.03423	4.8
59.83858	0.2
61.02913	1.0
61.65767	0.2
69.03416	3.5
70.06584	0.3
71.04962	0.3
73.02895	0.4
75.04465	1.7
79.05473	0.3
81.03390	1.8
81.07076	0.2
85.02884	9.4
87.04451	0.2
91.05449	0.7
95.04926	0.3
97.02864	3.1
99.04433	1.0
102.04665	1.2
103.03969	0.8
103.05444	28.5
105.06998	3.4
107.04962	0.4
109.02837	1.3
110.03625	0.3
115.05417	0.2
117.05479	0.2
117.06991	0.3
119.04915	0.8
121.06485	0.8
123.04381	0.3
124.05202	0.2
127.03894	2.0
129.06963	0.4
130.04112	4.2
131.04897	100.0
132.05241	0.5
133.06465	4.1
135.08070	0.2
136.32654	0.2
137.05948	3.5
138.06749	0.8
145.04938	1.1
145.06422	0.3
147.04373	0.9
147.08040	0.2
148.05162	47.5
149.05786	0.2
150.06734	0.4
151.03758	0.2
151.07515	0.7
152.16531	0.2
157.06384	0.7
158.07266	0.2
159.07988	0.3
160.05188	1.4
161.05939	7.4
162.06717	4.3
163.07498	47.1
165.09052	1.2
166.06232	1.2
169.06526	0.2
175.07503	2.0
181.08513	1.4
189.09114	0.3
197.64488	0.2
201.09097	1.3
204.07738	0.8
205.08586	0.8
219.10207	1.8
219.13730	0.3
233.28922	0.2
237.11163	24.2
255.12129	2.3
281.59991	0.2
288.98404	0.2
399.11664	0.3
399.16373	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	596.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01859	4.8
55.05507	16.7
56.83501	0.9
57.03435	10.1
57.07063	4.6
58.49541	0.8
60.00722	0.9
60.56606	0.9
65.03925	1.3
67.05492	90.4
69.03416	5.0
69.07051	18.1
71.04971	2.4
73.02907	1.5
79.05475	55.5
81.03394	6.1
81.07040	100.0
83.04992	1.1
83.08614	8.6
85.02870	3.2
85.06548	2.0
85.10202	1.0
91.05466	27.5
91.83551	1.0
93.07025	78.7
95.04955	6.2
95.08588	78.9
97.02883	2.5
97.06527	4.3
97.10150	4.1
98.23186	0.9
99.04443	2.4
99.08065	1.6
105.07006	22.8
105.07651	1.3
107.08581	47.8
108.76848	1.2
109.02895	6.3
109.10141	38.2
110.03659	4.5
111.04437	1.9
111.08084	1.8
113.06655	1.1
117.07005	15.0
119.08554	21.2
121.10123	46.3
123.11687	16.1
127.03900	2.5
129.78078	0.9
131.08553	25.3
133.10124	17.7
135.11659	29.0
137.13235	6.2
145.10109	18.7
147.11670	10.9
148.64771	1.0
149.13235	20.3
151.14803	1.5
159.11673	14.1
161.13228	10.7
163.14812	11.7
173.13211	14.3
175.14827	4.7
177.16362	4.3
179.14284	1.9
187.14702	7.2
191.00076	3.8
201.16414	1.8
215.17943	1.3
233.22646	1.4
243.21031	26.5
261.22089	71.7
263.06915	1.1
279.23203	3.9
335.25732	20.6
353.26788	39.1
428.74530	1.1
451.21347	1.5
561.27319	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	596.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87811	0.2
53.03936	0.3
55.01875	0.4
57.03429	4.7
61.02908	1.0
66.39327	0.2
69.03419	2.5
70.64722	0.2
71.04965	0.4
73.02909	0.5
75.04469	1.5
81.03390	1.7
81.37955	0.2
85.02892	8.6
85.62356	0.2
87.04420	0.3
91.03941	0.2
91.05470	0.3
97.02852	2.6
99.04440	1.0
102.04673	1.0
103.03970	0.9
103.05449	28.0
105.07012	3.6
107.04920	0.2
109.02859	1.2
115.05430	0.9
117.05402	0.2
117.06980	0.5
127.03897	1.5
128.06187	0.2
130.04117	4.4
131.04904	100.0
133.06470	4.4
134.99133	0.2
135.08037	0.2
137.05994	2.0
145.04933	1.2
145.06441	0.5
147.04385	1.0
148.05173	46.6
150.06749	0.8
157.06474	0.8
158.07257	0.2
160.05154	1.3
161.05951	6.6
162.06734	4.3
163.07509	46.5
164.07816	0.3
165.09068	1.3
166.06239	0.4
173.09570	0.8
175.07503	1.2
181.08507	0.4
181.13670	0.2
187.07466	0.2
189.09084	0.3
201.09117	1.2
204.07716	0.5
205.08531	0.3
209.70920	0.2
219.10332	1.4
225.68208	0.2
237.11182	23.2
255.12221	0.5
258.91504	0.2
279.18671	0.2
399.16440	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	595.1655
Annotation	Apigenin 7-allosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03928	1.0
54.81706	0.8
55.01863	1.4
55.05510	1.0
56.05016	0.8
57.03418	3.7
58.99583	0.7
59.44590	0.6
61.02911	1.5
67.00095	0.6
67.05493	1.3
69.03419	8.8
71.04986	1.4
72.08177	0.6
73.02885	1.4
76.02200	5.3
79.01853	0.9
79.05463	1.6
81.03388	4.4
81.07027	4.3
83.06042	0.9
85.02439	0.8
85.02897	15.1
86.09731	0.7
91.05474	2.9
93.07049	1.6
95.04922	0.7
95.08607	0.9
97.01101	0.9
97.02866	5.5
97.06487	0.7
99.04445	1.3
105.07005	1.1
107.08602	1.2
109.02862	3.1
109.10128	1.2
111.02660	1.2
116.01656	3.9
119.04939	3.5
119.08568	1.1
121.02845	15.6
121.06453	0.8
122.06022	1.0
124.07533	0.9
127.03908	3.3
129.06761	0.7
131.08595	1.1
133.10083	1.0
137.05986	5.0
138.09174	1.0
144.01067	1.2
145.02831	4.0
147.04419	1.4
152.07097	0.7
153.01776	5.6
161.05956	1.0
162.02089	0.9
163.03864	0.8
164.06984	0.9
167.03435	0.9
171.02824	1.3
175.07559	0.9
177.01874	0.8
179.04773	1.1
183.02785	1.0
205.04951	1.3
213.05429	1.5
217.04852	1.1
234.69997	0.8
243.06398	0.9
252.14191	1.4
255.06458	3.2
256.07242	3.5
259.05984	0.9
261.03641	1.1
267.06445	1.2
269.07651	0.8
271.05948	100.0
272.06641	0.8
283.02771	1.4
283.05948	43.9
284.06732	29.7
285.07385	1.1
289.15518	1.0
295.05969	21.8
297.07492	12.3
308.06607	1.5
309.07486	6.0
311.05402	3.4
313.07001	87.5
323.05569	1.3
323.09042	9.3
325.07022	3.8
337.07065	14.5
343.08014	4.0
351.08417	5.8
367.08209	6.2
379.08127	5.7
380.19815	1.2
397.09079	13.6
408.18964	0.8
415.10165	22.6
426.20059	1.4
433.11197	30.6
447.21457	3.7
448.21796	0.9
561.08228	0.8
565.26465	1.1
577.24121	0.8
590.73102	0.9
595.15442	7.1
595.25507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.8
53.03930	2.3
53.63632	0.5
55.01871	0.8
55.05267	0.8
55.05507	14.4
55.99502	0.4
57.03174	1.0
57.03431	14.9
57.07073	0.9
59.06102	0.6
60.66705	0.5
65.03925	0.9
67.05495	56.5
69.07054	13.1
72.78405	0.7
79.05481	31.4
81.03399	2.5
81.07041	45.4
83.04986	1.1
83.08598	5.1
84.25151	0.5
85.06539	0.8
87.11231	0.5
88.23164	0.6
89.87444	0.5
91.05454	14.8
93.07025	32.0
95.04935	3.3
95.08592	33.4
97.06526	1.3
97.10117	1.4
98.98447	11.4
105.07018	9.1
107.08579	13.4
109.02844	2.3
109.10148	11.5
117.07013	1.2
119.08546	5.9
121.10123	10.4
123.08028	1.1
123.11681	3.0
129.06944	0.6
131.08554	4.0
133.10097	3.7
135.11679	5.2
145.10083	2.5
147.11703	1.1
149.13235	3.6
155.01004	1.0
159.11673	1.1
163.14925	0.6
173.13245	0.8
205.95895	0.6
261.03741	0.6
261.22223	0.8
265.37518	0.6
335.07367	0.7
335.25748	100.0
541.29260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
51.84761	0.8
54.41480	0.8
57.03432	1.2
58.39540	0.8
63.63830	0.8
65.34499	0.9
70.93647	0.8
71.04974	1.4
73.39169	0.9
79.01832	1.8
81.03421	1.0
85.02894	8.8
92.08714	2.1
105.30473	1.0
119.04939	1.2
121.02846	13.1
135.04376	1.7
137.02322	14.2
145.02872	1.7
147.04460	1.9
160.60419	0.9
161.02347	1.3
163.03867	1.5
165.01840	3.8
183.02853	1.2
186.42583	1.0
187.03877	0.9
189.01761	1.2
189.05630	0.9
191.03328	2.0
195.02844	3.8
199.03946	1.2
203.03293	3.4
205.05060	1.1
207.02843	2.3
213.05528	1.2
215.03316	1.0
217.04945	5.4
219.02928	2.1
229.04930	3.6
233.04521	1.8
243.02885	1.8
243.06544	1.7
259.05948	6.0
261.03876	5.0
271.05893	4.5
272.06699	5.3
275.05783	1.1
281.07944	1.6
283.05936	14.4
284.06686	7.4
287.05463	8.7
294.05182	5.1
295.05978	28.6
297.07635	5.5
299.05453	71.4
300.06219	37.7
301.07217	3.1
307.06030	12.7
308.06870	4.5
309.07468	4.0
311.05447	19.2
313.07001	29.8
319.06137	1.6
321.07513	8.6
322.08176	1.5
323.05518	1.2
323.09015	3.3
324.06241	1.9
325.07001	29.6
327.04968	2.2
329.06485	100.0
333.07544	1.3
335.09137	5.9
337.06982	17.3
339.08560	16.7
341.06433	4.4
343.08115	1.6
347.09070	1.9
349.07001	10.4
351.08585	7.2
353.06522	22.6
355.07925	4.2
359.07703	7.4
361.06995	4.6
363.08612	1.2
367.08105	10.4
379.07968	12.0
383.07458	8.4
391.08002	6.3
395.07510	9.3
403.08020	2.1
409.08859	7.9
413.08554	20.2
415.09695	1.9
421.09161	4.5
427.10092	6.2
431.09680	19.4
433.11240	13.9
439.09848	4.0
449.10669	78.2
457.11319	12.8
475.12155	2.2
481.11072	5.1
499.11832	1.5
511.12100	4.1
523.12262	4.2
529.13226	1.9
541.13110	5.1
559.14410	2.2
577.15320	3.8
595.16376	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Apigenin 7,4'-dialloside
Peak:m/z	Relative Intensity
55.01865	0.7
57.03431	1.6
61.02911	3.1
69.03411	5.1
73.02895	1.0
81.01454	0.6
81.03397	3.1
85.02892	9.1
86.04361	0.5
87.04478	0.5
97.02876	4.2
99.95981	0.6
109.02863	1.4
119.04917	2.9
121.02851	13.0
127.03858	1.2
145.02863	0.9
163.03886	1.0
165.01743	2.7
171.02864	1.1
195.02849	1.5
213.05473	2.5
217.04898	1.3
227.07111	1.0
228.07797	0.7
243.02788	1.1
243.06476	2.8
255.06499	3.2
256.07330	5.8
259.05942	2.5
261.03888	1.4
271.05923	5.1
283.05957	55.6
284.06738	34.5
285.07480	2.7
295.05984	18.7
297.07526	9.2
307.05981	1.5
308.06644	1.1
309.07541	5.2
311.05487	1.0
313.07004	100.0
314.07452	1.2
323.05585	1.8
323.09091	11.8
325.06946	3.6
327.08716	1.2
337.06970	20.9
341.06125	0.8
343.08127	3.6
349.07098	1.2
351.08749	4.9
355.07901	1.1
367.08243	6.0
379.07874	6.7
397.09171	19.0
399.74216	0.7
415.10172	20.9
429.42856	0.7
433.11224	39.5
595.07324	1.0
595.16431	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	595.1652
Annotation	LMPK12110312
Peak:m/z	Relative Intensity
50.15887	0.4
51.52367	0.4
53.03910	0.9
55.01848	1.0
57.03402	0.9
61.02890	1.0
67.05455	0.4
67.81873	0.5
69.03419	6.2
71.04951	0.5
73.02865	0.6
73.65371	0.4
74.09139	0.4
77.97260	0.5
79.01828	1.2
81.03413	4.0
85.02895	8.5
89.35393	0.5
97.02872	4.4
99.04387	0.6
106.32244	0.5
109.02841	1.1
119.04885	3.0
121.02849	24.2
127.03868	1.0
129.62285	0.5
136.02248	0.5
141.01816	0.5
145.02824	1.9
146.47514	0.6
149.02351	0.5
151.03896	10.5
151.05017	0.9
163.03894	2.1
165.01764	2.3
171.02934	0.8
172.94824	0.6
179.03239	0.6
183.02859	2.9
187.03786	1.1
195.02937	0.9
205.04926	1.0
213.05403	5.1
217.04985	5.4
219.02856	0.8
227.07080	0.6
228.07784	0.5
231.06631	0.6
233.04413	0.8
239.06898	0.5
241.04851	1.0
242.09573	0.5
243.02870	2.5
243.06572	1.6
255.06503	5.3
256.07257	6.9
259.05981	3.2
261.03894	4.6
267.06430	0.7
270.05228	1.8
271.05930	7.4
279.06720	0.6
280.07278	0.6
283.05969	91.7
284.06747	42.3
285.07352	2.6
295.05948	18.7
297.07581	19.3
299.05396	2.6
307.06006	1.0
308.06802	4.6
309.07657	5.7
311.05423	4.2
311.08838	1.2
313.07025	100.0
314.07294	1.0
321.07712	0.8
323.05450	3.1
323.09076	22.8
325.06946	7.2
327.08545	2.4
337.07028	22.9
343.08163	7.6
349.07092	2.8
351.08566	8.1
355.08179	2.3
367.08090	15.0
369.09525	0.6
379.08081	12.6
397.09131	29.7
415.10187	25.9
433.11249	27.9
433.17163	0.6
575.92328	0.5
577.15350	0.7
595.16492	64.3
596.17017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44777	0.6
54.81849	0.6
54.95516	0.6
55.05508	1.2
57.03408	0.7
64.60418	0.7
67.05492	4.1
69.07057	1.0
77.99862	0.6
79.05480	3.0
81.03413	1.4
81.07032	2.8
91.05481	3.0
92.08656	1.1
95.04925	1.1
95.08595	1.2
98.98438	4.7
101.36983	0.7
105.07037	1.5
107.08592	1.6
117.07077	0.7
119.07216	0.8
119.08559	1.3
124.28373	0.8
124.99990	15.6
131.08586	1.2
133.10100	1.3
134.09619	15.5
144.08066	6.5
145.08833	4.4
145.09967	0.7
160.11191	100.0
163.11128	0.7
178.12265	6.2
194.07002	0.7
258.08856	72.4
275.20020	1.0
305.02963	0.9
349.23657	0.9
541.35071	2.6
559.36371	1.4
576.34326	1.0
594.35077	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	594.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47958	1.0
54.81479	1.2
55.01859	7.7
55.05505	26.6
56.56170	1.0
57.03425	20.2
59.04968	1.2
67.05488	31.8
67.05827	1.4
69.03402	2.6
69.07068	8.6
71.04978	2.7
76.55989	1.2
79.05473	35.4
81.03395	85.3
81.07035	30.9
83.04972	12.4
83.08604	24.8
85.02841	1.4
85.06499	1.2
91.05450	23.5
93.07010	28.6
95.04939	31.2
95.08593	13.7
97.06505	6.8
97.10136	22.7
105.06338	2.5
105.06993	23.7
107.04944	22.5
107.08562	20.2
109.06511	17.0
109.10116	8.9
111.08064	7.3
115.05416	1.8
116.29828	1.1
117.06998	10.8
119.08550	16.8
119.39727	1.3
121.06483	16.5
121.10149	12.7
123.04401	1.7
123.08064	5.9
123.11623	1.5
125.09612	19.1
129.06950	12.3
131.04890	3.0
131.08508	15.5
133.06458	6.5
133.10117	9.7
135.08002	7.7
135.11681	1.9
137.05901	1.3
137.09608	2.0
142.07765	2.2
143.08545	2.7
145.06462	13.9
145.10126	6.4
147.08044	7.6
147.11661	8.7
149.09587	10.1
151.11249	1.5
153.09079	2.9
157.10085	12.3
159.08015	1.4
161.06010	1.3
163.11179	5.5
165.12704	1.7
167.08588	1.6
171.07968	1.8
171.11682	2.0
173.09637	1.3
173.13197	2.3
175.11163	8.7
181.12195	1.5
183.11821	1.4
185.09656	1.3
187.11160	2.1
189.11163	6.3
189.12689	1.7
193.12157	16.2
211.13216	1.6
215.14307	2.4
219.13806	4.6
223.13251	2.1
227.12659	1.6
231.13802	1.5
233.15335	5.3
255.13786	1.5
267.15842	39.6
273.14777	10.4
293.17624	1.5
339.23108	2.2
349.21539	5.2
367.22522	16.8
385.23657	26.2
403.24463	10.3
404.77979	1.3
441.26309	8.3
459.27322	100.0
477.28406	83.3
491.29852	7.4
509.30981	7.3
601.27209	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Vitexin 6''-O-glucoside
Peak:m/z	Relative Intensity
53.03922	0.5
54.81015	0.3
55.01841	0.9
57.03426	3.7
61.02917	3.3
65.03917	0.7
66.00870	0.4
67.05478	0.6
69.03397	0.7
72.12475	0.4
72.51427	0.4
73.02881	1.9
79.01856	0.4
79.05453	0.4
81.03382	1.8
83.01351	0.4
85.02512	0.4
85.02886	7.3
91.05436	0.6
93.03358	2.0
93.07034	0.4
95.04931	0.4
97.02828	1.0
103.03892	2.6
105.03345	0.9
107.04911	1.0
109.02860	3.3
111.04406	1.7
119.04917	9.6
121.02836	39.2
121.03770	1.2
123.04372	0.8
129.86620	0.4
131.04939	1.0
133.06479	0.8
135.04417	0.9
139.03854	0.5
145.02821	5.4
147.04353	1.9
149.02316	0.6
155.04906	0.5
159.04390	2.0
161.02312	1.8
161.05963	0.6
163.03847	1.8
165.01814	0.7
167.03369	0.5
171.04376	0.9
173.02240	1.8
173.05960	0.8
175.03844	1.9
176.00963	1.1
177.01819	3.2
177.05362	1.0
179.03329	3.8
181.04877	1.7
187.03854	2.6
189.01772	10.5
189.05313	1.8
190.02605	0.7
191.03300	7.4
194.02008	0.9
195.02827	9.4
197.04436	0.9
197.06052	0.7
199.03802	0.8
201.01808	0.8
201.05406	3.2
202.02660	0.5
203.03346	12.9
205.04895	2.4
207.02832	12.4
209.04413	2.0
211.03922	0.8
215.03354	2.2
217.04927	6.2
219.02852	9.1
219.06358	0.7
221.04301	5.1
225.03769	0.9
225.05663	0.5
227.03371	2.2
227.78723	0.5
229.04932	5.8
231.02808	1.7
233.04445	4.2
235.05859	0.6
239.03423	1.7
239.06963	2.1
241.04967	0.6
243.02808	2.1
243.06548	0.6
245.04349	2.7
247.05925	0.8
251.07021	0.7
253.04803	0.9
254.05748	1.0
255.02817	4.1
255.06427	0.5
257.04324	3.7
261.03790	0.8
267.06485	3.3
268.07239	5.2
269.04404	0.6
269.07764	0.5
271.05750	0.6
273.03931	2.4
279.06418	7.8
279.09015	0.7
280.07211	3.0
281.04810	0.8
281.07990	7.6
282.05176	0.9
283.05902	8.8
284.06784	2.8
285.03879	2.9
291.06424	1.9
292.07184	0.7
293.07916	4.4
294.05161	26.4
294.08563	1.8
295.05942	97.3
296.06668	9.5
297.04285	0.9
297.07507	11.6
298.08170	0.6
303.04810	0.6
304.07172	0.6
305.08017	3.3
306.08658	0.9
307.05945	55.7
308.06732	19.0
308.10321	0.6
309.04150	0.9
309.07492	16.0
313.07034	6.6
317.08066	2.2
318.08704	0.5
319.05887	9.1
319.09653	1.8
320.06586	4.9
321.07495	29.2
322.04642	1.1
322.08243	14.2
323.05447	3.9
323.09079	4.7
325.06985	100.0
329.08066	1.1
331.09824	0.6
333.07553	8.6
334.08066	0.7
335.05371	2.0
335.09006	16.5
336.06125	2.4
336.09863	1.9
337.06973	59.5
337.10303	2.1
339.08517	2.1
345.07397	3.6
346.08249	1.9
347.05408	0.6
347.09055	12.0
348.06073	0.9
349.06970	30.3
350.07901	1.1
351.04892	1.5
351.08563	22.3
353.06390	0.6
355.07959	14.6
357.07483	2.0
359.09180	0.6
361.06918	16.5
361.10703	1.9
363.08444	7.3
365.06070	0.9
365.10092	10.4
367.08127	5.6
373.06967	6.3
374.07626	2.3
375.04514	0.8
375.08569	11.4
377.06390	0.7
379.07996	45.6
385.06738	3.5
387.08542	2.9
389.10159	2.9
391.02945	1.1
391.07977	26.4
392.08453	0.6
393.09531	2.6
397.09131	1.0
401.10019	2.7
403.08026	18.2
409.09073	29.9
413.10504	0.6
415.08203	2.8
417.09583	2.8
421.09055	14.5
427.10187	25.0
429.09445	0.9
431.11032	1.0
433.09238	2.0
439.10095	20.0
445.09567	4.4
457.11203	65.9
458.11377	0.9
463.10153	3.5
475.12219	15.1
481.11191	15.2
487.10040	2.0
493.11148	1.8
499.12173	15.1
505.11331	4.4
511.12292	16.8
523.12238	15.5
529.13348	7.8
541.13287	19.8
559.14331	18.4
577.15540	10.5
595.16357	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	593.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
57.03425	1.1
64.94834	0.8
67.05495	4.0
69.03403	2.0
69.07056	1.8
71.05003	0.9
74.11747	0.8
78.29547	0.9
79.05479	2.4
81.03400	4.1
81.07037	6.3
82.75382	0.8
83.04933	1.6
85.02913	2.0
91.05453	2.1
92.66087	0.9
93.07008	3.7
95.04943	1.2
95.08601	3.4
96.08067	1.9
105.07033	1.6
107.08556	2.2
108.08910	1.2
109.02845	1.2
110.06024	1.1
120.41425	0.8
121.06422	1.0
121.10093	1.6
124.07546	15.2
127.03917	1.2
133.10193	1.2
137.05980	2.0
138.09123	5.8
145.02769	1.1
146.01555	1.0
149.13210	1.7
153.01843	1.1
166.08656	1.5
177.05550	1.6
228.82526	1.1
261.08566	1.4
269.17441	10.0
287.10254	5.0
290.16281	1.6
302.12784	1.2
303.13541	1.1
304.14301	1.8
305.15222	1.9
306.15820	1.4
315.13342	6.3
318.12357	2.3
318.15988	4.3
319.16647	1.4
320.17496	6.0
322.11560	1.3
322.15463	3.8
332.13660	2.3
333.14459	1.5
334.11884	2.0
334.15485	1.4
334.19150	3.8
336.16925	2.1
346.15222	6.8
347.16214	8.4
348.13248	12.4
348.16898	1.3
349.14017	4.1
350.14713	4.8
352.20206	2.1
361.14078	1.8
362.14801	14.6
362.18619	23.0
363.15234	7.5
364.16193	7.1
365.17456	7.8
376.12711	5.8
377.13388	5.4
378.13885	1.4
378.18106	10.8
379.18597	3.7
380.19617	25.1
381.19638	1.5
382.20325	1.0
390.14252	6.1
390.18747	10.0
391.15082	42.7
392.15381	6.8
392.19843	2.3
393.15860	4.0
394.17032	1.3
406.17529	100.0
407.17853	13.8
408.18250	16.4
418.17621	1.7
436.18549	5.5
437.19095	1.6
438.20044	7.7
456.21014	5.4
527.25812	5.0
545.27393	50.7
557.27679	1.6
563.28601	2.1
574.26947	2.0
575.28436	65.0
592.28259	1.9
593.29333	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81490	3.9
55.05498	9.3
57.07056	15.6
63.74466	3.9
67.05489	21.0
69.07056	15.4
78.63032	3.5
79.05473	16.7
81.03388	7.9
81.07023	31.2
83.08613	6.6
85.10179	37.5
91.05470	15.6
93.07011	17.9
95.04967	8.5
95.08600	20.3
97.10130	5.0
105.07010	8.3
107.04940	8.4
107.08589	6.8
109.10167	5.0
113.09633	35.0
119.08574	4.6
140.09436	4.2
147.11678	5.3
149.09538	6.9
150.36407	3.9
161.89845	4.7
163.11194	4.8
165.12683	51.8
218.67900	4.1
266.04285	4.3
277.21573	38.2
295.22610	100.0
333.47415	4.7
346.24017	4.5
466.68539	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	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.05498	0.2
59.37511	0.2
67.05505	0.3
70.55322	0.2
70.64510	0.2
75.95235	0.2
77.66763	0.2
81.07038	0.3
82.98335	0.2
91.05446	0.3
91.12954	0.2
92.09277	0.7
93.07074	0.2
96.08885	0.3
101.65886	0.2
171.12181	0.2
207.09308	0.2
209.10709	0.4
210.54156	0.3
229.59845	0.3
251.62793	0.2
258.53806	0.2
388.16788	0.4
389.17654	1.1
391.18817	0.2
401.17856	0.3
402.18558	0.4
403.19131	3.1
404.20178	1.1
405.20697	1.9
415.15082	0.4
416.20084	1.2
417.21136	4.2
418.21674	1.3
419.22305	4.2
430.17355	0.8
430.22293	0.4
431.18115	10.4
432.19424	2.0
433.24155	7.5
434.24756	1.8
445.19867	11.2
446.20691	4.7
447.21548	6.2
459.21365	4.5
460.22528	11.2
461.23215	10.9
462.24057	0.3
473.23532	1.9
474.24258	1.0
476.25949	0.5
477.22165	0.8
487.25095	1.2
489.26483	0.4
491.24188	1.1
492.25598	1.7
505.21927	6.5
518.23352	0.4
519.23889	1.1
533.25403	31.3
534.25983	0.4
550.25745	0.3
564.23810	0.5
565.27740	1.1
593.27521	100.0
594.27448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
58.71291	0.5
59.48457	0.5
64.03551	0.7
67.05489	1.7
69.07050	1.1
79.05479	1.2
81.07042	1.6
93.07030	0.8
95.04980	0.8
95.08599	1.0
119.08607	0.9
127.62192	0.7
133.74956	0.8
138.44450	0.8
142.97456	0.7
180.78839	0.7
254.10040	0.9
386.65216	0.8
403.19189	4.1
404.20004	0.8
405.20590	1.1
416.20068	1.1
417.16077	1.1
417.20779	4.6
419.22214	5.8
430.17480	1.0
431.18289	10.5
432.18875	1.1
433.23923	9.1
434.24722	1.5
445.19791	11.8
446.20807	5.1
447.21884	5.2
459.21750	3.3
460.22501	16.0
461.23187	13.6
473.23190	3.5
474.24747	0.9
476.25928	0.9
487.25589	1.1
489.25720	0.8
492.24976	1.4
505.21524	5.0
533.25397	54.6
556.79211	0.8
565.28601	1.0
593.27490	100.0
594.27802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.5
55.01884	3.2
55.05508	8.9
56.96560	1.2
57.03432	15.1
57.07084	1.1
61.02916	15.7
65.03950	0.9
67.05141	1.6
67.05495	36.0
67.08103	0.9
69.03413	19.5
69.07057	11.5
71.04984	5.6
73.02905	7.4
74.75748	1.1
79.05471	24.5
79.05911	1.8
81.03395	16.5
81.07035	48.4
83.04948	8.3
83.08597	8.4
85.02895	19.7
85.06515	2.1
86.09661	1.0
87.65790	1.1
91.03914	8.1
91.05460	14.8
93.06417	1.4
93.07024	37.6
95.04945	5.3
95.08582	14.4
97.02863	13.6
97.06506	8.2
99.04436	5.4
99.08088	2.0
101.02374	1.4
103.03921	1.6
105.07010	9.0
107.04929	1.7
107.08574	23.1
109.02869	6.8
109.06493	1.7
109.10162	2.4
111.04439	3.9
111.08081	5.5
114.45643	1.2
117.07022	5.4
119.08547	3.6
121.06509	2.3
121.10140	13.5
122.05994	1.4
123.04400	0.9
123.11686	2.0
127.03914	7.1
129.05441	1.3
131.08533	8.7
133.10124	6.5
135.08081	1.3
135.11699	7.3
137.05954	5.8
138.09164	1.4
140.07162	1.1
145.04912	2.2
147.11639	1.8
148.07562	1.5
149.13235	24.8
153.01825	1.1
155.08391	1.1
159.11661	14.2
161.13289	1.2
177.12700	9.9
179.14215	1.2
186.37773	1.2
195.13795	9.7
213.14908	1.5
243.11252	1.1
255.11243	5.1
256.11911	1.1
268.06357	1.1
269.17429	100.0
285.10147	4.7
287.10239	1.7
315.13348	22.9
339.17877	1.5
341.06052	2.4
377.19415	1.2
380.19641	2.4
395.20810	1.5
406.17383	1.5
408.19055	1.2
413.21750	10.7
424.14600	1.3
426.20139	6.9
521.16461	1.4
533.17474	1.4
575.27966	2.5
593.27942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68903	0.2
51.00793	0.2
55.01875	2.4
58.59141	0.2
59.92298	0.2
69.03411	0.4
69.07061	2.2
70.06574	0.9
72.08116	0.3
73.02900	0.2
79.05466	0.2
81.03351	0.3
81.07031	0.3
85.02906	0.3
86.09684	1.2
91.05436	0.5
93.07011	0.3
94.06528	1.7
95.04917	0.2
96.04470	0.3
97.02876	0.2
97.06491	0.5
103.05444	0.3
108.04443	0.9
109.02847	0.3
120.08089	1.5
122.05980	1.7
122.57544	0.2
124.07560	0.5
130.06396	0.3
131.04897	0.4
134.05927	0.3
136.07578	1.7
137.05948	1.4
138.09077	1.0
140.07076	3.2
145.05060	0.3
146.05988	0.6
147.04326	0.3
148.07567	4.1
149.05986	0.5
152.07027	0.9
160.07530	0.3
163.07510	0.3
164.07034	1.5
168.06537	3.9
174.05490	1.0
174.09007	0.3
176.07086	0.3
185.10692	0.9
187.08626	1.2
187.12386	0.3
194.08075	0.4
198.09134	1.0
198.12894	0.3
199.08644	3.6
199.12393	0.5
200.09413	1.2
201.10213	5.6
202.11029	1.1
203.11713	1.8
210.09135	0.4
212.09308	0.6
213.10129	2.0
214.10989	2.4
215.08144	1.6
215.11763	4.8
225.10172	4.1
226.08569	1.2
227.08119	1.4
227.11745	8.3
227.13898	0.4
228.08911	0.3
228.12531	1.2
229.09636	3.0
229.13310	1.2
230.10449	0.3
231.11244	0.3
235.10703	0.5
241.09636	1.5
241.13353	1.3
242.10468	1.7
243.11247	2.7
245.12827	0.3
252.10132	0.6
254.11913	0.3
255.11224	19.2
256.11826	1.1
257.12833	0.4
259.10666	1.3
269.12796	4.6
274.13083	2.3
275.13992	0.4
285.12305	0.4
287.13843	1.0
297.12262	5.8
298.10385	0.4
299.13831	1.1
302.12567	2.9
303.13358	1.5
315.13333	100.0
316.13852	3.2
363.43607	0.3
376.18311	0.3
378.18317	1.7
396.19171	3.8
398.20718	0.5
406.17554	1.8
424.18604	7.5
529.24390	0.4
547.25519	6.0
591.28790	1.8
595.17999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80645	0.8
55.01856	2.5
55.05502	0.9
57.03445	0.9
65.03904	1.4
65.84988	0.9
67.83434	1.0
68.69476	0.9
69.03422	1.9
70.06574	5.8
72.08147	1.1
73.51918	0.9
74.95430	0.9
79.05481	4.8
81.07048	1.0
83.04977	2.6
84.29062	1.0
85.02879	4.4
86.09704	1.9
91.05461	18.3
93.03389	1.1
93.07018	2.2
95.04945	5.7
97.02877	2.5
97.06496	1.1
101.08837	1.0
103.05457	8.3
105.07006	11.2
107.04952	14.9
107.08598	1.8
109.02863	1.6
109.06509	2.0
111.04424	2.6
115.05451	2.5
117.07008	1.7
119.04929	16.4
119.08601	2.1
121.02834	1.1
121.06500	10.1
123.09038	1.0
124.05173	1.3
125.05991	1.7
127.03905	2.1
128.06137	1.7
129.06973	6.7
130.04152	1.4
131.04900	16.1
131.08534	1.8
133.02840	6.3
133.06497	10.7
135.04424	1.8
135.08058	4.9
136.07530	1.3
137.05963	70.1
138.06302	1.9
145.04901	2.0
145.06485	5.3
146.03514	1.1
146.07292	4.2
147.04407	19.1
147.08073	1.3
148.05144	1.9
149.05943	8.4
151.03896	1.7
151.07515	14.4
153.01836	7.2
153.05449	4.4
154.02191	1.7
157.06450	2.4
159.08058	1.3
161.05959	100.0
161.09581	22.7
162.06726	4.6
163.07506	15.9
165.06960	1.2
165.09132	1.7
171.02901	5.1
174.06747	4.3
175.07547	16.1
177.05411	1.2
179.07021	1.5
179.08519	1.7
181.08510	1.7
185.05957	1.7
187.07471	1.5
189.09071	48.3
191.06987	1.7
205.06577	1.5
207.10138	45.2
208.24834	1.0
211.07547	1.6
214.12325	1.1
219.08142	1.4
219.10185	2.1
225.09061	2.4
235.07462	1.1
237.09032	2.0
238.96091	1.0
239.06920	1.1
249.09053	1.9
251.06975	1.5
251.10631	1.7
252.07750	1.2
253.08539	1.6
265.08536	4.1
267.10092	1.8
269.11557	1.6
273.07791	1.7
273.11108	1.8
274.08057	2.0
279.10187	2.4
283.09735	2.2
285.11182	1.9
295.09332	1.6
297.11249	6.3
299.12820	1.6
299.43484	1.3
307.09589	1.5
309.11264	4.3
310.11914	2.1
311.12735	5.7
313.14301	1.4
323.12872	2.0
327.12241	2.2
329.13882	9.1
330.23947	1.1
337.14215	6.1
339.12292	1.2
340.13025	1.4
341.13910	5.6
355.15353	12.3
367.15466	2.1
371.14795	1.5
425.19077	1.6
479.21002	1.3
485.38910	1.2
592.28766	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	591.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45214	0.5
54.81428	0.6
55.01870	1.0
60.57038	0.4
67.05494	1.4
67.64771	0.6
69.03433	0.8
69.07043	0.8
72.21352	0.5
77.45928	0.6
79.05481	0.8
81.03385	0.7
81.07033	0.9
85.02888	1.2
91.05471	1.1
92.08716	1.3
93.07037	2.4
94.06544	12.5
95.04952	1.3
97.02857	0.9
97.06517	3.3
105.07033	1.0
118.06562	0.7
120.04514	0.6
120.08121	2.9
122.06018	17.4
122.09688	0.9
124.07596	2.6
137.05966	3.8
138.05518	4.2
138.09123	30.0
139.07610	1.2
140.07086	0.8
146.05998	0.9
147.04419	1.2
148.07600	1.3
151.03973	0.6
153.01857	3.1
161.05995	0.9
164.07034	0.8
166.05006	2.8
168.06554	0.9
171.02895	3.1
174.05496	0.9
184.55261	0.6
191.08279	0.8
196.11331	0.7
197.10776	1.3
198.09146	1.0
198.11487	1.3
199.08630	1.2
199.12335	2.5
200.06952	0.6
201.10173	0.8
211.08655	2.7
211.12309	2.4
212.09386	4.3
213.10193	7.4
214.08621	25.5
214.10779	0.9
215.11760	1.2
224.10883	2.2
225.10121	11.8
226.08804	1.1
226.11011	3.6
227.08138	2.8
227.11734	12.0
228.10202	0.9
229.09654	0.7
239.08112	1.2
239.11734	11.3
240.08725	1.1
241.09724	9.2
241.13470	4.0
242.08107	6.1
242.10239	0.9
243.11105	0.9
245.12662	0.7
250.08585	1.1
251.11629	0.7
252.08693	2.0
253.09706	5.6
254.08121	1.2
254.10310	4.3
255.11250	36.8
256.09521	1.3
259.14322	5.3
260.09189	7.5
267.11221	11.3
268.12045	1.1
269.12839	3.5
270.11194	3.7
271.10788	2.9
273.07532	2.4
285.12332	4.4
287.13831	12.1
288.12216	0.8
289.15289	0.7
295.10730	12.5
296.09067	1.1
297.12311	1.2
298.10825	4.9
299.10281	0.8
313.11777	100.0
314.12656	41.3
314.15683	0.8
315.13324	19.2
316.11710	34.7
331.12833	11.9
333.14337	7.0
380.19394	0.7
382.21161	2.5
391.16104	0.6
406.17902	0.7
408.19113	1.4
438.20468	1.2
454.19736	2.6
573.27008	23.4
574.26227	1.0
591.28156	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05462	0.4
69.03400	0.5
69.07062	0.7
70.05128	0.4
76.97209	0.4
79.30040	0.4
81.93333	0.4
93.21887	0.5
94.06542	2.4
117.77629	0.4
122.05994	3.6
123.06832	0.6
124.07553	3.7
127.28139	0.5
137.05972	0.6
138.09105	6.0
149.23164	0.4
152.57509	0.5
175.20140	0.4
175.86507	0.4
214.08598	5.9
225.10382	0.5
241.13306	0.8
242.08075	0.7
255.11288	0.9
259.14462	2.1
260.09256	2.3
263.10446	0.8
277.12317	0.5
278.12811	0.6
285.12338	5.6
298.10828	1.0
305.15195	0.8
306.15863	0.6
310.11853	4.1
313.11642	3.7
315.13480	0.8
316.11743	7.1
318.12497	1.6
318.15900	0.8
319.16675	5.8
320.17490	2.3
322.11786	4.3
332.13760	1.0
333.14450	3.7
334.19086	4.2
336.13412	3.1
346.15353	3.8
347.16193	4.8
348.13480	1.9
350.14874	1.0
352.20453	0.9
362.11307	5.9
362.18555	8.9
363.16534	0.7
364.16492	0.9
365.17392	0.8
376.12906	2.7
377.13458	0.7
378.18030	22.0
379.18433	1.9
380.19574	15.9
391.15155	2.2
392.15799	0.6
406.17523	83.9
407.17795	5.5
408.18851	6.3
419.14832	0.8
422.20752	2.1
426.19995	5.9
448.42029	0.5
452.18066	66.1
453.18423	3.9
454.18433	3.4
545.27649	1.6
573.27026	1.1
590.26654	1.7
591.28009	100.0
592.28198	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
60.43833	0.8
67.05491	1.2
69.07038	1.4
79.05477	1.0
81.06993	1.0
93.05724	0.9
94.06540	30.7
96.04482	0.9
96.08154	0.9
104.98993	1.0
105.07012	1.3
108.04476	8.2
110.06110	1.6
110.09674	1.9
117.30741	0.9
120.08066	1.5
122.06016	34.3
124.07545	1.5
132.08127	1.0
135.08055	1.5
136.07596	2.2
136.11215	1.1
138.05481	1.0
138.09123	68.2
140.07066	1.7
140.72849	1.0
146.05994	1.5
146.09599	1.1
148.07558	6.1
150.05556	1.6
157.08949	1.5
158.09694	4.4
160.07524	1.1
163.08829	1.1
164.07013	1.6
166.08588	10.2
168.06557	11.5
172.07549	1.3
174.05490	1.0
176.07045	1.5
178.08662	7.4
184.07504	1.9
186.09148	5.9
186.12787	3.8
188.10767	4.3
198.09242	1.0
199.08678	5.0
200.06952	1.0
200.10793	2.4
203.15582	1.3
210.09138	1.6
213.10268	2.1
214.08636	3.9
214.12437	7.9
215.11844	1.9
217.09650	1.3
217.13287	1.1
220.31378	0.9
220.47557	0.9
224.10724	1.6
225.10275	5.4
227.08095	2.1
227.11560	6.9
228.10155	6.1
229.09706	3.9
231.11330	4.0
231.14970	6.1
241.09688	3.4
241.13416	3.5
242.11839	5.3
243.11310	7.9
244.12025	7.0
245.09335	1.6
245.12843	5.6
252.10269	1.7
253.09662	1.3
255.11186	18.6
256.09625	3.2
257.12811	3.8
259.10641	0.9
259.11478	1.5
259.14380	33.2
261.12207	1.3
264.13693	1.3
265.11792	3.7
267.11407	1.4
269.12869	9.8
270.11325	2.0
271.10889	1.4
273.12250	4.6
287.13855	5.1
288.12210	1.6
289.11768	10.3
291.13104	3.1
297.12302	8.9
298.10559	1.4
305.14774	6.5
313.11786	18.2
314.12625	4.4
315.09631	2.3
315.13333	67.5
316.11588	3.4
317.11453	6.5
331.12912	1.7
332.13654	1.6
333.14392	100.0
334.15207	1.6
339.98785	1.0
399.15378	1.4
406.17569	1.8
436.18637	5.6
450.19998	2.1
452.21722	5.3
470.22800	22.9
477.39261	1.2
573.27039	17.9
591.28064	77.0
592.28461	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	591.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
67.05486	2.2
69.00569	0.9
69.07043	2.0
91.05511	1.3
92.09298	1.8
94.06549	26.2
95.04946	1.5
95.07366	1.4
96.08102	1.5
97.02866	1.0
97.06516	1.0
107.08596	1.0
108.04493	5.3
108.08124	1.8
110.09688	4.7
120.08083	4.4
122.06011	32.0
123.06831	1.5
124.07543	2.1
135.08063	1.6
136.07552	2.1
136.11212	1.9
138.05484	1.2
138.09120	71.4
140.07112	4.9
146.06067	1.5
148.07565	5.3
150.05498	1.7
158.09618	1.8
164.07042	1.9
166.08615	14.4
168.06548	14.9
171.09195	1.2
176.07086	1.4
178.08563	7.0
182.08066	1.1
182.09673	1.2
184.11345	1.5
186.09097	3.7
186.12831	2.0
187.09973	1.5
188.10638	3.2
196.11226	1.4
198.09225	1.5
199.08711	4.8
199.12445	2.2
200.07126	1.6
200.10788	2.4
201.10240	3.6
203.08173	1.3
210.09132	1.5
211.12328	1.2
212.09297	2.3
213.10257	5.9
214.08717	1.4
214.12294	3.9
215.11835	2.2
217.09723	3.8
217.13359	1.5
225.10243	8.5
226.08778	1.7
226.10739	1.5
227.08290	3.9
227.11803	9.5
228.10225	5.2
229.09798	2.0
231.11278	1.9
231.14915	5.8
239.11768	8.8
240.12550	1.6
241.09563	6.7
241.13364	4.8
242.08122	1.7
242.11772	5.2
243.11223	6.8
244.12024	2.3
245.09138	2.3
245.12831	8.0
252.10190	1.8
253.09627	5.8
254.10472	1.4
255.11227	24.0
256.09744	1.2
257.12729	4.9
259.14380	30.7
260.12985	1.6
265.11862	1.3
267.11227	7.7
269.12900	6.3
270.11243	1.9
271.10791	3.9
271.14136	1.1
273.12399	6.0
285.12387	6.6
286.13269	2.1
287.13953	4.9
288.12433	1.3
289.11740	7.7
291.13480	3.5
295.10776	5.1
297.12299	9.3
298.10693	2.1
305.15015	8.3
313.11783	52.4
314.12686	15.4
315.13345	65.4
316.11639	1.5
317.11392	6.0
331.12762	14.7
332.13596	7.0
333.14398	99.6
348.13391	1.6
362.15036	2.3
376.12946	2.2
378.18417	1.6
380.19510	2.1
382.21295	3.7
385.92578	1.1
390.14334	1.6
391.15311	10.8
406.17548	30.4
406.22470	1.7
436.18396	9.9
450.20514	1.6
452.21869	5.9
454.19687	1.3
470.22818	16.8
543.26007	4.0
545.27576	1.0
573.27032	30.1
591.28021	100.0
592.28271	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18178	0.5
51.36150	0.5
63.35415	0.5
67.05488	3.0
68.55656	0.5
71.04966	0.8
79.05471	0.8
81.07048	0.7
90.21666	0.6
93.07020	0.7
94.06543	25.2
95.04946	0.8
95.24186	0.6
96.08152	0.6
103.05483	0.7
115.41721	0.5
115.43132	0.5
120.04503	0.7
122.05125	1.0
122.06011	29.7
122.09609	0.7
123.06766	1.0
124.07590	2.9
136.07532	1.1
137.05981	1.0
138.05524	2.4
138.09122	63.5
140.07016	0.8
164.06973	0.6
166.04973	0.7
176.07022	0.9
177.05385	0.8
182.09500	0.6
186.09135	1.4
188.07123	0.8
191.08142	2.3
192.37880	0.5
196.07504	1.0
197.10561	0.6
198.09129	1.2
200.07054	6.0
201.26653	0.5
202.08644	0.6
210.09203	1.1
211.08577	0.9
211.12260	1.0
213.10258	2.3
214.08607	78.1
216.10368	0.6
220.06078	0.6
222.09026	0.7
224.10771	5.0
225.10207	5.0
226.08565	2.5
226.10641	1.0
227.08138	1.2
227.11739	3.8
228.10175	4.2
230.08128	1.0
239.11777	8.1
240.10130	3.7
241.09637	4.9
242.08063	18.2
242.10118	0.6
242.11876	1.3
243.11220	2.6
245.06624	0.6
250.08646	1.1
252.10094	3.4
253.09679	3.3
253.55563	0.7
254.08081	7.8
254.10306	1.6
255.11223	13.7
256.09659	9.7
257.37244	0.6
259.14328	2.9
260.09140	23.8
267.11191	8.2
268.09683	3.6
269.12875	2.2
270.11224	9.0
271.11050	0.7
280.09756	1.1
285.12277	1.1
287.13922	1.1
288.12286	3.1
295.10696	8.3
296.08963	4.7
297.12296	2.4
298.10654	16.5
299.10629	0.7
313.11783	60.9
314.09930	6.5
314.13110	14.1
315.13406	10.1
316.11746	100.0
317.12109	0.7
321.12289	2.7
331.12662	4.8
333.14386	20.6
350.15070	1.2
365.17258	1.1
380.19568	10.7
382.20453	0.8
398.20096	0.9
406.17487	1.0
410.20697	0.7
423.15421	2.6
427.20157	1.1
428.21283	3.3
573.18713	0.8
573.27057	16.8
574.25891	4.1
591.19873	0.8
591.28082	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	590.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74919	1.6
53.00297	3.8
53.99232	1.7
55.05507	24.9
57.07074	23.2
59.21914	1.6
67.05486	29.2
69.07048	20.9
70.35165	2.0
71.08598	2.5
76.44540	1.9
77.80727	2.2
79.05479	29.6
81.03402	20.3
81.07039	33.4
83.04969	11.3
83.08612	9.4
84.89748	2.2
85.10176	39.5
91.05460	24.9
93.07034	29.6
95.04952	21.2
95.08596	24.4
97.06556	2.8
97.10126	4.3
100.49730	2.1
105.07037	18.5
107.04957	17.1
107.08596	14.2
109.06503	3.2
109.10146	9.0
113.09645	33.3
117.07014	2.5
119.08539	13.7
121.10126	11.3
123.08039	3.5
126.23801	2.1
129.06966	2.9
131.08540	4.5
133.10112	8.7
135.11703	4.3
138.24893	2.1
145.10152	3.2
147.07845	2.2
147.11674	12.2
149.09584	16.0
149.13200	2.3
151.11198	4.2
161.13304	2.7
163.11195	8.1
165.12714	51.3
166.47572	2.5
175.11172	3.8
179.14281	2.2
200.67540	2.1
255.21696	2.2
259.20477	2.8
273.89792	2.4
277.21576	48.7
293.21042	3.3
295.22614	100.0
348.18530	2.1
368.66467	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71574	1.2
53.03925	1.9
53.75177	1.2
55.01860	6.4
55.05503	29.7
56.83771	1.2
57.03421	1.6
67.05495	39.8
69.03411	1.8
69.07047	12.1
71.55420	1.3
74.43150	1.3
79.05474	35.4
81.03390	8.0
81.07037	37.5
83.04955	7.1
83.08612	28.9
91.05466	42.3
93.07034	37.9
95.04951	43.7
95.08578	27.4
95.43649	1.4
97.06493	6.6
97.10137	6.2
100.29108	1.4
104.36718	1.3
105.06392	1.5
105.07009	43.5
105.80046	1.4
107.04926	9.7
107.08569	24.7
109.06496	6.6
109.10171	12.8
111.08037	2.9
117.06999	14.9
119.08559	39.5
121.06457	7.3
121.10104	19.6
123.08060	3.3
123.11723	2.8
125.09592	6.9
129.06972	2.8
130.07742	1.5
131.08534	16.6
133.06522	1.8
133.10095	29.8
135.08047	5.5
135.11678	9.5
137.09599	6.9
143.08582	3.0
145.10112	27.4
147.08006	1.9
147.11661	14.6
149.08537	2.3
149.09612	32.4
149.13155	1.7
151.11153	3.4
155.08559	2.9
159.11678	12.2
161.09602	2.0
161.13261	3.5
163.11143	34.8
165.12787	2.1
169.10051	2.7
171.11621	3.1
173.13188	2.3
177.12724	2.1
183.11656	2.8
189.11272	2.4
197.13203	6.4
216.72989	1.6
223.13196	14.2
229.19377	2.2
239.17892	10.3
245.83109	1.6
247.20453	1.8
257.19058	15.8
275.20013	100.0
293.21075	40.7
384.94604	1.6
408.74567	1.4
434.63275	1.6
582.26813	1.8
589.43915	5.6
590.44531	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	589.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01849	3.1
55.05499	24.2
55.95658	3.0
57.07056	25.5
67.05495	58.4
69.07046	25.5
71.08627	27.8
79.05473	60.7
81.03397	22.7
81.07034	62.7
83.04971	8.6
83.08598	18.8
85.10177	45.0
87.67504	3.5
91.05453	47.1
93.07030	64.2
95.04967	29.5
95.08600	49.8
97.06505	5.5
97.10142	4.4
99.08085	20.7
105.07039	29.4
107.04932	18.8
107.08578	36.6
109.10162	14.5
111.08073	4.8
113.09646	33.6
116.49265	4.2
119.08534	21.1
121.10117	28.3
131.08548	7.2
133.10075	15.4
135.11716	26.3
141.09189	4.1
145.10027	4.3
147.11646	5.6
149.09581	8.6
151.11185	5.3
153.54350	3.6
161.13213	5.7
163.11169	6.7
165.12711	52.3
179.14322	56.2
259.20441	5.0
277.21567	99.7
279.61243	3.7
294.26981	3.7
295.22653	100.0
523.46570	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	590.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28254	0.6
63.79269	0.7
69.03410	1.3
78.92886	1.0
79.05455	1.3
85.02880	1.9
91.05447	10.0
94.04174	1.4
95.04938	0.8
103.05439	10.3
105.07017	4.6
106.34364	0.7
107.04868	0.8
109.06510	1.1
109.88393	0.9
111.04428	1.7
115.05387	1.1
119.04917	10.2
121.06489	3.6
122.03617	4.6
125.05940	3.2
131.04904	31.3
131.60226	1.0
133.02838	4.9
133.06496	4.3
137.05945	100.0
145.06473	1.0
147.04361	18.4
149.05963	7.0
150.06787	1.2
151.07520	1.4
153.05461	1.9
155.21886	0.7
159.04463	1.1
160.05180	3.3
161.05927	30.4
162.06747	4.3
163.07494	14.5
165.05434	4.5
172.05176	2.0
174.06728	1.1
175.07487	14.6
176.04526	3.4
177.05415	3.8
179.06985	4.9
179.08405	1.1
182.84859	0.8
188.04562	0.9
191.07001	6.3
193.06387	0.8
203.06985	25.1
203.08696	1.2
207.08018	1.3
219.08069	0.9
221.06006	1.6
221.08000	15.8
233.07993	3.0
234.06552	0.9
237.02705	0.9
237.09048	1.3
239.10542	0.9
253.08540	1.9
255.10059	0.9
265.08618	1.7
267.10156	3.5
277.08554	1.6
279.10062	1.2
285.11273	1.2
294.08646	1.1
295.09589	1.1
297.11191	3.5
309.11124	4.9
315.12439	0.9
325.10519	1.7
327.12152	4.8
343.11502	1.8
345.13193	13.6
357.13232	5.2
371.12753	1.0
404.87878	0.9
468.39819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40575	0.3
53.96333	0.3
54.81545	0.4
55.05501	1.4
57.03426	0.8
66.34838	0.3
67.05487	2.3
69.07056	1.8
71.04974	0.3
79.05465	2.0
81.03386	1.4
81.07048	3.5
83.04955	0.4
84.86823	0.3
85.02905	0.7
91.05449	2.1
93.07018	2.5
95.04935	0.7
95.08582	2.5
97.88815	0.4
105.07022	0.8
107.08572	0.5
109.06477	0.6
110.88459	0.4
119.08559	1.7
121.10133	0.5
129.07010	0.4
131.08537	1.4
135.08080	0.4
136.73799	0.4
147.11729	0.4
149.09554	0.5
157.17938	0.3
165.50177	0.3
193.12253	0.6
251.12529	1.9
305.17181	10.3
307.15149	0.8
361.19775	4.4
428.69513	0.4
484.99561	0.4
510.56891	0.4
589.33380	100.0
590.33752	1.9
616.93890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81413	1.0
55.01867	1.1
55.05514	1.5
67.05501	2.4
79.05482	2.6
81.03394	1.9
81.07069	4.3
83.08595	1.3
91.05473	6.1
93.07001	1.4
95.04961	1.4
95.08596	1.7
97.76827	1.2
108.45257	1.2
119.08585	2.6
130.57370	1.0
137.09561	1.6
147.08058	1.2
185.48227	1.3
211.43938	1.2
218.85461	1.2
273.63632	1.3
333.20340	12.6
389.22937	1.8
548.39258	1.1
589.33380	100.0
590.34009	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	589.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11778	0.3
67.05468	0.9
69.03385	0.4
69.07034	0.8
70.06548	0.5
70.93307	0.3
76.95968	0.4
79.05457	0.5
81.07021	0.7
91.05420	0.7
92.09261	0.4
92.63358	0.5
93.06989	0.4
94.06511	0.7
100.85011	0.4
105.07017	0.4
105.88919	0.4
106.06514	0.4
107.08593	0.7
119.08571	0.4
122.05973	0.9
133.29141	0.3
135.38936	0.4
137.05939	1.6
138.09087	1.7
150.09097	0.4
159.72267	0.5
163.08614	0.4
167.06981	8.1
168.07358	1.7
174.09071	0.4
178.08580	0.5
178.54532	0.4
204.10167	0.9
210.12994	0.4
225.10208	0.6
227.11659	0.7
229.09724	0.6
229.13281	0.9
241.09537	0.5
243.11151	0.4
251.10466	0.5
255.11288	0.9
257.12799	3.9
261.12198	0.5
263.10495	2.4
264.11200	0.7
265.11783	4.3
269.09000	1.6
277.12018	1.6
277.17114	0.4
278.12738	0.6
283.10556	0.5
285.12350	3.1
289.11774	0.6
292.14279	0.7
299.34607	0.4
304.14343	1.8
305.15201	0.7
310.11743	5.8
313.11771	0.5
315.13214	0.7
318.12607	0.6
318.16071	1.8
319.16754	6.4
320.17328	0.6
322.11841	3.8
323.12619	0.7
329.11224	1.5
331.12762	2.2
332.13806	0.8
333.14349	5.6
334.19003	2.6
336.13443	4.1
346.15308	3.2
347.16174	4.5
348.13388	1.9
349.14191	0.8
350.15149	0.5
362.11200	8.3
362.14993	1.4
362.18600	1.7
363.15567	0.7
364.16510	0.8
376.12781	3.4
377.13583	1.6
378.18045	26.7
380.19580	2.6
390.14093	0.8
391.15363	2.1
406.17520	100.0
407.17920	2.4
408.19168	0.5
422.20612	0.5
426.20090	2.0
452.18063	77.1
453.18619	1.8
468.21024	3.4
493.54172	0.5
522.26935	0.5
571.25110	0.7
589.26416	56.2
590.26581	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08180	0.4
74.34126	0.3
82.99776	0.3
91.25478	0.3
92.08717	0.9
92.89977	0.3
109.02785	0.5
127.03911	0.7
134.09650	0.5
137.05896	0.4
226.11029	0.5
229.23123	0.4
257.12869	0.4
263.10449	1.8
264.10977	0.5
266.12778	0.5
269.09201	0.5
277.12033	1.4
278.12897	1.5
284.11267	0.4
285.12207	3.8
290.12701	0.6
292.14102	0.4
304.14368	1.3
305.15067	0.6
310.11774	6.3
318.12296	1.6
318.16019	2.7
319.16760	8.6
320.17575	0.5
322.11896	6.4
323.12601	0.6
332.13828	1.9
334.19040	3.4
336.13248	4.1
346.15469	3.3
347.16208	5.0
348.13309	2.2
349.14157	1.4
350.14978	0.5
362.11218	8.4
362.14429	0.7
362.18243	3.0
363.15759	0.8
364.16776	0.8
376.12787	5.3
377.13577	1.5
378.18066	25.2
379.18539	0.5
380.19577	1.9
390.14368	0.8
391.15350	3.1
406.17529	100.0
407.17847	2.7
419.14685	0.8
426.20044	1.7
452.18073	97.1
453.18292	2.2
570.19360	0.4
589.26355	55.3
590.26794	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	588.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76937	1.3
53.12843	1.4
56.05023	3.1
56.25368	1.5
60.04518	64.4
64.33435	2.2
65.60225	1.5
71.06127	1.5
72.08137	1.9
73.07652	2.5
75.54224	1.5
76.03971	2.2
76.50776	1.5
76.94969	1.4
78.66940	1.9
79.05485	19.7
88.03972	10.7
95.05061	1.9
102.05523	17.9
103.05460	3.7
107.04947	28.2
119.08160	47.8
121.06465	4.0
124.05170	2.3
128.03194	1.6
131.04921	37.3
133.02837	100.0
135.04395	32.8
137.05946	29.6
146.05969	2.6
147.22032	1.8
149.05925	13.6
150.03125	4.0
150.06732	7.7
163.03867	14.0
163.07492	11.7
165.05443	42.9
167.07040	17.7
177.05453	2.9
190.08551	2.7
195.06540	19.8
196.07445	2.3
245.80466	1.9
265.71735	1.9
313.13858	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57955	0.2
57.03426	0.3
60.07860	0.4
60.08150	9.0
63.00464	0.2
67.05474	0.4
71.07356	3.8
81.03371	0.3
81.07038	0.5
86.09687	46.6
91.05450	0.5
93.07005	0.4
98.98434	3.1
104.10721	4.2
105.06957	0.5
109.10072	0.3
119.08534	0.3
124.99972	34.3
135.07994	0.3
143.01057	0.3
148.16252	0.2
160.57295	0.2
179.14330	0.3
184.07300	100.0
367.46591	0.3
537.05377	0.3
570.35168	0.4
588.36591	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	588.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01854	7.2
55.05508	37.1
57.26783	1.7
65.03912	2.6
67.05492	42.6
69.07057	14.7
71.04949	1.9
77.84255	1.5
79.05479	36.0
81.03398	10.1
81.07040	48.2
83.04962	9.4
83.08604	18.1
91.05459	39.8
93.07022	41.5
95.04943	45.1
95.08597	32.7
97.06519	10.8
97.10155	3.9
99.08067	2.0
105.07013	49.8
107.04926	11.2
107.08571	26.9
109.06499	3.2
109.10166	13.3
111.08109	3.3
115.05434	2.0
117.07000	13.4
119.08566	34.5
121.06509	7.1
121.10139	16.7
123.08071	7.2
123.11671	2.0
125.09608	8.4
129.06982	6.9
130.07719	1.9
131.08517	19.6
133.06436	1.9
133.10117	32.6
135.08032	3.0
135.11697	8.5
137.09612	3.8
143.08586	2.9
145.06465	2.4
145.10106	29.8
147.08069	2.4
147.11658	15.6
149.09602	34.3
155.08598	3.8
157.10121	4.3
159.11668	13.9
161.09583	2.1
161.13185	2.8
163.11163	31.3
165.12703	3.0
169.10197	2.2
171.11667	3.8
173.09627	3.5
173.13249	4.2
175.11131	2.2
183.11708	4.4
197.13161	2.0
223.13307	14.1
229.19473	3.6
239.17908	9.4
247.20554	1.9
257.18915	19.9
275.20029	100.0
277.21603	2.2
293.21085	35.0
315.63284	1.9
503.33188	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98721	3.4
52.77912	2.9
53.27671	3.5
55.93515	89.7
71.92986	46.6
72.93766	81.5
73.94548	5.1
81.03400	5.4
89.94015	29.4
90.94798	84.5
97.02859	5.4
105.93493	9.4
107.95045	26.1
108.95872	27.9
123.94543	8.9
125.96075	22.6
127.03844	3.8
128.96291	6.2
130.97888	5.4
131.95010	44.0
132.95789	22.2
133.96573	4.7
136.95317	5.3
142.94260	4.3
144.95850	43.6
145.96590	8.5
146.97310	9.2
147.98058	3.8
148.98900	4.7
149.96094	99.3
150.96844	27.9
151.97627	15.4
153.97020	4.4
156.95787	14.7
157.96538	18.1
158.97356	15.1
159.94458	6.0
160.06853	3.7
160.95294	6.9
161.96077	83.3
162.96814	38.8
163.97597	25.5
165.99174	23.4
167.97105	16.4
168.95721	4.3
169.96573	19.0
171.98105	24.3
173.96049	54.0
174.96852	23.1
175.97595	16.9
176.02361	4.2
176.98409	6.4
177.95508	6.5
179.97157	17.6
184.99057	6.4
185.96048	27.5
186.96899	26.8
187.97566	33.9
189.99205	16.3
191.97113	75.7
192.97920	4.6
197.95956	4.7
197.99689	6.4
198.96927	5.4
199.97604	25.8
201.95296	4.2
203.97046	14.5
205.94936	5.6
206.15164	4.2
215.97116	48.3
216.97894	7.6
217.98581	5.0
219.92926	4.1
219.96667	14.2
223.93942	4.3
227.97154	30.7
229.98611	8.0
233.98203	32.5
234.99020	8.3
241.95045	71.5
241.98666	15.1
245.94423	4.8
253.98610	5.9
257.98013	8.9
263.95419	6.3
275.99197	100.0
276.02322	6.0
276.99835	5.8
305.96613	47.6
364.00793	51.6
382.01791	95.7
396.03427	5.8
407.99408	4.5
511.54492	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	587.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	2.8
53.00583	1.7
53.03931	5.0
55.01865	16.0
55.05505	55.4
57.03445	2.1
57.07066	4.4
59.14360	1.9
67.05490	77.0
69.03414	2.8
69.07056	34.6
71.04976	4.0
71.08625	31.7
76.55508	2.3
79.05474	77.5
79.23546	2.1
80.22523	1.9
81.03406	21.7
81.07041	100.0
83.04951	15.6
83.08611	43.1
85.06541	3.1
91.05461	61.5
93.07021	98.9
95.04947	95.8
95.08590	55.0
97.06496	13.5
97.10164	9.1
99.08065	21.5
105.04591	2.1
105.07012	52.2
107.04934	30.5
107.07877	2.7
107.08581	55.7
109.06525	16.1
109.10154	21.1
111.08018	3.6
114.36398	2.2
117.06992	19.2
119.08552	41.9
121.06498	4.4
121.10106	38.3
123.08030	9.4
123.11668	2.8
125.09629	4.1
129.06973	5.4
131.08540	21.9
133.10104	30.9
135.08032	3.2
135.11661	34.3
137.09593	4.9
139.11246	2.7
143.08534	4.8
145.06422	4.0
145.10094	24.1
147.08012	4.2
147.11667	14.3
149.09607	33.5
149.13203	9.0
151.11192	15.5
155.08548	4.5
157.10037	3.5
159.11656	13.6
161.13228	12.0
163.11153	41.0
163.14803	2.7
165.12817	2.8
169.10104	3.5
173.09517	4.1
173.13167	2.5
177.12712	5.3
179.14282	90.3
189.11148	3.9
189.12730	4.3
191.10626	2.6
195.04021	2.0
205.12251	2.9
216.04027	2.7
223.13281	32.9
247.20532	2.4
257.18866	9.4
275.20013	63.9
277.21576	82.4
293.21054	49.0
295.22604	9.2
302.70468	2.3
526.03064	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.3
55.05505	66.4
59.05008	5.9
62.85695	5.5
67.05492	73.4
69.07044	34.5
72.59528	6.5
78.57693	6.7
78.86623	6.1
79.05474	84.0
79.56203	6.4
81.03387	10.0
81.07043	100.0
83.08599	32.2
91.05448	82.5
93.07026	56.5
95.04947	47.5
95.08602	47.0
97.10139	28.2
105.07015	60.5
107.04957	8.4
107.08595	47.3
109.06464	13.7
109.10104	25.8
117.06989	14.9
119.08556	43.9
121.10120	27.9
125.09664	11.4
129.06967	15.7
131.08522	11.1
133.10138	30.9
135.11668	7.6
139.73450	6.3
143.08525	11.1
145.10109	41.3
147.11664	14.6
157.10091	11.6
161.13129	9.7
163.11171	14.5
171.11678	9.5
291.19476	15.4
293.20999	40.2
430.65643	8.6
569.41699	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	587.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.8
53.03938	2.3
55.01854	6.9
55.05503	26.9
57.03416	2.5
57.07067	37.4
65.03935	1.5
67.05147	2.3
67.05494	50.1
69.03415	2.4
69.07059	25.7
71.08630	2.3
79.05476	31.4
81.03418	15.2
81.07040	55.8
83.04967	20.1
83.08611	16.2
85.06496	2.2
85.10172	64.0
91.04899	1.6
91.05455	40.9
93.07027	36.4
95.04951	19.7
95.08588	41.4
97.06495	7.3
97.10135	8.1
99.08052	2.7
105.07014	32.6
107.04942	32.6
107.08578	23.9
109.06516	11.0
109.10163	11.3
109.61967	1.5
111.08085	7.0
113.09626	57.1
113.30266	1.6
117.07011	6.5
119.08555	21.0
121.06486	8.6
121.10114	12.4
123.08054	13.6
123.11652	2.1
125.09606	2.8
129.06963	9.0
131.08568	17.6
133.06433	1.9
133.10091	20.4
135.08009	2.2
135.11708	7.5
136.36905	1.6
145.10089	12.3
147.11655	17.9
149.09616	23.0
149.13219	3.5
151.11169	7.9
155.10721	1.6
157.10115	2.6
159.11694	7.5
161.13271	8.0
163.11171	13.4
165.12726	85.4
171.11670	7.8
173.13234	3.8
175.11157	10.2
176.57269	1.6
179.14243	2.2
201.12759	1.8
207.13879	1.8
241.19656	2.3
247.84724	1.6
257.18909	7.6
259.20483	9.7
275.20016	42.6
277.21585	90.8
293.21091	23.2
295.22650	100.0
309.67084	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2857
Annotation	(3Z)-Phycocyanobilin
Peak:m/z	Relative Intensity
55.01864	2.9
59.59740	0.2
67.05453	0.2
69.07071	2.0
70.06580	0.4
73.02885	0.3
88.95560	0.2
91.05428	0.5
94.06537	0.4
96.04476	0.3
97.06485	0.3
103.05459	0.3
108.04449	0.9
112.07587	0.6
114.37180	0.2
118.06518	0.2
120.08080	1.6
122.06005	0.5
132.08087	0.4
137.05914	2.6
138.06248	0.4
140.07051	4.0
148.07553	4.7
150.05499	0.3
160.07558	0.4
160.11253	0.4
168.06528	3.9
174.05536	0.4
174.07840	0.9
174.09166	0.4
175.08551	0.3
182.09610	0.4
183.10463	0.4
196.11168	0.3
198.09233	0.8
198.12836	0.6
199.08611	5.0
199.12321	1.0
201.10223	1.2
202.08708	0.3
203.09425	0.4
211.08524	0.5
212.09325	0.5
213.10248	2.0
214.10945	1.5
215.11861	2.7
224.10840	0.9
225.10155	5.1
226.08832	1.8
226.10759	0.8
227.08200	2.7
227.11700	7.9
228.12546	1.1
229.09697	0.6
229.13316	0.4
239.11792	0.5
241.09706	1.6
241.13295	2.2
242.10455	1.1
243.11209	2.2
243.14874	0.9
251.11653	0.5
252.10228	1.4
255.11221	18.9
257.12872	0.6
269.12808	6.2
271.14420	1.5
273.12308	0.4
281.12842	1.0
287.13837	5.0
297.12332	7.0
299.13849	5.4
299.59595	0.3
315.13333	100.0
316.14084	6.6
559.29022	0.3
569.27246	0.5
587.28357	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	587.428
Annotation	Ingenol-20-hexadecanoate
Peak:m/z	Relative Intensity
60.71598	1.5
67.57724	1.4
72.27403	1.7
81.75694	1.5
113.21943	1.6
139.99634	1.8
157.63499	1.7
175.67072	1.7
201.57530	1.7
206.83781	2.0
256.50638	2.1
587.33160	3.2
587.42700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	37.2
56.76872	4.0
57.03427	8.9
62.35158	4.6
64.20234	4.4
67.05486	80.0
69.07065	39.9
79.05470	61.7
81.07037	92.9
83.04953	4.5
83.08612	9.7
91.05462	46.1
93.07030	76.8
95.08582	80.6
105.07020	49.3
107.08581	39.8
109.10151	27.6
117.07004	21.6
119.08556	36.6
121.10132	28.2
123.11665	7.6
131.08560	39.8
133.10101	31.6
135.11671	19.6
143.08492	18.4
145.10107	23.6
147.11676	22.3
148.09869	4.7
156.23401	5.4
157.10089	10.8
159.11665	30.2
161.13135	7.8
171.11685	11.9
173.13307	8.5
177.16217	4.9
185.13165	5.2
187.14816	8.6
261.22046	6.8
307.22412	6.4
335.25690	8.2
514.01147	5.4
567.44025	8.4
585.45087	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	586.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55870	10.1
60.81174	10.3
67.05485	24.3
69.07039	10.5
76.56109	12.4
81.07009	13.4
89.06010	12.4
95.08558	21.4
107.08606	13.1
107.43185	13.6
133.10178	13.1
136.47780	11.2
145.65578	12.4
164.85034	12.5
182.55833	11.3
212.17285	11.9
251.19916	43.2
269.21066	51.5
317.78607	12.2
487.41486	13.9
505.42438	19.3
523.43335	50.5
586.41058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85183	0.8
53.00310	1.0
53.03938	6.7
55.01879	7.5
55.05507	39.2
55.21219	0.7
57.03417	2.1
57.07066	3.8
61.22171	0.7
65.03905	1.6
67.05143	1.3
67.05496	43.4
69.03415	3.5
69.07057	24.6
71.04980	3.7
79.05473	37.1
81.03410	14.0
81.07040	51.0
83.04964	10.0
83.08601	30.1
85.06528	1.8
87.20454	0.9
88.83661	0.9
89.06033	3.6
91.05464	42.9
93.07024	41.0
95.01302	1.0
95.04948	46.3
95.08586	30.9
97.06509	8.9
97.10152	5.8
99.08125	0.9
101.78039	0.9
103.05449	1.1
105.07014	41.8
107.04938	19.0
107.08585	27.2
109.06504	14.6
109.10143	14.2
111.08074	5.6
115.05469	0.9
116.06187	1.0
117.06997	17.2
119.08559	34.8
121.06473	11.3
121.10120	18.7
123.08039	8.0
123.11682	3.5
125.09617	1.9
128.06250	1.4
129.06926	6.5
130.07748	1.5
131.08545	24.0
133.06471	1.4
133.08569	0.9
133.10106	26.1
135.08044	7.0
135.11664	11.8
137.09596	4.9
141.06967	3.6
142.07780	1.6
143.08534	6.4
145.06444	4.6
145.10112	26.9
147.08022	3.9
147.11674	15.4
149.09590	27.3
149.13243	3.6
151.11169	6.2
155.08543	5.3
157.10100	6.3
159.07997	1.3
159.11659	12.8
161.09596	4.7
161.13205	5.0
163.11140	30.9
165.12744	4.4
169.10114	4.2
171.11673	4.0
173.09581	6.4
173.13251	7.6
177.12735	3.6
183.11668	4.4
185.13243	2.0
187.11148	3.7
187.14763	1.3
189.11226	1.4
189.12775	1.6
191.10619	1.0
191.14275	1.8
191.90623	0.9
195.11996	1.1
197.13196	5.2
201.12726	1.9
201.16385	1.2
205.12192	1.4
207.13846	1.2
215.14342	1.5
215.17957	0.9
219.13857	1.5
223.13292	10.4
229.19371	2.1
239.17903	7.8
247.20587	1.8
257.18933	11.9
275.20010	100.0
293.21060	67.1
476.84586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.5
55.05271	2.3
55.05510	42.2
57.07060	9.2
57.46793	2.1
60.75316	1.9
67.05498	21.0
69.07051	9.3
71.08600	4.9
76.55733	1.7
79.05484	17.9
81.03420	4.2
81.07049	22.2
83.04968	12.3
83.08606	22.3
85.02906	3.5
87.04443	2.3
89.06004	4.0
89.58253	1.9
91.05461	13.5
92.08717	4.1
93.07034	16.3
95.04950	75.0
95.08575	10.9
97.06479	2.4
97.10155	24.1
105.06997	4.0
107.04944	10.6
107.08597	7.6
109.06461	2.6
109.10142	4.9
111.04395	3.7
111.08052	7.8
117.07043	2.4
118.43239	2.6
119.08602	9.2
121.10141	4.6
123.08057	4.3
125.09613	18.8
131.08519	8.5
133.08554	2.4
135.08047	3.4
135.11626	2.3
141.91090	2.1
145.10118	8.9
147.11662	3.7
149.09599	10.2
153.09102	22.8
161.13243	2.5
163.11166	18.6
171.78180	1.9
189.11128	15.4
223.13196	24.3
225.28766	1.9
275.19937	11.6
293.17722	4.1
293.21036	100.0
300.28928	2.9
311.29361	4.6
497.28943	2.2
584.55627	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81144	1.2
56.10363	1.2
56.96553	51.3
56.96834	2.3
67.05482	3.1
69.07021	1.5
71.95229	2.4
72.96024	1.6
79.05468	1.3
80.27753	1.2
81.03378	1.7
81.07030	3.0
84.95998	6.6
91.05450	5.1
92.62881	1.2
93.07008	2.9
95.08591	1.9
98.97556	100.0
105.07021	1.4
109.10117	1.3
110.97572	5.1
112.99105	28.9
116.98597	75.4
119.08591	2.1
121.10142	1.6
125.01327	1.3
128.98564	6.6
131.00142	73.6
131.08553	1.8
134.99631	36.4
137.02731	1.3
137.05992	1.2
137.56665	1.2
140.00101	1.3
140.98570	2.5
143.00168	13.1
146.99638	10.4
149.01199	79.1
158.39220	1.4
158.99606	38.8
159.11514	1.5
161.01193	22.2
162.99107	2.0
167.02243	16.3
170.99585	1.8
173.01166	8.2
175.02771	1.8
177.00674	70.8
179.02249	3.0
185.01199	2.3
189.00668	8.1
191.02220	9.5
195.01782	9.2
199.02733	8.4
200.02312	1.9
203.02275	9.3
214.03693	1.5
215.02144	4.4
217.03775	8.7
217.07448	1.7
219.01653	9.5
224.94481	1.2
227.02248	5.7
233.03326	1.7
237.02740	7.4
275.04309	11.2
289.14655	85.3
293.05386	42.2
307.15729	79.7
308.16138	2.2
311.06378	10.9
325.16724	5.3
330.17233	2.9
345.17197	1.4
349.16861	16.8
363.18369	2.5
370.12491	1.3
375.18387	1.6
402.81439	1.3
412.21454	1.3
429.63959	1.4
469.20953	5.2
525.23621	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05518	1.0
83.01094	4.4
84.01859	2.2
94.44063	1.2
95.01086	6.1
96.01850	5.2
97.02630	1.6
101.41318	1.1
111.54987	1.1
137.05933	1.2
139.03609	1.4
152.08081	1.2
156.03926	2.1
157.04678	1.4
166.02258	1.5
183.02754	1.5
184.03467	6.1
185.04156	10.0
201.03716	12.3
203.05276	9.4
214.32816	1.2
223.13016	1.9
258.06952	1.4
259.07813	8.8
331.09900	14.2
345.11545	1.5
359.13086	2.2
389.10114	1.8
401.17722	1.5
431.18942	13.6
457.20251	12.8
499.21448	40.4
543.30420	1.3
567.27539	5.8
585.27960	100.0
586.27325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	45.5
57.07064	25.4
61.48735	6.1
61.67892	5.0
67.05492	32.6
69.07058	61.8
69.57287	5.5
71.85165	6.7
79.05472	25.2
81.07044	56.2
83.08611	42.6
86.00648	7.0
91.05444	55.7
92.08707	8.6
93.07025	43.4
95.04976	7.7
95.08588	44.0
97.06500	12.0
97.10133	14.1
103.05444	8.0
104.62882	5.9
105.07027	14.6
107.04939	8.5
107.08575	35.3
109.10147	12.0
119.04934	28.9
119.08549	10.5
121.06451	6.6
121.10133	10.7
129.06973	15.4
131.08583	10.2
133.10152	11.4
135.11649	9.3
136.05244	7.0
137.05960	100.0
144.80621	7.9
151.07516	74.9
157.06505	9.5
157.10043	7.1
161.05920	8.9
163.07515	25.7
165.06949	7.1
167.08604	9.2
172.68851	6.2
189.09053	34.3
193.06337	9.6
193.09993	14.3
221.06032	11.2
221.09610	27.5
225.09239	7.5
227.10712	23.9
237.22203	7.2
249.09097	10.9
253.12193	30.7
255.09979	8.2
267.10190	9.8
285.10983	26.0
287.12744	25.8
313.14310	39.9
331.15427	36.3
480.99954	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	584.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.6
57.07064	10.7
67.05477	9.0
69.07051	23.7
70.06589	5.7
71.08615	6.2
72.01571	4.2
79.05479	23.0
81.07029	44.1
83.08624	4.8
85.35976	4.4
87.90079	5.7
89.06013	32.8
91.05455	35.8
93.07027	55.6
95.04929	22.1
95.08581	26.5
105.07003	70.9
106.07751	5.1
107.08576	38.0
109.06482	6.0
109.10172	8.4
117.06997	23.0
119.08546	61.5
121.06435	7.1
121.10102	52.8
123.08073	22.0
123.11606	6.0
128.06224	9.2
129.06995	8.8
130.07794	5.4
131.08582	46.0
133.08629	6.7
133.10104	22.9
135.08087	7.4
135.11684	7.7
137.09589	10.7
142.07805	8.2
143.08525	46.9
144.09271	8.8
145.10110	70.8
147.07994	19.4
147.11795	7.2
149.09557	7.5
149.13269	6.0
151.07516	7.0
155.08549	5.0
156.09323	7.6
157.10107	41.3
158.10904	9.5
159.11642	35.9
161.09549	9.3
161.13272	5.4
163.11194	6.4
165.09116	24.2
169.10095	6.5
169.84088	4.9
170.10770	7.0
171.11647	18.6
173.09653	4.8
173.13210	5.2
175.11182	9.0
180.28627	4.9
181.10159	18.5
183.11639	11.5
185.13132	5.4
193.10135	5.9
197.13225	6.1
203.14287	9.8
205.19577	10.5
221.15314	40.2
251.53351	4.8
283.26083	7.1
287.19992	4.7
299.19772	6.1
300.28741	17.4
311.29376	27.6
314.63513	4.9
325.21329	6.4
352.23822	28.6
365.24664	7.5
366.25516	8.7
371.22620	8.9
504.35925	100.0
523.52356	5.2
584.40448	6.3
584.55963	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	38.8
57.07057	34.4
65.61137	4.7
67.05491	36.2
69.07053	33.8
70.06590	9.3
71.08614	9.6
71.39019	4.9
79.05481	38.1
81.07042	54.9
83.08614	12.4
89.05996	39.8
91.05469	39.3
93.07026	73.9
95.08585	55.2
97.06532	6.4
105.07018	100.0
107.07973	5.2
107.08556	50.9
107.25400	5.3
109.06506	8.2
109.10153	27.2
117.07021	21.6
118.33868	5.5
119.08568	96.4
121.10107	44.6
123.08045	11.5
123.11742	7.4
129.06964	8.8
131.08527	54.9
133.10124	51.1
135.08023	9.3
135.11688	21.9
142.07780	22.1
143.08530	51.7
145.10085	67.9
147.08038	23.2
147.11707	11.9
151.07516	6.5
155.08546	22.9
156.09358	25.4
157.10114	61.7
159.11711	50.8
161.09641	7.8
165.09074	23.7
169.10156	31.4
170.10916	7.2
171.11600	37.9
173.13242	27.9
175.11157	13.0
177.11214	6.8
179.08624	9.1
181.10239	7.2
183.11681	36.2
185.13251	13.0
195.11693	9.5
196.12418	10.3
197.13243	10.9
199.14825	7.7
203.14371	8.8
205.19417	8.5
207.11745	6.5
209.13258	7.3
221.15381	32.7
223.14824	7.9
232.12601	5.9
241.60204	6.0
246.34059	6.2
311.29471	25.6
352.23904	31.6
365.24670	10.3
371.22586	10.6
404.30627	8.9
412.29269	9.9
435.19153	5.6
504.35861	98.8
584.56104	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13115	3.5
53.03920	4.5
55.01862	16.1
55.05505	79.0
57.03428	21.2
63.50225	3.3
67.05491	70.3
67.31409	3.5
69.03411	4.3
69.07063	36.2
71.72829	4.0
79.05476	83.7
81.03395	54.6
81.07033	65.9
83.04961	29.7
83.08607	100.0
85.02890	28.3
91.05460	87.3
93.07023	95.2
95.04949	59.6
95.08597	37.6
97.06523	5.6
99.04430	4.7
105.07020	56.2
107.04956	20.4
107.08589	74.3
109.06463	8.9
109.10180	15.1
111.08057	22.4
117.07026	40.2
119.08561	43.2
121.06465	6.1
121.10114	30.6
125.09624	9.6
129.06982	16.1
131.08524	36.7
133.10129	34.0
135.08043	27.9
135.11694	5.3
137.05992	5.8
137.09602	21.7
141.07014	6.1
143.08530	4.5
145.10121	22.1
147.08073	5.4
147.11700	7.2
149.09601	55.7
157.10109	8.6
159.11601	8.0
163.07452	6.0
163.11150	6.8
164.54382	4.2
165.12701	4.8
173.13272	4.2
175.11147	7.5
177.09044	8.4
193.12245	32.0
201.16397	21.8
209.26079	4.1
211.13206	38.7
219.17361	41.0
229.15805	5.7
247.16852	26.3
265.17871	8.3
267.15900	21.4
285.16898	39.6
294.69211	4.0
300.04929	4.0
321.20609	20.9
339.21622	36.4
398.50949	4.6
420.69293	4.7
458.33932	4.6
513.31580	7.7
531.32880	27.6
549.33746	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	584.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
55.01866	7.4
55.05503	32.9
57.03414	29.7
67.05490	70.1
68.40777	3.4
69.03410	4.9
69.07051	41.2
71.01303	3.3
71.04980	5.5
79.05477	84.6
81.03394	44.2
81.07031	68.6
83.04961	18.6
83.08592	16.6
85.02877	16.5
85.06517	4.0
91.05454	94.4
93.07014	78.6
95.04946	75.9
95.08605	31.4
97.06499	18.8
97.10114	5.0
101.25043	4.1
103.05389	4.0
105.07011	48.6
107.04941	30.6
107.08553	36.6
109.06498	7.2
109.10149	18.3
114.36806	3.6
117.06998	22.2
117.07787	3.5
119.04930	36.7
119.08548	45.3
121.06493	4.2
121.10117	32.6
123.04395	52.0
123.08035	6.4
129.06970	5.8
131.08536	34.1
133.06462	7.5
133.10089	26.8
135.04443	5.7
135.08002	14.9
135.11641	8.7
137.09572	6.5
139.03848	5.8
143.07011	6.1
143.08514	4.5
145.10097	15.2
147.04388	34.9
147.11617	14.6
149.09598	24.3
157.10164	4.5
159.11497	4.4
161.00278	3.9
163.11093	5.4
165.08949	3.9
175.03844	6.5
179.03320	36.8
185.05916	8.8
193.12175	15.2
199.09569	5.8
199.57730	4.1
207.06517	9.0
211.13245	7.9
213.05470	7.5
229.15906	19.1
239.12624	4.1
246.95853	4.0
248.72240	5.3
255.06421	100.0
257.13821	16.4
267.15884	14.1
273.07465	6.9
275.20068	9.2
285.16855	14.4
351.04886	3.7
398.97116	3.8
451.26657	15.5
475.77997	4.4
513.31683	7.5
531.32721	16.2
549.34149	6.6
566.23041	4.5
583.33691	4.3
584.34436	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.8
57.07053	20.8
67.05484	19.4
69.03414	9.0
69.07043	15.1
71.08594	3.8
74.00258	3.1
77.12798	3.2
79.05480	25.8
81.07050	37.0
83.08591	3.6
85.06506	4.4
89.06020	32.7
91.05472	42.0
92.09345	10.3
93.07021	66.4
95.04948	7.0
95.08598	39.1
102.09196	4.2
105.07014	85.4
107.08575	53.2
109.06490	8.8
109.10130	15.1
114.40154	4.2
117.06981	25.0
119.08552	100.0
120.99669	3.7
121.06520	4.6
121.10130	37.0
122.07265	3.4
123.08036	16.8
128.06253	3.6
129.06969	15.3
130.07698	5.5
131.08560	52.7
133.06451	4.4
133.08562	7.4
133.10126	49.2
135.08029	6.4
135.11639	8.4
137.09630	6.9
138.38069	3.8
141.06961	4.8
142.07782	23.4
143.08559	51.8
144.09341	8.8
145.10097	67.6
147.08022	16.6
147.11671	8.3
149.09630	6.5
151.07605	3.5
154.07703	4.4
155.08556	20.9
156.09329	20.3
157.10127	58.2
158.10864	8.4
159.11690	43.7
161.13266	7.5
163.11133	6.3
165.09065	34.4
166.07863	5.0
167.08556	7.1
168.09261	4.4
169.10126	23.5
170.10812	15.2
171.11665	26.7
172.12479	4.3
173.13225	21.2
175.11180	17.9
181.10066	19.6
181.12311	3.6
182.10828	7.9
183.08005	4.6
183.11670	23.4
185.13251	23.0
189.35472	3.8
193.10146	7.7
193.12083	4.2
195.11676	17.5
197.13211	23.8
198.13776	3.5
199.14699	6.0
201.12793	3.8
203.14255	7.9
207.11667	7.2
207.13733	6.7
209.13213	15.2
211.14748	4.3
221.13274	14.6
221.15329	40.4
225.16359	4.9
232.12300	5.0
237.16318	6.8
283.26205	4.8
299.20001	6.1
300.28888	7.3
311.29395	22.1
325.21698	5.2
352.23898	42.7
365.24646	8.2
371.22607	6.0
404.30099	3.8
412.29523	7.0
438.31107	8.8
450.59790	3.6
459.14462	3.6
491.35059	7.7
492.33627	5.7
504.35794	97.5
584.40790	16.5
584.56036	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62130	3.6
55.05505	73.3
56.19114	4.0
57.03420	4.5
57.07064	31.1
59.73918	4.0
67.05484	51.1
69.06703	7.6
69.07054	100.0
71.08608	9.3
74.46191	3.7
79.05475	28.3
81.07041	82.6
82.43980	3.5
83.04986	4.5
83.08599	65.2
85.10139	4.0
85.16848	3.7
86.84154	3.9
93.07034	37.9
95.08588	59.1
97.06512	26.2
97.10136	37.2
107.08595	21.3
109.10145	22.8
111.08067	5.5
111.11680	5.2
113.18219	4.7
117.12800	4.3
121.10126	36.4
123.11687	5.7
125.09624	6.5
135.11655	23.2
145.25835	4.1
149.13202	8.6
163.14857	6.5
183.08160	4.0
219.21146	8.0
237.22104	33.8
255.23212	7.6
290.26926	5.2
293.18112	4.3
311.25745	18.0
313.66852	4.6
349.81836	4.3
491.44391	18.0
563.24518	5.1
565.48126	21.6
583.41455	5.7
583.49170	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
53.36836	0.1
54.18326	0.1
55.01863	0.9
56.28862	0.1
57.03419	0.7
61.02906	0.9
66.04681	0.1
69.03416	2.0
73.02885	0.1
79.05470	0.8
81.03389	0.8
81.07029	0.7
85.02892	6.4
91.05466	2.4
93.07027	0.4
94.04160	1.7
95.04958	0.3
97.02888	2.2
98.82993	0.2
99.04442	0.3
103.05450	6.4
105.07011	4.0
107.04946	1.6
109.02883	0.4
109.06499	1.1
115.05447	0.2
117.06989	1.2
119.04927	0.7
120.05621	0.2
120.08076	0.4
121.02910	0.1
121.06479	2.4
122.03630	5.4
123.08044	0.4
127.03890	0.9
128.06201	0.8
129.06960	0.6
131.04913	10.8
131.08539	0.2
131.32191	0.2
133.06470	15.5
135.08026	6.3
136.05150	0.2
137.05959	100.0
138.06282	0.4
143.04889	0.7
143.08505	1.2
145.04967	0.7
145.06470	4.9
147.08002	1.1
149.05942	1.0
151.07532	5.0
155.06082	0.2
157.06464	1.5
159.08028	0.3
160.05222	0.3
161.05962	0.3
162.06689	0.3
163.07510	25.4
165.09108	0.4
171.08028	1.8
174.06763	1.3
175.07515	2.5
177.09076	1.0
182.18398	0.2
187.07492	0.8
187.65376	0.2
188.08299	1.0
189.09068	2.6
203.10629	3.1
205.06949	0.2
207.08156	0.2
214.03348	0.2
217.10062	0.3
220.08853	0.3
235.11198	1.4
245.09558	0.4
248.08356	0.3
263.10559	1.8
295.13235	9.0
312.13425	0.2
327.15848	18.4
328.16275	0.2
345.17004	2.3
368.21347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47347	0.7
52.75789	0.8
53.00290	1.0
53.03931	2.2
55.01870	8.0
55.05501	23.4
57.03429	17.4
58.12762	0.8
65.03927	1.4
67.05488	43.7
68.40239	0.8
69.03407	4.4
69.07051	23.8
71.04977	8.3
73.82992	1.1
79.05000	1.2
79.05470	52.2
81.03397	44.5
81.07035	100.0
83.04978	13.5
83.08590	21.2
85.02886	19.5
85.06528	1.1
91.05457	41.3
92.08687	1.6
93.07015	41.5
95.04950	22.6
95.08584	38.5
97.02859	5.3
97.06520	7.7
97.10132	2.2
99.08051	2.3
105.07011	28.6
107.04942	13.2
107.08566	14.8
109.06496	30.0
109.10114	12.2
111.08053	7.6
113.05951	1.1
117.07014	9.3
119.08546	30.8
121.06467	4.7
121.10105	18.7
123.08057	9.6
123.11678	1.9
129.06979	11.5
131.08528	20.4
133.06488	5.7
133.10104	12.4
135.04372	3.7
135.07996	11.0
135.11671	4.0
137.09592	13.2
139.11137	1.7
141.06938	1.1
142.07736	3.9
143.08517	0.9
145.06506	1.6
145.10069	9.4
147.08008	6.8
147.11653	9.8
149.09569	18.7
151.07533	1.5
151.11179	2.3
155.08528	1.2
157.10086	11.1
159.11736	2.0
161.09555	1.6
163.11145	6.2
165.09068	5.5
165.12794	1.4
169.10048	1.6
171.11717	0.9
175.11082	10.7
187.11159	1.0
193.12186	21.7
201.16302	1.1
201.75197	0.9
211.13257	24.4
219.17348	2.2
224.26045	1.0
229.15849	4.2
239.12767	1.3
247.16888	12.7
265.17996	7.0
267.15833	11.6
285.16876	34.7
286.52127	1.0
321.20502	16.1
339.21579	27.5
395.24487	1.2
513.31940	14.1
531.33044	24.1
549.26257	1.6
549.34143	34.5
555.59857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.9
53.03952	3.1
55.01850	9.6
55.05508	26.0
56.04911	2.5
57.03424	16.9
57.19588	2.3
66.08505	2.2
67.05492	59.9
69.03403	2.8
69.07054	27.1
71.04978	4.1
72.66704	2.3
76.55843	2.7
79.05483	43.7
79.05920	3.9
81.03397	52.4
81.07043	98.0
83.04943	6.0
83.08607	11.9
85.02892	11.7
91.05463	100.0
92.31061	2.5
93.07021	48.1
95.04964	15.6
95.08583	47.1
97.06520	5.9
105.07017	40.0
107.04962	5.9
107.08591	17.4
109.06489	21.3
109.10145	22.7
117.07017	4.9
119.08563	92.1
121.06493	12.8
121.10139	13.9
123.08047	4.7
126.38663	2.8
129.07033	4.6
131.08525	11.8
133.10120	11.1
135.08028	3.4
135.11751	3.0
137.09596	29.5
141.07004	3.3
145.10132	10.3
147.08051	5.1
147.11681	19.1
149.09610	6.3
157.10031	2.9
163.11200	4.3
165.09109	17.4
165.12718	2.7
173.13300	2.7
183.10103	6.2
239.12836	12.3
257.13782	40.3
275.19891	24.5
286.12772	2.7
293.21240	4.8
349.23615	15.3
367.24728	16.4
464.89105	2.8
513.31915	15.0
531.33063	21.2
549.34119	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.4
53.14716	6.3
55.05502	16.5
57.07059	12.6
60.02073	7.3
64.74696	6.7
67.05492	38.6
69.07037	20.6
79.05485	37.5
81.07034	40.1
91.05464	67.8
93.07018	61.3
95.04938	12.9
95.08577	20.9
97.06551	10.6
105.07016	100.0
106.23681	8.3
107.08569	48.7
109.10153	13.9
110.03332	7.9
110.84335	7.4
117.07003	18.0
119.08553	92.7
121.10117	50.1
129.06996	19.6
130.07756	15.1
131.08521	17.0
133.10127	49.2
142.07733	14.8
143.08492	63.5
145.10126	64.9
147.11617	11.0
155.08556	19.4
156.09253	11.8
157.10114	49.0
159.11650	35.8
161.22769	9.6
165.07005	13.7
167.08598	14.7
167.10699	10.5
169.10043	32.7
170.64076	8.2
171.11649	20.6
173.13193	19.1
179.08386	11.5
181.10017	33.3
183.11783	14.1
193.10094	10.3
195.11604	19.4
197.13220	19.9
199.14662	8.2
206.10709	10.9
207.11607	12.2
208.12341	9.3
209.13098	17.4
229.60747	8.6
233.13171	18.6
245.12910	9.5
246.13588	9.6
261.16281	11.8
283.20691	12.2
583.41675	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	583.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31432	0.2
55.05487	0.3
55.82267	0.2
56.96557	21.4
67.05459	0.6
67.56925	0.3
70.93591	0.3
71.01497	0.3
71.95199	0.7
72.96018	2.5
77.45501	0.4
79.05416	0.3
81.03352	0.5
81.06303	0.3
81.07006	0.8
84.95990	0.4
91.05415	0.6
92.98585	1.4
93.06997	0.4
105.06918	0.4
107.08486	0.3
119.08524	0.5
128.98506	0.4
136.05234	0.3
143.55016	0.3
197.08412	0.3
203.05815	0.4
217.07491	0.4
235.11090	0.4
263.16644	0.3
281.17581	0.4
293.17831	8.9
309.17200	0.6
311.18857	80.4
312.19244	0.5
327.18369	3.1
329.19916	100.0
330.20432	0.7
334.20505	1.6
345.19278	1.6
347.20975	14.2
352.21576	4.7
360.70096	0.4
370.22623	0.5
583.42358	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36530	2.7
53.03936	2.9
55.05497	13.9
57.03423	2.8
57.07055	12.7
57.22547	2.5
59.04982	4.9
65.03902	2.5
66.99582	3.1
67.05499	31.7
69.03407	16.2
69.07032	12.5
76.56831	2.6
79.05469	30.9
81.07037	27.7
83.04958	3.2
85.06535	3.9
91.05466	40.7
93.07021	60.6
95.04942	11.5
95.08579	32.9
105.07012	66.2
107.08575	31.0
109.06499	11.7
109.10131	23.4
111.08087	3.5
117.07014	14.5
119.08568	70.5
121.06466	4.7
121.10120	29.1
121.84818	3.1
123.08030	28.9
128.06189	5.4
129.06973	17.2
130.07755	4.8
131.08591	23.5
133.06442	3.9
133.10139	31.0
135.08034	17.6
135.11641	14.0
137.09589	29.0
142.07767	22.6
143.08545	27.2
144.09352	5.1
145.09116	3.7
145.10121	38.0
147.08034	46.2
147.11621	15.1
147.70654	3.0
149.09579	3.7
151.07515	15.6
155.08516	10.8
156.09296	4.5
157.10089	33.4
158.10892	3.8
159.11667	27.8
161.09637	5.3
161.13277	4.1
165.09068	68.3
168.09279	4.7
169.10089	11.2
170.10902	4.3
171.11656	15.0
172.71262	3.1
173.13225	7.3
175.11264	3.9
179.08533	3.3
181.10155	5.8
181.12210	4.7
182.10947	3.2
182.74962	2.8
183.11687	14.4
185.13228	6.2
187.14783	3.1
189.12662	4.2
193.10065	4.9
195.11682	5.5
197.13205	4.6
203.14294	28.6
207.11667	5.8
207.13817	5.0
209.13237	5.0
211.14774	4.5
221.13402	7.2
221.15309	100.0
223.14619	4.2
352.23917	3.6
386.02316	3.2
444.10693	3.6
473.33972	3.6
491.34982	4.5
503.34964	5.3
532.00122	3.3
565.40283	14.1
583.40936	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05501	11.6
57.07062	7.7
59.04999	2.5
63.57052	1.7
64.42649	1.6
65.29089	1.4
67.05503	19.4
69.03422	10.0
69.06706	1.4
69.07053	9.7
79.05480	18.7
81.07040	25.3
83.05005	1.6
83.08623	2.5
85.09841	1.6
91.05459	30.6
91.64117	1.6
93.07024	43.2
95.04939	7.5
95.08584	24.8
97.06516	1.6
105.06355	3.5
105.07012	52.7
107.08584	29.5
109.06484	10.0
109.10126	21.1
111.08057	3.3
115.05464	3.3
117.07008	16.3
119.08557	53.6
121.06472	8.1
121.10117	23.4
122.07307	2.0
123.08031	20.3
128.06197	3.8
129.06987	9.1
130.07785	3.7
131.08543	19.9
133.06529	2.0
133.10092	31.4
135.08018	17.6
135.11684	7.5
137.09593	30.6
139.82399	1.5
141.06995	2.6
142.07739	9.5
143.08516	19.7
144.09322	8.3
145.10109	34.9
147.08043	36.9
147.11668	9.6
149.09514	2.5
151.07559	12.5
155.08496	9.0
156.09354	12.5
157.10086	25.2
158.10802	2.7
159.08069	2.2
159.11642	14.4
161.09604	3.0
161.13249	9.4
163.11143	2.9
165.06981	2.9
165.09087	59.8
167.08528	2.9
168.09308	2.5
169.10103	7.7
170.10959	6.5
171.11674	8.6
173.13232	7.2
175.11243	2.7
175.14790	4.1
179.08551	3.2
180.09239	2.6
181.10104	3.3
182.10947	4.0
183.11690	9.2
185.13222	7.9
187.14795	4.1
189.12729	2.5
193.10139	3.8
194.10764	2.9
195.11710	9.7
197.13219	7.0
203.14301	18.3
206.10927	2.2
207.11707	3.1
207.13760	3.4
209.13226	4.2
211.14755	3.6
221.13333	5.3
221.15321	100.0
223.14749	1.8
235.14847	2.6
237.16365	1.8
293.43262	1.8
305.59271	1.8
437.29855	2.2
473.33817	7.2
491.34955	2.3
503.34811	7.5
565.40076	7.8
583.41223	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.0
53.03943	3.1
55.05507	27.1
57.07063	9.3
57.82574	2.0
61.83299	2.0
65.03920	4.3
66.50516	2.1
67.05495	33.6
69.03409	12.5
69.07062	20.2
70.45221	2.3
79.05470	26.0
81.03419	2.3
81.07043	30.0
83.04966	5.8
83.08616	4.5
85.06517	4.4
86.06433	2.3
91.05463	71.8
92.09315	3.2
93.07025	59.8
95.04963	17.1
95.08590	33.2
97.06492	3.8
103.05476	3.6
103.70302	2.3
105.07022	84.1
107.08577	50.8
109.06515	10.8
109.10137	23.2
115.05484	4.4
116.06310	2.4
117.07014	28.7
119.08567	100.0
121.06503	3.6
121.10133	42.7
123.08053	13.0
128.06242	19.8
129.06998	26.7
130.07774	10.4
131.08546	49.2
133.06514	2.8
133.10115	44.5
135.08061	13.8
135.11635	16.3
137.09651	10.0
141.06966	14.5
142.07751	36.1
143.08562	52.8
144.09370	12.7
145.10123	56.4
147.08015	18.9
147.11697	16.6
149.09689	8.2
151.07529	9.9
153.07033	5.2
154.07776	4.5
155.08522	17.8
156.09354	36.3
157.10106	63.1
158.10895	11.8
159.08061	2.9
159.11690	25.3
161.09669	3.7
161.13254	10.4
163.11093	3.6
165.06990	15.4
165.09125	15.1
166.07791	3.5
167.08505	17.9
167.10617	4.5
168.09268	16.2
169.10056	32.6
170.10910	13.6
171.11650	23.9
173.09665	2.8
173.13232	17.1
175.14830	10.1
179.08537	27.9
180.09392	12.0
181.10068	24.8
181.12340	5.2
182.10883	11.4
183.11656	29.7
184.12447	3.8
185.13269	15.7
189.12730	3.2
191.14354	5.1
192.09267	8.3
193.10129	22.6
194.03954	2.6
194.10863	19.1
195.11716	29.8
196.12477	5.4
197.13289	19.1
199.14848	15.0
201.16335	2.7
203.14276	5.4
205.10175	3.3
206.10910	12.4
207.11658	20.7
208.12497	12.8
209.13261	31.0
211.14793	11.2
217.10146	5.6
217.15840	3.1
218.10921	4.9
219.11751	9.5
220.12424	11.2
221.13222	20.2
221.15366	30.7
222.14053	3.6
223.14908	9.7
225.16470	4.2
231.11723	4.3
232.12357	5.4
233.13240	10.4
235.14784	16.4
236.15613	3.2
237.16309	4.4
245.13275	8.7
246.13998	3.9
247.14832	10.8
249.16373	11.7
250.16771	2.8
251.17834	2.6
257.13281	2.9
257.18918	5.0
259.14801	11.8
260.15475	4.6
261.16397	10.7
263.18033	3.3
265.19373	8.5
273.16388	2.7
275.17862	11.7
277.19568	3.3
283.20483	5.6
289.19614	3.6
349.25320	5.1
491.34735	2.5
565.39990	13.7
583.41547	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17489	3.3
54.80909	5.4
55.05510	31.0
67.05505	36.3
69.03416	5.1
69.07055	23.4
79.05476	40.2
81.07050	50.1
83.04984	5.4
91.05453	65.4
93.07032	59.5
95.04961	16.6
95.08612	28.6
97.06523	6.3
105.07023	100.0
107.08601	49.4
109.06464	14.4
109.10158	21.1
117.06985	26.1
119.08574	80.1
121.10119	61.6
123.08048	7.3
128.06171	10.9
129.07013	21.1
130.07800	5.1
131.07690	5.5
131.08542	48.5
133.10101	31.2
135.08087	7.2
135.11717	10.0
141.06993	7.5
142.07774	24.2
143.08559	52.8
144.09315	6.0
145.10097	47.4
147.07996	4.9
147.11668	22.2
149.09688	6.6
155.08551	22.0
156.09308	25.4
157.10114	56.3
158.05756	4.3
158.10918	7.0
159.08095	7.4
159.11678	19.6
161.09579	5.3
165.06985	5.6
167.08551	16.8
167.10643	19.2
168.09312	6.0
169.10104	32.9
170.10930	8.7
171.11678	23.7
173.13274	28.2
175.14819	6.4
179.08549	22.8
180.09319	8.2
181.10126	19.5
182.10892	7.1
183.11725	29.0
185.13245	8.0
192.09227	5.1
193.10130	8.4
194.10849	6.8
195.11684	23.4
196.12509	4.7
197.13310	19.5
199.14833	24.2
206.10782	5.4
207.11778	19.9
208.12569	5.2
209.13249	21.8
211.14877	16.4
219.11668	7.9
220.12326	5.2
221.13322	10.1
221.15309	16.1
223.14793	4.6
231.11702	7.4
233.13118	8.0
233.15279	8.5
235.14748	5.3
237.16391	7.7
245.13345	5.7
247.14751	6.8
249.16310	8.1
261.16385	5.5
275.17999	5.7
283.20462	8.9
300.52005	4.8
583.40955	25.9
600.64276	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
54.72528	2.0
55.05499	18.4
57.07052	12.0
67.05489	20.4
69.03409	9.6
69.07054	18.2
70.33737	1.8
70.65850	1.7
71.08617	2.1
79.05471	30.8
79.43776	1.7
81.03364	3.1
81.07034	30.4
83.04951	14.1
83.08602	4.9
85.06522	10.1
91.05459	51.0
93.07019	57.8
95.04943	15.2
95.08575	34.1
97.06525	4.4
103.05444	3.5
105.07012	100.0
107.08576	55.6
109.06518	14.0
109.10140	22.0
115.05424	4.1
117.07014	21.9
119.08553	81.9
121.06471	2.6
121.10122	51.7
122.10473	2.1
123.08038	14.6
123.11668	4.0
128.06232	15.9
129.06940	18.4
130.07777	10.7
131.08546	32.4
133.10098	38.1
135.08017	10.2
135.11667	12.6
137.09595	10.9
141.06967	11.1
142.07733	29.5
143.08548	50.1
144.09296	10.3
145.10107	55.5
147.08029	11.4
147.11618	15.7
149.09584	4.4
149.13251	3.2
151.07538	14.2
153.06967	3.3
154.07802	3.6
155.08543	19.9
156.09325	24.6
156.99045	2.3
157.10104	47.6
158.10869	4.8
159.07993	2.4
159.11664	28.4
161.09587	2.3
161.13239	3.9
163.11157	5.3
163.14722	2.4
165.06947	10.6
165.09103	11.8
166.07668	2.5
167.08531	12.9
167.10635	12.5
168.09311	10.3
169.10104	36.2
170.10858	13.6
171.11662	32.6
173.13159	18.3
175.14799	8.3
179.08525	17.6
180.09308	8.3
181.10097	24.0
181.12259	3.8
182.10922	11.7
183.11694	24.0
184.12430	3.9
184.15178	2.1
185.13177	15.1
187.14784	5.1
189.12639	3.5
191.08626	2.6
191.14160	4.6
192.09325	4.2
193.10106	21.8
194.10855	14.1
195.11687	24.1
196.12515	10.0
197.13251	21.0
199.14737	10.4
203.14296	4.6
205.10011	2.6
206.10893	8.6
207.11687	20.8
208.12456	4.2
209.13232	28.0
211.14867	9.5
217.15918	2.8
218.10889	5.2
219.11653	10.3
220.12425	10.9
221.13190	18.5
221.15334	12.7
222.13858	8.8
223.14781	15.1
225.16345	4.7
231.11588	10.6
232.12489	5.1
233.13239	8.8
233.15437	3.5
235.14711	12.4
237.12804	2.7
237.16272	8.6
245.13115	10.6
247.14786	9.0
249.16376	11.8
251.17902	3.6
259.14658	8.3
261.16281	11.2
263.17862	4.9
265.19540	2.8
268.09000	2.4
269.13065	2.9
273.16208	3.6
275.17917	8.7
283.20444	4.7
297.22119	2.3
299.18045	4.1
301.19241	2.9
309.22119	2.8
317.22449	3.0
329.22418	3.0
349.25211	5.3
355.24481	2.7
403.29678	3.3
543.66174	2.7
547.39337	3.3
565.40381	18.4
583.32819	3.6
583.41351	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.9
55.62622	2.9
55.89679	2.7
57.03421	3.5
57.07066	4.8
60.91895	2.8
63.19043	2.9
67.05487	35.2
69.07049	13.5
73.31068	3.1
79.05482	27.3
81.07050	27.2
83.08591	6.2
86.10341	3.3
91.05459	26.0
93.07041	30.4
95.04953	4.3
95.08586	27.6
105.07005	17.2
107.08559	6.8
109.10139	12.5
117.06992	4.3
119.08541	18.9
121.10111	14.5
129.06963	4.3
130.68332	3.3
131.08534	12.7
133.10124	13.9
135.11670	4.0
143.08578	5.4
145.10109	11.8
147.11653	5.3
157.10094	13.7
159.11632	6.3
182.99858	3.0
189.27669	3.4
231.54120	4.6
249.10892	27.2
305.13516	6.5
333.24319	3.7
451.28354	3.6
468.37714	5.1
583.35645	100.0
610.54742	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.0
57.03429	3.4
57.07071	7.3
57.33227	1.5
67.05497	33.6
67.77855	1.9
69.07064	9.7
71.08621	2.4
79.05475	16.2
79.60601	1.7
81.07039	22.0
83.08614	3.7
85.10167	1.9
91.05487	15.7
93.07028	18.3
95.04973	2.3
95.08607	20.2
105.07033	11.6
107.08595	13.5
109.10149	19.2
114.35447	1.9
117.07036	3.3
119.08539	13.4
121.10091	7.5
121.65398	1.8
123.07964	2.0
129.06989	3.4
131.08572	10.1
133.10121	7.4
135.11696	3.5
145.10126	7.4
147.11703	6.9
149.50340	1.8
159.11661	2.9
161.26854	1.9
163.11148	2.5
169.10161	2.0
171.11681	7.3
185.13249	3.1
213.75896	2.0
249.10968	45.0
305.13470	2.6
307.22653	2.9
316.01074	2.0
467.37161	2.5
468.37637	18.1
489.53799	2.3
565.38556	10.3
582.38019	7.3
583.35797	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05502	22.8
57.07071	26.1
58.25319	2.7
59.04994	3.7
61.76992	3.0
65.03928	3.6
67.05193	3.6
67.05485	33.6
69.03428	5.1
69.07055	19.3
79.05471	42.1
81.03428	3.5
81.07036	48.7
83.04983	6.6
83.08608	5.7
85.06525	6.7
91.05466	72.7
91.68855	3.3
92.09300	6.9
93.07024	80.3
95.04944	13.9
95.08598	45.1
97.06525	4.5
105.07026	96.5
107.08592	59.3
109.06490	18.7
109.10147	19.0
117.07017	25.4
119.08570	100.0
121.06496	6.5
121.10133	45.4
123.08053	18.1
123.11714	5.1
125.05949	4.3
128.06213	12.9
129.06972	31.1
130.07828	11.4
131.08545	42.2
133.10124	47.6
135.08028	8.0
135.11674	5.5
137.09581	13.0
141.06995	15.8
142.07787	45.1
143.08534	63.4
144.09346	5.3
145.10129	43.2
147.08018	20.8
147.11659	20.3
149.09659	5.6
149.13315	4.1
151.07501	14.2
153.06960	5.7
155.08546	26.8
156.09334	35.9
157.10103	75.8
158.10933	13.8
159.08075	4.7
159.11685	26.9
161.13235	5.5
163.11203	7.8
165.06960	12.9
165.09077	31.0
166.07758	5.1
167.08562	18.3
167.10658	13.2
168.09341	8.1
169.10085	40.6
170.10858	14.0
171.11627	29.0
173.09657	3.5
173.13226	31.0
179.08530	22.5
180.09248	6.6
181.10054	28.8
181.12338	3.6
182.10905	8.1
183.11705	29.9
184.12419	3.9
185.13257	20.4
189.12665	4.4
192.09320	4.0
193.10097	27.8
194.10922	17.4
195.11705	19.4
196.12483	4.7
197.13264	26.2
199.14876	14.9
201.16441	3.9
203.14349	12.8
205.10185	5.5
206.10875	6.1
207.11678	24.3
207.13635	6.1
208.12427	7.6
209.13239	29.1
211.14836	7.1
217.15759	4.1
217.88684	3.4
219.11607	8.0
220.12413	6.2
221.13208	19.1
221.15366	26.1
223.14767	12.0
225.16292	8.0
231.11705	6.7
232.12367	4.9
233.13257	8.2
233.15427	4.9
235.14801	18.4
237.16302	6.6
239.17740	4.6
243.11563	4.9
245.13185	13.8
246.13982	4.7
247.14700	12.7
248.15529	4.3
249.16205	4.9
257.18942	5.1
259.14899	5.6
261.16403	4.8
263.17911	7.7
269.18848	4.6
273.16071	4.4
275.17807	3.9
283.20599	6.7
349.25204	7.5
565.40106	20.5
583.41351	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.0
53.03945	2.1
55.01864	11.3
55.05502	43.0
55.15779	1.2
57.03431	13.3
57.07055	1.7
61.02916	5.4
67.01841	1.0
67.05492	38.2
69.03413	7.6
69.07061	14.4
70.06568	1.0
71.04980	2.3
71.08610	17.3
79.05475	29.3
80.47274	1.1
81.03401	24.3
81.07037	43.7
83.04963	16.4
83.08603	27.1
85.02900	7.6
85.06571	4.2
85.10184	1.3
91.03926	1.6
91.05464	22.4
93.07026	27.7
95.04939	35.5
95.05510	1.8
95.08575	18.8
97.02855	2.8
97.06485	9.1
97.10149	33.7
99.04460	2.0
99.08073	11.1
100.11215	2.1
104.92358	1.1
105.07013	13.3
107.04936	11.7
107.08576	31.4
109.06489	9.4
109.10146	12.1
111.04436	14.9
111.08070	12.4
117.07011	8.7
119.08538	16.9
121.06495	6.7
121.10130	13.2
123.04433	1.3
123.08057	6.2
125.09602	26.5
129.06976	4.3
131.04921	1.4
131.08553	11.9
133.06491	2.6
133.10124	9.1
135.08044	4.7
135.11693	10.0
137.05936	6.3
137.09550	4.1
139.11302	1.3
143.08528	1.6
143.10649	1.9
145.10121	12.1
145.34152	1.2
147.04413	4.7
147.08046	1.6
147.11691	8.7
149.09584	11.6
149.13235	5.0
151.03879	1.6
151.11154	5.2
153.01762	11.0
153.09082	6.0
153.12759	2.6
155.08521	2.1
157.10144	4.4
159.08107	1.3
159.11700	7.4
161.09627	4.3
161.13303	1.7
163.11153	26.9
165.12714	5.9
167.10707	1.5
169.10126	1.4
171.02849	7.3
173.09602	2.1
173.11702	1.4
175.11214	2.1
177.12720	6.2
179.10493	1.6
181.12222	4.7
187.11227	2.1
189.11166	14.2
191.10620	5.0
193.12224	6.3
195.13806	9.4
209.11920	1.7
223.13229	9.1
227.12735	10.7
229.14319	2.2
247.20570	1.8
257.18915	5.3
275.20013	33.4
293.21051	57.7
349.23840	4.4
367.24701	70.3
385.12714	7.4
385.25754	100.0
511.29184	1.7
547.30640	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	582.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21959	0.6
53.00303	1.5
53.03942	1.9
55.01862	8.1
55.05506	23.4
55.43425	0.9
57.03429	19.1
57.07057	1.5
58.19660	0.7
59.04983	1.2
61.02911	5.4
65.03934	1.3
67.05494	70.8
69.03413	4.1
69.07054	33.1
70.26482	0.8
71.04981	7.0
73.02884	1.4
75.21459	0.7
79.05473	38.9
81.03387	7.2
81.07038	100.0
83.04964	8.7
83.08607	21.7
85.02893	7.6
85.06526	6.0
87.04459	0.7
91.03938	1.5
91.05463	35.1
93.07024	54.0
95.04946	8.9
95.08583	33.0
97.02875	4.9
97.06502	16.9
97.10151	7.6
99.04428	0.9
99.08062	3.2
100.11238	1.4
103.03944	1.4
103.05469	1.4
105.07016	29.3
107.04936	10.6
107.08573	38.0
107.09294	1.4
109.02814	1.2
109.06507	10.8
109.10145	28.0
111.08067	9.2
113.06030	1.0
117.06996	16.4
119.04885	1.2
119.08558	22.9
121.06509	5.1
121.10124	20.8
123.08051	4.7
123.11708	7.3
125.09602	5.2
127.03880	1.7
129.06953	1.3
131.04935	1.7
131.08562	20.3
133.06461	1.4
133.10107	26.4
135.04501	0.8
135.08028	5.0
135.11655	12.2
137.05960	5.2
137.09608	3.3
139.07489	1.5
139.11139	1.0
141.07008	1.7
143.08549	4.5
145.06470	1.1
145.10089	13.6
147.08034	1.3
147.11662	11.3
149.09598	10.3
149.12146	1.4
149.13245	25.5
151.11163	4.8
153.01733	1.7
154.00685	0.8
155.08632	1.0
157.10106	5.2
159.07974	1.9
159.11664	24.5
161.09560	1.0
161.13200	5.5
163.11209	5.9
165.09036	1.4
165.12717	1.9
169.10040	1.2
171.02724	1.1
171.10239	1.0
171.11598	1.9
173.09590	0.8
173.11723	9.9
173.13240	6.7
175.11118	1.4
175.14803	1.0
177.12715	16.8
179.14288	4.8
183.11688	1.5
184.07480	0.9
187.11237	0.9
189.09114	4.1
189.11176	1.3
191.10617	1.1
195.13766	8.0
197.13251	1.4
201.09106	1.0
219.10165	8.8
227.12668	2.0
229.14304	24.2
229.19421	1.6
239.17960	3.9
247.20387	1.6
251.16415	4.0
257.18945	4.6
269.17419	87.6
275.19998	24.9
293.21188	3.3
306.25116	0.9
349.23666	59.6
367.24701	48.5
368.24838	1.2
385.12729	0.9
391.19388	1.0
413.21530	4.7
431.22653	5.1
511.28955	3.9
529.29797	2.0
582.23743	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	582.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97707	11.8
67.05494	15.0
69.07050	16.7
70.96677	12.9
79.05470	46.4
80.98297	12.4
81.07039	26.3
91.05473	60.7
91.06042	11.4
93.07021	26.8
95.04940	67.5
95.08572	16.2
99.08860	10.4
103.63520	10.2
105.07038	69.8
107.08560	22.9
109.10113	10.5
117.06990	18.7
118.16646	11.8
119.08556	84.4
121.10124	43.5
123.08060	18.0
131.08548	66.0
133.06503	14.4
133.10133	47.4
143.02133	12.1
143.08572	80.4
143.26070	10.8
145.10097	61.1
147.61263	11.8
155.08546	27.4
156.09268	16.7
157.10104	58.0
159.08104	13.1
159.11551	20.4
167.08524	16.6
169.10126	23.2
171.11647	24.4
175.11139	11.4
179.08566	11.0
181.10126	16.5
183.11639	51.1
187.11304	12.7
193.10120	13.4
195.11685	23.5
206.63258	12.2
207.11745	15.3
209.13249	19.8
211.11221	15.4
217.55290	13.2
221.13171	21.6
225.49510	12.8
273.18491	62.6
279.84219	11.7
279.87259	13.1
352.23837	100.0
444.30298	19.8
501.13037	13.1
582.40131	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	582.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.0
55.05506	26.6
57.03455	2.6
57.07066	6.0
59.14183	2.7
67.05500	21.2
69.07059	6.4
71.71631	2.7
79.05479	28.5
81.03421	3.7
81.07039	51.2
83.04984	4.9
83.08607	15.2
91.05464	18.2
93.07027	16.8
95.04954	15.9
95.08608	13.2
97.06525	4.3
97.10152	19.1
97.68969	3.7
100.33214	3.4
103.43900	3.4
104.12435	3.4
105.07030	15.6
107.08602	16.3
109.10126	4.3
111.04450	8.0
117.07005	14.7
119.08567	20.1
121.06509	4.2
121.10142	7.8
123.08050	7.8
125.09607	14.1
131.08592	5.0
133.10132	4.5
143.08559	4.5
145.10092	12.9
147.08058	14.5
149.09561	5.5
152.87648	3.4
153.09113	3.7
163.11142	13.2
181.12152	4.3
189.11275	3.8
273.18463	22.8
278.10120	3.3
291.19537	100.0
586.29755	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	581.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
57.03432	6.8
59.95912	0.3
61.02920	0.4
69.03413	1.6
70.06576	0.5
72.08137	0.4
75.04464	2.7
79.05468	2.0
80.96690	0.3
81.03415	0.6
84.04504	0.4
85.02877	3.5
91.05451	1.5
97.02876	1.4
98.97559	2.0
100.27837	0.4
103.05436	1.7
105.07018	26.6
106.38615	0.3
107.04938	3.1
116.98605	1.7
119.04886	1.6
121.06465	0.6
122.03547	0.6
124.05240	0.5
127.03910	0.3
131.04857	0.5
133.06473	52.1
134.99626	0.7
137.05962	100.0
138.06369	0.4
138.99139	0.3
145.06425	0.4
147.04391	5.1
147.08006	0.3
148.04742	1.6
149.05966	0.4
150.06851	0.4
151.07603	1.4
157.70447	0.4
158.99638	0.5
161.09561	0.4
163.07510	4.3
165.09085	24.0
165.10480	0.8
175.07489	4.3
177.00656	2.6
177.09073	1.9
181.08612	2.4
182.09355	0.5
183.10141	9.8
203.10651	2.2
209.11691	0.5
221.11726	2.1
225.38672	0.3
226.01459	0.4
229.07269	1.8
237.02769	0.5
238.26553	0.3
239.12741	1.6
257.13794	33.2
310.09811	0.5
314.04315	0.4
329.06784	0.5
344.05750	0.4
359.07709	0.6
365.05170	0.5
389.09018	0.6
512.40582	0.4
549.01141	0.5
565.76135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80936	2.7
55.05501	43.3
57.07075	24.4
67.05490	64.1
69.07055	57.1
71.08606	15.0
79.05470	40.3
81.07041	100.0
83.08601	22.9
85.06532	6.7
91.05455	21.8
92.58553	3.3
93.07017	70.6
95.04959	4.9
95.08585	87.2
97.06490	3.6
97.10133	18.4
105.07005	26.3
107.08569	62.4
109.10143	49.6
111.11716	4.1
119.08555	23.0
121.10124	47.3
123.08027	4.8
123.11691	14.9
125.09684	4.7
133.10098	45.0
135.11684	31.7
138.81009	3.4
147.11630	3.9
149.13261	37.9
161.13243	8.5
163.14774	13.5
165.12677	4.2
171.91112	4.6
190.89723	3.4
207.65643	3.2
221.71509	4.7
250.82616	3.6
273.25623	14.2
283.71793	3.6
291.26749	28.7
406.06723	4.6
455.46173	4.0
466.35690	4.2
467.37070	7.7
581.37805	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	1.5
69.03425	3.2
69.07072	0.9
74.76132	0.7
76.84170	0.8
79.05460	1.3
81.03404	1.0
81.07014	1.1
83.08555	0.8
84.08138	0.9
85.02897	9.7
85.06470	0.8
91.05471	3.6
93.07082	1.1
97.02862	1.7
105.06979	1.7
107.04946	1.1
109.02860	0.9
110.96776	0.9
116.01648	1.6
117.07005	1.0
119.04838	0.8
119.08579	0.9
120.70017	0.8
123.04402	1.1
127.03891	1.4
128.06207	1.0
129.06949	8.6
131.04900	1.8
131.08546	8.5
137.05956	19.9
141.06952	8.4
145.04961	1.1
145.06378	1.0
147.04436	1.2
153.01866	1.9
157.06488	7.2
158.07246	5.0
159.08035	9.0
160.05177	1.2
161.05992	1.1
161.09598	1.0
163.07489	1.7
169.06436	6.1
170.07306	1.6
174.06744	23.3
175.07489	6.1
176.34361	0.9
177.05354	1.0
186.06763	4.6
189.09058	35.0
191.10625	1.4
201.09059	15.9
219.10124	100.0
265.08664	0.9
305.79459	0.8
343.15225	3.3
355.15396	1.1
582.22839	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	580.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	36.7
56.66269	5.8
57.03419	28.5
65.94616	5.8
67.05491	91.0
69.03445	6.3
69.07056	17.6
77.10234	6.6
79.05482	69.4
81.03410	68.7
81.07037	100.0
82.09087	7.0
83.04972	13.7
83.08580	14.1
85.02893	28.3
91.05461	76.4
92.38117	9.2
93.07002	78.8
95.04936	36.5
95.08598	62.5
99.87745	6.7
105.07003	36.0
107.08584	28.1
109.10141	11.8
111.08052	12.5
117.06950	10.1
119.05984	7.3
119.08583	32.9
121.10139	13.0
122.14561	9.1
131.08566	16.4
133.10143	14.6
157.10086	8.3
169.37543	6.7
175.11168	8.2
176.64395	7.4
181.15034	6.1
193.12189	16.1
202.78284	7.7
208.93719	7.6
211.13226	28.4
267.15955	8.3
285.16895	36.2
335.25766	81.8
392.57907	6.9
527.36737	7.8
545.38257	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.1
53.31431	5.2
54.04824	4.8
55.05514	42.2
57.03426	36.7
62.10949	5.2
67.05495	100.0
69.07056	25.5
71.04949	6.6
79.05476	88.7
81.03405	82.8
81.07025	88.0
83.04968	26.0
83.08593	27.8
85.02889	27.1
91.05442	65.2
93.07032	71.8
95.04942	28.1
95.08578	50.8
97.06524	6.4
98.91032	5.7
105.07010	43.8
107.08598	29.9
109.10155	11.4
117.07070	7.9
119.08553	39.3
121.10125	31.2
129.06995	12.1
131.08534	30.1
133.10098	25.2
141.59244	6.1
145.10242	6.8
147.11696	14.0
157.10057	9.9
175.11176	8.4
193.12270	35.5
197.37587	6.1
211.13234	52.5
267.15915	12.6
285.16916	69.7
335.25778	70.0
479.57788	7.7
545.38092	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78181	5.1
55.05507	46.0
57.03433	37.1
67.05499	84.7
69.07066	26.7
79.05485	61.3
81.03413	56.3
81.07040	87.2
83.04986	12.5
83.08598	23.4
85.02895	34.9
86.52319	4.9
91.05455	43.4
93.07041	73.2
95.04950	21.7
95.08572	62.5
97.10199	5.9
105.07021	27.9
107.08592	28.9
109.10162	13.2
111.08134	5.8
117.06995	7.8
119.08564	30.3
121.10144	23.7
122.86156	5.7
133.10138	9.7
135.11705	10.3
145.10152	7.3
147.11635	6.5
157.10088	7.0
175.11064	8.9
193.12251	36.6
211.13281	34.8
285.16965	28.8
335.25674	69.4
394.55658	5.8
397.61990	5.7
470.73056	5.8
545.38135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78915	5.7
53.03967	5.2
54.81399	6.4
55.05501	40.7
55.05751	6.1
57.03423	34.5
67.05497	85.5
67.59296	6.0
69.07050	16.2
71.04961	7.5
76.55980	7.5
79.05494	52.3
80.66521	5.9
81.03391	49.8
81.07046	80.0
83.04964	10.5
83.08600	29.8
85.02905	8.9
90.80287	6.8
91.05466	42.6
93.07025	84.8
95.04940	40.2
95.08580	52.6
98.35231	7.7
105.06996	34.8
107.08581	43.3
108.08894	9.3
109.10153	15.2
119.08536	32.5
121.10093	31.1
131.08560	11.8
133.10114	12.1
135.11699	9.9
145.10078	7.7
163.11154	7.9
164.11531	9.5
174.58904	7.1
187.55159	7.3
193.12160	13.8
211.13258	34.3
228.13068	12.3
252.81398	7.1
284.15927	7.9
285.16696	30.4
335.25726	75.9
336.25781	8.6
337.26691	9.8
545.38037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54089	2.3
55.01871	5.6
55.05510	41.8
57.07065	2.7
61.37314	3.5
67.05488	28.8
69.07065	12.3
77.23396	2.8
79.05487	20.4
81.07042	34.3
83.04943	5.6
83.08601	21.3
85.10168	2.9
91.05466	5.6
93.07035	20.9
95.04951	60.1
95.08583	16.5
97.10162	31.1
105.06992	6.0
107.04943	4.2
107.08602	20.9
109.06538	4.0
109.10152	4.8
117.06982	4.9
119.08569	6.4
121.10088	4.5
124.29592	3.1
125.09589	21.4
131.08575	4.2
135.11685	6.4
145.10083	5.4
147.08014	3.5
149.09613	14.8
153.09109	17.4
159.11620	4.4
163.11185	16.0
171.11745	3.0
189.11208	12.9
223.13278	12.8
275.19986	12.7
293.21063	100.0
445.61420	3.0
527.41107	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	581.1869
Annotation	(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.76365	0.6
53.03926	1.2
55.01866	2.7
55.05507	1.2
57.03430	10.3
60.28460	0.7
64.33044	0.6
66.60219	0.5
67.05476	1.1
68.99792	2.3
69.03421	3.6
71.04973	26.3
71.97337	0.6
73.02914	1.1
75.04446	0.8
79.05469	1.4
81.03391	7.9
83.04957	1.4
83.09843	0.6
85.02888	57.6
86.09701	1.0
91.05457	3.9
95.04949	8.3
97.02869	7.1
99.04436	3.4
103.03927	0.7
105.06995	0.7
107.04939	4.3
109.02889	6.8
109.06498	0.8
111.00777	1.3
111.04423	1.4
115.59234	0.7
118.86031	0.6
119.04932	5.6
121.02843	12.2
121.06483	4.3
123.04406	11.4
125.02357	3.4
127.03870	4.8
129.05475	3.5
133.02914	0.7
135.04405	4.2
137.02306	1.0
137.05946	2.6
139.03952	0.9
141.01825	3.0
142.45120	0.7
145.05009	0.8
147.04379	21.8
147.05472	1.1
149.02335	3.6
151.03899	2.9
153.01801	21.3
159.04453	0.8
163.03883	8.4
165.01797	41.5
165.05490	3.7
171.02873	6.4
175.03923	2.6
177.01784	16.2
177.03192	0.9
177.05272	2.4
179.03366	2.9
180.40758	0.7
181.04878	0.8
183.02847	43.8
187.03857	1.6
189.01813	3.9
191.03362	30.5
193.01274	1.5
193.04881	1.0
195.02852	100.0
203.03398	4.2
205.01277	0.9
205.04883	7.1
207.02855	6.4
209.04417	5.8
213.03879	14.8
213.05722	0.7
215.03441	2.9
217.01347	1.2
219.02855	46.4
220.15015	1.3
220.65025	0.9
221.04385	1.4
225.04001	0.9
229.15558	2.3
229.65576	1.0
230.15201	1.0
231.02852	11.6
233.04480	4.3
237.03908	8.0
237.14279	0.8
238.15950	5.8
238.66010	4.7
239.16019	0.9
243.02956	4.8
245.04456	1.2
246.14668	0.7
249.03883	14.4
261.03885	27.8
273.07489	10.5
279.04889	11.2
285.07510	30.1
286.07498	0.9
287.05405	1.2
297.06284	10.6
305.06335	0.8
314.07397	0.8
315.08578	22.4
339.08588	16.3
341.08600	0.8
351.08572	3.5
363.08176	0.9
369.09610	7.5
381.09689	7.2
399.10718	11.8
407.10068	3.4
417.11694	21.5
425.11493	1.6
425.24197	3.0
435.12726	32.5
440.12228	0.7
491.29117	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	580.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19135	2.1
53.03934	15.1
55.01865	6.1
55.05504	34.2
57.03425	3.7
57.07067	4.8
59.04979	2.2
67.05145	4.3
67.05494	97.5
69.03413	36.1
69.07050	33.8
71.08593	4.7
79.05479	35.5
81.03402	69.9
81.07042	100.0
83.04977	6.0
83.08595	17.4
85.02889	21.4
91.05450	29.3
93.07020	42.5
95.04931	13.5
95.08584	68.8
97.02892	35.1
97.06515	3.9
97.10146	9.0
99.04434	11.0
105.07027	28.5
107.08573	24.1
109.02875	12.1
109.06465	2.7
109.10143	28.7
111.04440	4.8
111.11674	3.9
114.79058	2.6
117.06995	9.9
119.08539	26.0
121.06456	21.0
121.10114	19.5
123.08108	3.1
123.11698	15.5
127.03873	5.1
131.08536	16.5
133.10088	15.4
135.11639	13.2
135.74155	2.5
143.08549	4.5
145.10129	6.3
145.69974	2.5
147.11720	6.3
149.13219	4.8
157.10211	2.9
159.11711	4.3
161.13243	12.8
163.14871	3.3
171.11674	3.7
173.13182	4.4
175.14830	4.6
177.12822	2.9
187.14783	2.9
229.08658	2.9
245.22588	4.5
263.23715	13.3
303.23056	5.5
305.24744	4.5
317.62128	3.2
328.61136	2.7
329.24670	3.5
343.26321	10.2
353.24716	5.8
371.25693	28.2
389.26767	32.4
407.27850	32.4
425.28918	4.9
511.88724	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71904	4.1
55.01858	8.1
55.05499	40.0
57.03427	23.2
60.84678	4.7
62.79144	4.8
67.05488	92.6
69.07065	37.2
79.05489	52.4
81.03391	7.1
81.07039	100.0
83.04968	7.2
83.08604	13.0
89.94028	5.2
91.05460	37.1
92.09273	14.6
93.07016	61.0
95.04964	12.1
95.08578	71.6
97.10210	6.7
99.03455	4.8
105.07034	33.2
107.08591	47.1
109.10114	6.4
116.57337	5.5
117.07005	7.0
119.08586	30.8
121.10135	10.8
133.10120	12.2
135.11700	42.3
145.10086	25.3
163.11172	36.0
181.12302	6.5
215.64474	5.4
227.12799	34.2
283.15347	37.4
285.17035	21.2
335.25873	36.1
337.27295	53.5
545.38275	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	2.5
53.03926	4.5
54.81815	1.0
55.01867	19.4
55.05505	35.2
57.03171	1.5
57.03430	24.7
57.07075	2.0
61.02916	11.7
65.03921	1.7
67.05494	100.0
69.03420	10.1
69.07056	66.4
69.07447	1.5
71.04966	6.1
73.02905	2.9
79.05475	54.5
81.03398	13.6
81.07037	72.4
83.04963	10.0
83.08604	14.8
84.49619	1.2
85.02896	14.1
85.06524	2.8
85.62481	1.2
91.03918	2.6
91.05464	55.8
93.07021	58.5
95.01308	1.2
95.04951	14.5
95.08586	54.9
97.02872	7.6
97.06516	22.0
97.10158	9.1
99.04430	1.4
99.08048	2.8
103.05413	1.6
104.85753	1.0
105.04449	1.5
105.07018	52.6
107.04955	15.8
107.08582	27.6
109.02818	1.5
109.06478	4.6
109.10142	34.0
111.08076	5.5
115.05460	1.1
115.07539	1.7
117.06989	18.0
119.04920	1.9
119.08563	36.0
120.11034	1.2
121.06508	8.1
121.10136	13.5
123.04372	1.2
123.08061	9.5
123.11693	2.9
125.05971	1.2
125.09609	5.8
127.03866	1.7
129.05487	2.3
129.06982	6.7
131.08556	25.8
133.06450	1.8
133.10115	29.0
135.08058	6.3
135.11682	11.9
137.09628	9.4
141.07033	1.9
143.08556	8.5
145.10120	23.7
147.04379	5.4
147.08032	5.5
147.11650	17.4
149.09595	22.2
149.13237	4.6
151.11136	4.7
155.10709	1.2
157.10127	4.8
159.11649	19.6
161.09608	2.7
161.13213	8.0
163.11140	13.8
165.12781	1.1
169.10107	1.7
171.10127	11.1
171.11655	5.4
173.11717	7.9
173.13255	8.6
175.11058	2.3
177.12726	4.7
179.14310	2.2
183.11678	1.9
185.13214	1.5
187.11298	1.9
187.13275	1.5
223.13290	1.5
229.14331	21.5
229.19441	2.2
239.17923	5.8
243.15948	2.1
247.20554	4.7
251.19960	1.3
253.17958	2.8
255.15858	1.5
257.19025	9.9
269.17499	1.3
270.94150	1.4
275.20023	38.7
291.19540	2.7
349.23682	99.7
361.26031	1.3
367.24692	10.0
383.24185	1.5
521.88123	1.2
550.88733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81630	1.2
52.36040	1.3
52.74492	1.2
53.03942	6.9
55.01870	16.4
55.05507	47.6
57.03434	16.9
61.02909	9.3
64.28973	1.4
65.03917	2.2
67.05496	58.3
69.03420	11.8
69.06712	2.1
69.07052	32.5
71.04972	10.9
73.02911	3.2
75.04475	1.4
75.72264	1.4
79.05476	60.4
81.03409	26.6
81.03889	2.2
81.07043	94.5
83.04973	19.7
83.08611	29.5
85.02896	15.0
85.06519	3.9
91.05463	40.0
93.07027	48.9
95.04953	29.6
95.08591	29.6
97.02872	3.6
97.06512	24.6
97.10145	41.3
99.04444	3.5
99.08072	3.3
100.11247	6.0
105.07019	31.9
107.04948	19.2
107.08587	39.7
109.02848	3.8
109.06514	14.2
109.10150	22.3
111.04440	19.7
111.08078	12.5
115.07538	2.1
117.06991	21.6
119.04925	2.6
119.08559	31.3
121.06484	14.5
121.10112	19.5
123.04419	2.1
123.08057	32.4
123.11710	2.8
125.05972	2.6
125.09614	30.7
127.03894	7.5
129.06981	9.8
131.08537	20.8
133.06435	8.5
133.10083	18.6
135.08063	15.4
135.11623	16.0
137.05954	4.0
137.09583	11.5
139.07397	1.9
139.11169	2.4
141.06955	2.1
143.08542	8.7
145.06508	2.0
145.10120	27.9
147.08003	14.4
147.11649	9.0
149.09604	11.4
149.13257	3.7
153.09099	6.4
153.12755	7.8
155.08479	1.8
157.10117	10.5
159.08005	1.8
159.11652	11.5
161.09583	13.1
163.11147	29.3
165.09082	7.9
166.71268	1.8
171.11629	3.2
173.09567	3.3
173.13258	1.6
175.11142	5.8
177.12727	2.3
181.10201	1.6
181.12222	8.9
182.15326	1.9
184.07283	2.1
185.13167	2.5
187.11215	1.9
189.11240	18.0
191.10625	10.9
193.12183	3.2
209.11685	2.0
210.14859	1.7
216.21573	1.6
221.72598	1.6
227.12724	12.8
245.19017	2.0
249.14874	1.9
255.17471	3.3
263.20074	3.3
269.17459	7.9
273.18423	43.2
283.15286	2.8
291.19492	82.0
309.20499	11.9
347.22040	2.7
365.18600	3.6
365.23187	100.0
379.98785	1.7
383.24243	68.3
406.21094	1.6
435.23853	3.4
453.24692	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	579.22
Annotation	ES-242-4 atropisomer
Peak:m/z	Relative Intensity
54.23785	0.7
55.05477	0.9
55.62962	0.6
64.05473	0.8
67.05495	1.4
69.07026	0.9
69.47588	0.8
69.54620	0.8
79.05448	0.9
81.03393	0.8
81.07011	1.0
85.02891	0.9
86.64014	0.7
91.05408	0.8
92.81660	0.8
97.02871	0.8
97.06498	0.8
98.97557	0.7
99.04432	1.2
103.05431	0.7
105.07003	1.4
107.08597	1.4
109.10166	0.9
119.08578	0.8
133.10161	1.0
137.05940	3.9
145.10159	0.9
151.07593	0.8
153.01831	1.2
204.07538	3.2
271.05945	1.2
313.06946	0.9
336.03409	0.8
364.12439	1.1
382.13663	0.9
382.21234	3.5
396.19214	1.1
414.20276	1.1
458.60922	1.0
579.21832	100.0
580.00781	0.9
580.22632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01861	2.8
55.05507	18.0
57.03417	12.4
57.07064	5.4
61.23262	2.1
64.98176	2.0
67.05146	3.6
67.05491	99.3
69.07043	15.5
71.04979	3.1
73.02908	4.6
79.05466	45.1
81.03409	3.7
81.07037	100.0
83.08599	4.9
85.02902	3.2
91.05463	30.9
93.07021	64.9
95.08583	72.1
98.98447	19.9
105.07032	18.6
107.04939	2.5
107.08582	42.3
109.02851	5.8
109.10152	40.1
110.33125	2.6
111.04426	3.1
117.06951	12.9
119.08561	24.6
121.10113	32.5
123.11639	18.7
125.73300	2.2
127.03869	3.0
131.08525	24.1
133.10072	17.9
135.11636	29.3
137.13266	3.3
145.10130	18.7
147.11668	12.6
149.13248	19.6
155.01036	12.3
159.11665	18.8
161.13235	15.8
163.14757	13.3
173.13219	13.6
177.16368	3.5
187.14783	9.6
209.23184	2.2
215.12857	2.3
231.11908	2.3
235.91821	2.3
243.20976	22.6
261.22089	80.5
268.30807	2.6
335.25732	19.9
337.27234	5.4
353.26831	51.2
579.35059	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	579.3656
Annotation	Arg Tyr Leu Lys
Peak:m/z	Relative Intensity
55.05503	1.7
57.16073	1.1
60.85027	1.2
72.46102	1.1
73.54341	1.6
81.07046	1.6
88.28956	1.3
92.09366	2.1
109.10126	1.8
220.91942	1.3
274.13718	1.3
443.80505	1.5
478.88745	1.4
561.86572	1.5
579.36414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05505	29.8
57.03420	3.8
59.04990	8.0
61.02914	3.1
67.05481	1.8
69.03416	14.0
69.07057	11.7
70.06596	0.7
71.04971	4.5
72.08143	0.8
73.02901	1.8
73.06541	1.1
79.05488	0.8
80.27635	0.6
81.03414	10.2
83.04967	36.0
85.02892	41.2
87.04458	0.7
91.05454	4.2
93.07021	1.2
94.36559	0.7
95.04918	5.3
95.08583	3.2
97.02877	20.0
97.06519	5.7
97.78017	0.7
99.03774	0.7
99.04434	26.3
101.06001	100.0
103.03925	40.1
105.07008	2.9
107.08568	4.9
109.02874	11.1
109.06488	1.5
109.10133	5.8
111.08046	1.5
117.06967	1.1
119.07053	6.1
119.08513	1.5
121.06483	4.4
121.10104	0.9
127.03900	41.9
131.04919	1.0
131.08537	0.9
133.06543	0.8
133.10056	1.0
135.07071	1.3
135.08037	24.0
135.09067	0.9
135.11693	0.8
137.05960	2.9
137.09599	13.6
145.04942	18.0
147.04407	1.3
147.11623	1.3
151.11121	1.7
153.12729	18.0
159.11630	0.9
161.09592	1.0
161.13277	0.9
163.06004	13.6
163.07378	1.3
179.10686	1.4
187.05928	1.1
187.07547	1.3
193.12225	1.8
195.13771	14.5
203.10625	1.3
205.08737	1.0
221.11711	3.2
239.12733	31.9
249.04012	0.7
263.11221	7.8
271.08267	1.3
289.09189	2.8
307.10168	7.0
383.17004	1.4
452.27130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00405	0.6
56.92109	0.7
67.11341	0.8
69.03400	0.9
70.06590	0.8
79.36658	0.8
82.59679	0.8
85.02899	1.1
95.01064	1.2
97.02916	1.0
97.55763	0.8
113.02081	1.0
127.03863	1.6
139.03877	1.3
147.04367	1.0
175.03625	22.9
182.94499	0.8
183.61993	0.7
185.04239	4.5
198.55612	0.8
201.03691	3.6
259.06836	0.8
282.80566	0.8
316.44720	0.8
326.59171	0.9
579.20380	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	579.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00516	1.1
83.01061	1.3
85.02905	1.9
96.01816	1.5
113.02129	2.5
116.10824	1.3
127.03888	4.9
137.05833	1.7
139.04013	1.6
147.04395	2.6
175.03651	23.5
185.04208	1.7
202.04382	1.8
203.03188	1.4
232.58702	1.4
579.20392	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	579.1705
Annotation	Vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
57.03434	0.7
59.90751	0.4
65.42773	0.5
66.92650	0.5
70.64289	0.5
70.69401	0.5
71.04972	2.5
75.61701	0.5
79.01819	1.1
85.02893	3.9
95.04911	0.5
109.02909	0.7
119.04920	1.2
121.02848	14.2
145.02838	0.9
163.03862	0.7
165.01823	3.1
171.02896	0.7
183.02855	1.0
188.59669	0.6
191.03352	1.1
195.02921	0.8
205.04901	0.7
211.07283	0.5
213.05421	3.7
217.04971	5.0
219.02928	0.7
226.43642	0.6
227.06906	0.7
228.83746	0.6
243.02840	1.2
243.06409	1.3
255.06433	3.7
256.07208	6.0
259.06006	2.2
261.03946	4.5
271.05893	7.4
283.05960	67.7
284.06720	40.9
285.07373	3.1
288.22565	0.6
295.05939	15.9
295.09244	0.6
297.07510	18.6
307.06104	0.7
308.06769	3.7
309.07559	5.7
311.05377	3.5
311.08743	0.6
313.07010	100.0
314.07370	3.0
321.07401	0.7
323.05499	2.0
323.09064	17.8
325.06976	4.5
327.08643	1.0
337.07007	22.7
343.08197	6.1
349.07059	1.1
351.08716	6.5
355.08176	2.7
361.07062	0.8
367.08054	11.7
379.08084	10.8
397.09103	22.9
415.05048	0.9
415.10098	17.2
433.11218	66.2
434.11554	1.1
579.16956	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95047	1.3
53.00292	2.8
53.03933	12.0
54.82062	1.4
55.01859	8.5
55.05505	36.1
55.14991	1.1
55.85238	1.4
57.03436	11.2
57.07058	2.2
61.02956	1.3
65.03902	1.4
67.05494	100.0
67.26059	1.3
68.58775	1.6
69.03420	43.5
69.07050	24.2
71.04984	9.2
73.02875	1.4
76.00004	1.4
79.05012	1.3
79.05477	73.4
81.03403	76.7
81.07043	90.5
83.04969	13.3
83.08601	10.2
85.02891	27.1
91.05467	61.3
93.07027	78.5
95.04946	12.0
95.08589	59.7
97.02868	29.0
97.06512	5.5
97.10145	6.7
99.04455	6.5
103.05418	2.1
105.07013	49.2
107.04955	6.0
107.08575	44.6
108.04419	3.0
109.02868	15.6
109.06497	9.5
109.10158	25.1
111.04446	7.0
117.06993	25.5
119.05013	1.5
119.08562	43.5
121.06492	24.1
121.10120	36.4
123.04389	1.8
123.08032	2.4
123.11674	8.7
125.09598	2.0
127.03877	8.8
128.06238	1.7
129.06993	16.2
130.07756	2.5
131.08559	32.6
133.06528	3.2
133.10115	21.1
135.08020	3.1
135.11693	19.6
137.09592	2.0
141.07007	3.2
142.07738	2.5
143.08546	13.9
145.10088	27.0
147.08038	3.1
147.11667	18.4
149.09581	2.5
149.13240	11.7
155.08572	2.7
157.06468	1.9
157.10109	11.2
159.08026	3.8
159.11676	22.8
161.09618	2.7
161.13214	10.6
163.07484	2.6
163.11205	6.7
163.14867	2.2
165.06989	2.0
165.36900	1.6
167.08572	2.6
169.10124	6.7
171.08118	2.5
171.11707	10.9
173.09674	2.8
173.13200	11.6
175.14906	3.1
181.10106	1.6
183.11671	3.3
185.13269	3.3
187.14738	5.9
188.96790	1.6
195.11815	2.1
197.13290	1.8
199.11043	1.8
199.14769	2.9
201.12846	1.7
201.16328	1.8
202.97258	1.6
209.13220	6.5
213.16333	1.9
221.15411	1.7
243.21085	1.7
259.20554	3.6
261.22012	12.2
273.22156	2.3
276.95682	1.5
277.21600	3.7
279.23114	1.9
285.22159	2.6
291.23193	2.1
301.21539	2.6
303.23215	9.2
315.23163	6.4
319.22748	2.2
323.23868	1.8
327.23190	2.1
341.24753	6.3
351.23218	6.1
359.25653	2.1
369.24182	21.1
387.25235	23.3
405.26233	23.4
419.25916	1.7
423.27283	3.3
507.63745	1.8
590.21063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.9
55.01860	3.3
55.05507	35.2
57.03429	18.2
65.03925	3.2
66.15902	1.5
67.05495	70.9
69.07060	21.8
71.04948	2.6
73.75517	1.9
79.05476	72.4
81.03393	3.7
81.07041	77.1
83.04965	7.6
83.08617	20.4
91.05473	26.7
93.07023	100.0
95.04947	14.8
95.08585	94.4
97.02840	3.1
97.06512	8.1
97.10121	3.2
105.07030	17.3
107.04936	10.9
107.08578	57.9
109.06500	2.9
109.10166	20.9
117.07007	21.4
119.08550	23.9
121.06482	8.0
121.10134	32.6
125.05903	4.1
130.07764	2.3
131.08528	8.1
133.10101	9.7
135.11671	78.9
143.08481	3.2
145.10118	45.9
147.11674	3.3
163.11151	82.8
163.14827	2.4
181.12201	14.1
185.30638	1.8
227.12740	93.5
261.22122	3.7
283.15350	66.8
313.80457	2.0
335.21930	3.2
335.25745	80.4
410.50699	1.9
507.53040	2.0
543.36664	69.0
544.36469	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	578.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35026	1.5
53.03923	2.1
53.15933	1.6
55.01875	14.7
55.05508	42.1
57.03426	3.2
61.35397	1.5
67.05495	41.0
68.48933	1.5
69.03401	4.2
69.07050	11.7
72.61629	1.8
79.05473	53.2
81.03402	6.6
81.07042	83.5
83.04965	13.3
83.08609	25.2
85.06519	2.2
91.05464	23.7
93.07023	30.3
95.04958	22.8
95.08591	21.3
97.06523	3.6
97.10158	32.9
99.08013	1.7
102.50480	1.7
105.07018	20.7
107.04925	9.2
107.08571	24.7
109.06498	8.3
109.10119	9.7
111.04441	14.1
111.08057	8.6
117.07014	17.8
119.08557	33.5
121.06497	6.9
121.10114	15.7
123.08025	16.6
125.09592	20.7
129.06984	3.8
131.08562	14.6
133.06444	3.4
133.10097	8.6
135.08043	7.4
135.11688	9.5
143.08588	7.7
145.10095	23.1
147.08026	18.4
147.11737	6.2
149.09583	8.8
153.09117	7.2
153.12697	6.9
159.11664	3.9
161.09596	6.9
163.11177	13.7
165.09097	7.4
171.10173	2.1
181.12225	6.8
185.13261	3.1
189.11182	14.4
191.10641	3.4
216.53941	1.7
223.13179	3.6
227.12744	7.3
235.20523	2.9
249.14809	2.9
273.18469	19.1
291.19495	100.0
291.22818	3.4
309.20386	3.8
415.63416	1.8
485.76880	2.0
544.92603	1.9
559.67468	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42989	0.6
65.65867	0.5
66.99236	0.6
69.03407	0.8
70.06577	0.9
79.05499	0.8
83.04947	0.5
85.02906	1.5
85.06574	0.6
91.05471	1.3
95.04954	0.8
97.02929	1.1
97.06503	0.6
99.04449	1.0
105.06998	1.1
119.04929	0.7
120.08080	1.0
135.08009	0.9
137.05963	5.3
147.04440	1.0
174.11571	0.6
225.10150	4.8
226.11096	4.6
241.13358	3.6
245.09352	1.6
257.38034	0.6
269.09256	1.4
285.12280	36.2
286.11868	2.9
295.10706	1.5
296.10376	0.8
310.11743	1.0
312.09772	1.6
312.13272	0.8
318.12119	0.8
324.10086	0.8
324.13177	5.0
336.13412	0.9
338.11414	0.8
348.13574	0.7
362.11276	1.2
376.16928	0.8
381.16870	3.0
392.16153	3.4
394.18042	1.0
396.18948	5.1
422.17068	8.8
440.18085	100.0
441.18323	1.5
559.25238	3.0
577.26563	41.5
578.26031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21274	1.9
55.05498	3.8
57.07069	4.0
57.34098	2.5
57.94599	3.1
63.58912	2.3
67.05489	13.3
69.07053	5.7
73.60846	2.5
79.05502	5.2
81.03401	11.4
81.07042	19.9
85.10175	9.3
91.05472	5.3
93.07000	5.9
94.09667	2.3
95.04960	4.4
95.08575	9.7
105.07005	9.7
107.08565	4.8
109.10136	2.7
113.09624	6.0
119.08533	3.5
121.06512	3.1
121.10132	2.5
126.20430	2.5
131.08527	3.0
133.10045	3.6
135.11650	4.1
137.09531	2.9
145.10080	2.5
151.11201	6.1
165.12753	9.1
249.18370	12.2
250.18811	3.7
267.19473	14.3
268.20135	4.7
275.19894	3.3
276.20407	3.6
577.40564	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	578.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.5
55.01849	5.5
55.05497	12.4
56.52659	4.3
57.03425	19.7
57.91619	5.1
62.51561	4.6
63.40823	4.8
67.05484	45.1
69.03423	11.4
69.07069	6.8
69.76089	5.4
76.84852	4.7
79.05479	60.5
81.03389	24.4
81.07040	100.0
82.39170	4.7
83.04963	6.8
83.08620	8.2
85.02908	12.8
91.05451	34.3
93.07040	44.6
95.04942	20.2
95.08592	10.6
97.02895	7.6
97.10155	7.4
97.77248	5.5
105.07009	20.8
107.04926	12.1
107.08600	21.3
109.06481	40.7
109.10114	9.8
111.04416	5.1
111.08090	6.1
117.06994	13.0
119.08561	20.4
121.06474	9.2
121.10142	21.0
123.08054	7.5
129.07050	6.4
131.08531	21.6
133.10129	10.7
134.84471	6.4
135.07986	5.9
137.09595	6.6
142.07787	5.1
143.08495	7.3
145.06462	7.2
145.10077	10.2
149.09592	10.2
155.08667	6.0
163.11089	6.8
191.10648	5.7
241.14394	5.8
271.16827	12.4
289.17984	33.5
307.18964	7.1
309.99203	5.4
363.21576	58.5
381.22754	44.9
493.27487	6.0
528.01013	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	578.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00699	1.1
53.03928	2.2
54.81404	1.2
55.01870	2.7
55.05506	20.7
57.03418	7.1
57.07061	2.1
59.05002	2.3
61.02917	3.1
67.05487	36.9
69.03408	1.6
69.07050	13.2
71.04968	16.8
76.55747	1.2
79.05467	37.2
80.41698	1.1
81.03406	9.0
81.07036	95.5
83.04967	5.2
83.08603	13.3
85.02902	5.7
85.06515	1.7
87.04480	1.8
88.05959	1.4
91.03939	1.4
91.05462	30.6
93.07018	26.4
95.04939	11.7
95.08572	21.7
97.02877	1.7
97.06509	7.0
97.10169	1.8
99.04459	1.2
99.08070	5.5
105.07012	25.5
107.04955	12.2
107.08588	13.2
109.06499	39.5
109.10152	9.6
111.04430	5.8
111.08044	2.5
113.09644	1.7
115.25999	1.2
117.07006	5.8
119.08556	20.4
121.06492	5.9
121.10097	14.7
123.08065	9.0
123.11690	3.1
125.09730	2.0
129.06969	3.3
131.08549	12.3
133.10107	14.3
135.08034	5.3
135.11656	6.0
137.09622	2.0
141.07033	1.9
145.10085	9.7
147.11664	13.2
149.09653	9.4
149.13239	6.4
151.11118	3.0
157.10178	3.3
159.11656	6.0
161.13301	1.7
163.11165	6.7
165.12718	5.8
173.13219	1.7
175.11153	1.4
177.12656	1.6
180.32526	1.5
193.12331	2.4
229.19670	2.0
247.20599	5.3
257.18781	1.6
261.68738	1.5
267.15808	1.7
275.19974	30.5
275.68857	1.4
293.20996	2.2
307.22620	2.5
349.23666	100.0
367.24606	4.5
381.26300	38.3
466.77597	1.6
538.79883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	4.2
53.42164	3.4
54.81549	3.9
55.01849	4.6
55.05497	28.4
57.03410	3.3
57.07064	31.7
57.21758	3.1
59.04591	3.4
65.19552	4.1
67.05489	37.1
69.07053	22.6
79.05466	41.9
81.03389	9.0
81.07057	52.8
83.04964	9.4
83.08597	8.3
84.64104	4.3
85.10156	51.4
91.04982	4.1
91.05458	40.7
93.07027	39.6
95.04945	19.5
95.08591	43.9
97.06522	5.9
99.08047	3.8
103.06628	3.7
105.07032	29.7
107.04955	22.7
107.08573	19.6
109.06498	5.2
109.10165	7.0
111.08051	7.2
113.09631	50.0
117.06969	6.9
119.08566	21.3
121.06512	4.7
121.10104	17.8
124.09233	4.4
129.07016	6.2
131.08553	23.7
133.10118	9.0
135.11649	6.3
139.15233	3.8
145.10114	18.3
147.11664	16.2
149.09607	23.2
151.11195	10.2
159.11646	4.9
163.11168	18.4
165.12703	65.5
171.11621	7.6
247.16844	5.9
249.18420	6.6
265.17957	25.0
267.19644	7.2
275.20044	17.6
277.21597	62.2
286.48956	4.6
290.46698	4.3
295.22592	100.0
321.87686	4.5
541.38226	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	577.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97020	0.3
52.07669	0.3
58.85789	0.3
67.05479	0.4
69.03419	0.7
70.06554	0.5
81.07042	0.4
83.64992	0.3
85.02893	0.5
86.06069	0.4
91.05466	0.4
93.06968	0.4
95.04900	0.4
97.02849	0.5
101.23217	0.4
109.06516	0.5
113.31680	0.4
119.04901	0.4
119.08549	0.4
122.05968	0.8
136.07535	0.7
137.05946	1.6
143.16098	0.4
145.10165	0.5
147.04326	0.4
164.07040	0.7
275.15356	1.9
277.12027	0.6
279.66428	0.5
280.14301	0.5
288.11176	5.7
289.11917	0.6
290.12814	0.6
301.12234	0.4
302.12839	2.8
303.13705	2.2
304.14603	1.5
305.12161	0.4
305.15149	3.2
316.14304	1.4
317.11676	0.8
317.15118	6.6
318.12024	0.5
320.17636	0.7
322.15509	0.4
332.13815	1.2
332.17606	2.0
335.16309	0.7
336.13312	2.8
336.17062	1.4
338.18311	0.5
347.12659	3.7
348.13367	2.6
349.14047	0.9
350.14819	2.4
350.18695	0.7
361.13760	1.1
362.11230	2.4
362.15067	3.4
363.15701	3.6
364.16476	8.0
365.17355	2.3
376.12177	3.8
376.16888	6.5
378.17987	5.0
385.07156	0.6
390.14471	3.2
391.15042	3.8
392.15948	2.2
394.17599	4.1
396.19064	23.4
404.16129	1.4
410.79236	0.4
415.08694	0.4
422.17001	100.0
423.17386	1.7
440.18073	7.9
559.25397	33.3
577.26727	18.0
577.39368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88589	3.0
53.03952	3.0
54.81337	3.2
55.01849	5.2
55.05495	23.7
56.52687	2.8
57.07066	33.3
62.95248	2.8
65.68588	3.4
67.05502	33.3
69.07043	22.9
70.76690	3.4
71.08629	4.2
79.05467	34.5
81.03413	7.5
81.07042	45.0
83.04968	8.3
83.08604	6.7
85.10167	73.3
85.97266	3.0
88.23887	3.7
91.05473	37.0
93.07030	30.2
95.04941	15.8
95.08578	31.2
97.06493	5.0
105.07015	37.3
107.04931	22.1
107.08559	25.4
109.06512	7.6
109.10151	14.7
111.08090	6.3
113.09634	44.8
117.06989	14.8
118.76096	3.2
119.08547	7.9
121.06481	3.5
121.10088	16.6
123.08051	13.9
131.08513	22.5
133.10123	15.4
135.11655	5.7
137.09636	3.7
143.08569	6.5
144.73721	4.1
145.10072	7.6
147.11685	20.7
149.09593	26.1
151.11087	5.0
157.10225	5.0
161.13210	4.8
163.11194	8.4
165.12733	75.2
173.13231	4.2
175.11221	7.1
211.59435	3.8
247.16814	5.2
259.20602	3.8
265.17999	27.2
275.19907	4.9
277.21606	74.7
295.22656	100.0
321.48593	4.2
337.55069	4.1
415.20789	4.0
541.38336	8.6
559.39447	6.4
576.40546	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	576.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	19.3
55.05515	67.1
56.80280	3.4
57.03466	3.4
57.28922	3.3
67.05505	51.5
69.07062	28.7
71.08615	36.0
79.05483	83.9
81.03424	6.2
81.07043	99.7
83.04971	16.2
83.08610	46.3
91.05465	57.6
91.86669	4.1
92.64565	4.0
93.07030	54.6
95.04956	45.2
95.08580	34.7
97.10152	38.5
99.08046	13.9
105.07047	31.5
107.04945	20.7
107.08571	40.3
109.06506	6.9
109.10145	9.6
111.04435	9.5
111.08064	18.5
117.07018	23.0
119.08579	49.5
121.06522	21.7
121.10143	22.1
123.08031	16.2
125.09595	30.4
129.06969	5.6
130.27991	3.9
131.08554	27.1
133.10118	21.1
135.08044	8.1
135.11671	8.2
143.08524	9.3
145.10130	33.2
147.08061	20.7
147.11592	6.9
149.09615	32.9
151.11185	9.6
153.09079	7.8
153.12706	4.6
155.39809	4.8
157.10092	4.6
159.11702	9.6
161.09613	8.0
163.11198	21.0
189.11159	7.1
205.11996	4.2
223.13344	6.3
227.12695	4.8
237.55122	5.1
249.14799	6.9
249.18420	7.4
255.17502	4.4
267.19485	9.8
273.18469	28.9
275.19928	15.9
286.15302	4.7
288.21268	3.8
291.19489	100.0
293.21088	23.3
294.48746	5.2
307.08160	4.1
415.08780	4.5
532.47943	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	576.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38412	0.6
51.18912	0.7
57.03127	0.7
57.03425	0.7
59.26473	0.7
69.03404	1.8
71.04966	1.4
76.55745	0.9
79.05480	1.8
81.03401	1.2
81.07013	1.9
85.02874	5.7
86.24299	0.8
89.99511	0.8
91.05460	7.7
93.07021	3.3
94.04170	1.8
95.04944	1.9
103.05444	11.3
105.07027	3.6
107.04913	3.2
107.08572	0.8
108.54101	1.1
109.06512	1.4
109.10127	0.8
115.05456	1.1
117.07028	3.3
119.04916	4.8
119.08566	1.3
121.02937	0.8
121.06493	3.4
122.03629	6.9
127.03936	1.4
129.06973	1.2
131.04903	27.5
131.08650	1.5
133.02843	1.7
133.06435	2.0
133.10146	1.3
135.08060	3.3
137.05954	100.0
138.06314	1.7
141.07072	1.2
143.04895	1.0
143.08551	1.0
145.06453	1.9
147.04404	3.4
147.08102	1.3
149.05913	1.0
151.07507	14.0
153.01733	1.1
157.06433	1.0
159.07982	1.2
161.05946	10.7
161.09618	1.3
162.06479	3.6
163.06248	1.4
163.07523	32.1
167.08621	0.9
175.07455	10.3
177.09068	77.3
181.06445	1.2
187.07504	1.6
189.09068	4.2
190.09381	1.2
193.06482	1.2
195.08047	1.6
195.10121	1.6
203.10719	1.8
205.06584	1.0
207.08063	1.7
207.10114	1.9
213.09209	1.2
218.07217	1.0
219.08078	1.0
221.06017	0.9
221.09679	1.4
221.11671	8.4
223.07442	1.3
225.08929	0.9
227.10597	1.4
233.09581	3.7
237.09055	3.6
247.07576	1.2
253.08484	3.4
255.10318	1.1
262.13681	0.9
265.08566	5.8
267.10129	3.2
279.09943	1.3
283.09665	1.3
285.11115	3.4
287.12772	4.8
297.11139	5.1
299.12592	1.5
311.12650	4.6
325.14096	1.3
341.13531	1.6
351.15799	1.7
493.21875	4.5
540.86273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01313	0.1
51.02351	0.2
53.03906	0.1
54.74027	0.1
55.05510	0.2
55.57820	0.1
57.03411	0.2
67.05473	0.4
69.03397	0.6
70.06596	0.2
73.02898	0.2
73.77320	0.2
79.05461	0.7
81.03398	0.7
81.07030	0.4
85.02895	0.3
89.27458	0.2
91.05453	3.0
92.08741	0.2
93.07008	0.3
94.04148	0.8
95.04904	0.2
97.02873	0.3
100.11201	0.2
103.05437	4.0
105.07008	1.8
107.04931	1.4
109.06525	0.3
115.05420	0.2
119.04909	2.7
119.08540	0.2
121.06480	1.2
122.03610	3.6
129.06900	0.3
131.04897	9.5
133.02824	1.0
133.06490	1.4
135.07997	0.4
136.05145	0.3
137.05948	100.0
138.06308	0.7
143.08456	0.2
146.07214	0.2
147.04361	2.2
147.08009	0.7
149.05974	1.7
151.07509	3.6
153.05534	0.2
156.92409	0.2
159.08076	0.3
161.05937	9.4
161.09618	0.4
162.06754	0.9
163.07500	4.9
165.06940	1.0
174.06717	0.3
175.07509	1.4
177.05531	0.3
179.06972	0.9
179.08400	0.5
181.08562	4.4
182.07268	0.2
187.07486	1.8
189.09029	0.9
191.06996	0.3
191.08598	0.2
193.06459	1.0
194.07253	1.5
195.08018	0.2
196.08742	0.2
205.06436	0.9
205.08600	1.5
207.10135	0.2
209.09630	0.2
210.06717	0.4
211.07610	0.3
217.08598	1.1
219.07970	0.7
219.09975	0.2
221.05919	1.7
222.06688	1.1
223.07465	0.2
224.08295	0.2
225.09109	1.1
233.06053	0.2
235.07477	0.2
237.09026	1.3
238.06232	0.2
239.06987	0.3
239.10728	0.2
251.06764	0.2
251.10583	0.3
252.07883	0.2
253.08553	1.4
255.06374	0.2
265.08527	3.8
267.10092	1.2
269.07922	0.2
271.09586	0.3
279.10144	1.1
282.08533	0.3
285.11084	3.2
287.12720	0.3
291.02240	0.2
297.11118	5.1
299.12769	0.2
311.12683	2.8
313.14221	0.8
315.12195	2.8
323.12778	0.8
329.13596	0.4
341.13831	1.4
359.14746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98398	0.2
53.03904	0.2
54.81731	0.2
55.01858	0.4
57.95189	0.3
59.33098	0.2
63.20014	0.3
63.40073	0.2
69.03397	0.4
69.13148	0.2
73.73325	0.3
78.07945	0.3
79.05462	1.7
81.03426	0.3
81.07036	0.4
85.02898	0.5
91.04955	0.4
91.05467	6.9
93.07036	0.5
93.49529	0.2
94.03616	0.3
94.04153	1.9
95.04921	1.0
101.69771	0.3
103.05451	5.5
105.07010	3.1
107.04965	1.8
108.77255	0.3
109.06505	1.2
115.05426	1.3
116.32182	0.3
117.06996	1.3
119.04924	4.9
119.08533	0.5
121.06487	1.7
122.03623	7.0
123.04431	0.6
123.08052	0.5
128.06181	1.2
129.06995	2.6
131.04916	10.2
131.08540	1.2
132.05687	0.4
133.02826	1.4
133.06474	3.4
135.04352	0.6
135.08044	2.1
136.05142	0.4
137.05957	100.0
138.06314	0.5
141.06937	0.6
143.04945	0.6
143.08530	1.5
144.05727	0.4
145.06490	1.7
147.04396	3.9
147.08035	1.1
149.06000	2.2
151.03842	0.5
151.07516	11.7
151.91695	0.3
157.06447	1.8
158.07343	0.5
159.08040	1.6
160.05156	1.2
161.05948	9.5
162.06709	1.2
163.07520	11.3
165.07002	1.1
165.09047	0.4
166.07709	0.3
167.08543	1.2
171.07990	0.6
172.05167	0.4
174.06717	1.7
175.07506	13.1
177.05458	0.3
177.09033	3.2
178.07770	0.4
179.07060	0.5
179.08533	1.0
181.06421	0.6
182.07149	0.6
183.08092	0.3
184.08624	0.3
185.05826	0.3
187.07512	4.1
188.08279	0.4
189.09071	4.6
190.07764	0.3
190.09418	0.3
193.06450	0.5
194.07153	0.4
195.08020	2.5
196.08815	0.3
197.06020	0.3
197.09651	0.3
197.13562	0.3
198.06740	0.6
199.07518	0.3
201.09113	2.4
202.07651	0.3
203.08574	1.2
203.10696	1.6
205.06523	1.1
205.10019	0.5
206.07191	0.4
207.08054	1.0
208.54974	0.3
209.05991	0.3
209.09618	0.6
210.06746	0.6
211.07559	0.5
212.08252	1.0
213.09111	2.0
215.08597	0.4
215.10527	0.3
218.07236	2.1
219.08037	0.5
221.05928	1.5
221.09569	0.6
221.11713	0.5
222.06746	1.0
223.07524	1.7
224.08336	0.6
225.09091	1.7
227.07147	0.5
227.10661	3.5
232.08710	0.4
233.06038	0.5
233.09569	4.4
233.11725	0.5
234.10283	0.4
235.07584	0.6
237.09082	0.6
239.07014	0.4
239.10663	1.2
245.09442	0.3
247.07484	0.6
249.09050	1.8
250.09839	0.6
251.10561	0.6
253.08620	1.5
255.10138	2.2
261.09088	3.1
262.09854	0.3
263.10574	0.5
265.08511	1.9
265.12173	1.3
267.10083	2.3
275.10446	0.4
278.09213	0.6
279.10153	0.3
281.11893	0.3
283.13171	0.4
285.11200	2.2
287.12723	5.6
291.10074	0.3
293.11624	2.3
297.11215	1.6
299.12717	1.4
305.11783	0.3
311.12775	3.8
313.14197	0.5
315.42484	0.3
325.14212	1.5
329.13831	1.7
337.14319	0.5
341.51483	0.3
349.14224	0.6
351.15836	5.0
363.15866	1.5
369.16949	3.1
381.16916	2.2
415.19131	0.5
443.18365	0.6
475.21176	3.7
487.20868	0.4
493.22092	4.4
505.22092	1.3
584.55804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
55.01866	2.9
67.05521	0.2
69.03383	0.2
69.07058	1.8
70.06556	0.3
73.02921	0.2
79.05470	0.2
91.05468	0.4
94.06568	1.2
95.04968	0.2
96.04433	0.2
97.06512	0.3
103.05429	0.2
105.06987	0.2
108.04459	0.9
112.07560	0.6
118.06551	0.2
120.08097	0.2
121.08835	0.2
122.06018	1.3
124.07553	0.3
131.04938	0.2
131.21445	0.1
137.05975	1.8
138.06297	0.2
138.09134	1.9
140.07030	3.4
146.05946	0.2
147.04378	0.3
147.06830	0.3
147.08073	0.2
148.07553	4.6
150.05452	0.2
160.07520	0.3
165.09012	0.2
168.06520	3.9
174.05492	0.9
174.07791	0.3
174.09132	0.2
177.68140	0.2
182.09627	0.2
185.07103	0.2
197.10573	0.2
198.09184	1.2
198.12718	0.2
199.08636	4.4
199.12271	0.7
200.09319	0.3
201.10239	0.7
202.08614	0.2
203.09399	0.3
210.09114	0.3
212.09236	0.4
213.10184	1.7
214.10963	0.9
215.11780	2.5
224.10703	0.8
225.10162	4.8
226.08553	1.5
226.10907	0.7
227.08165	1.7
227.11728	4.5
229.09708	0.2
229.13348	0.7
238.08603	0.3
239.11861	0.3
240.08836	0.2
241.09637	1.0
241.13338	1.7
242.10565	1.3
243.11195	2.2
245.09120	0.2
245.12793	1.0
251.12030	0.2
252.10081	0.8
253.13297	0.2
254.10339	0.3
255.11221	18.2
259.14310	0.7
269.12781	5.2
270.10962	0.2
271.14398	0.3
281.12619	0.3
287.13855	2.6
297.12277	6.9
298.13205	0.3
299.13806	2.4
314.11734	0.2
315.13327	100.0
316.14056	4.2
338.15054	0.3
369.55917	0.2
380.19595	0.3
382.21039	2.0
406.17435	0.3
408.19153	0.5
412.22003	0.8
426.20059	0.2
438.19910	0.3
545.27539	0.2
575.28650	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	575.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.38880	1.8
54.28245	1.8
55.01616	1.8
55.01860	15.3
55.05511	27.6
56.05017	3.8
57.03427	3.2
58.99572	11.9
59.04987	2.5
67.05489	24.6
69.03407	2.6
69.07057	30.1
69.30698	2.4
70.06566	1.9
71.04986	5.3
74.00673	4.3
76.02217	28.8
79.05470	30.1
80.04981	4.1
81.03400	10.8
81.06596	3.1
81.07037	54.8
83.04971	13.8
83.08591	19.1
84.04029	3.9
84.04492	76.7
85.01115	2.3
85.02892	4.3
85.06458	3.0
86.00636	3.5
86.99041	13.3
88.03988	3.5
91.05448	28.0
93.07017	23.5
95.04933	14.8
95.08575	24.3
97.01047	2.8
97.02863	5.0
97.06525	5.4
97.10150	14.8
99.08080	2.6
100.11162	2.1
101.01371	2.5
103.05429	3.4
105.00060	14.9
105.07025	24.5
107.04925	11.6
107.08571	25.4
109.02838	3.3
109.06512	9.0
109.10159	5.1
111.02654	3.6
111.04433	5.6
111.08020	4.5
113.00546	10.0
113.05956	4.2
114.03725	2.4
117.07017	11.0
119.04947	3.6
119.08579	20.1
121.06485	10.5
121.10104	10.1
122.02705	69.2
123.04405	3.9
123.08049	9.9
124.07542	3.9
125.09618	11.5
126.03702	12.4
129.06931	4.2
130.05006	26.2
131.04895	3.5
131.08490	7.8
133.06430	4.5
133.10100	14.9
135.04411	4.2
135.08031	14.9
135.11717	5.2
137.05960	29.9
138.06303	4.5
141.07083	2.5
142.03166	22.7
143.08546	3.4
145.06485	4.2
145.10059	5.6
147.04358	4.3
147.08052	2.7
149.04233	2.4
149.09605	2.7
151.03874	3.7
151.05785	3.7
151.07480	9.0
153.01799	7.9
153.12700	19.6
159.07985	4.2
161.05954	4.1
161.09555	14.8
163.07556	3.7
163.11130	4.7
171.02888	3.4
172.04330	2.9
173.09552	3.9
175.07588	2.7
175.11058	2.7
177.09079	4.5
181.12198	9.4
185.03745	2.6
188.03746	11.0
189.11163	3.0
193.06818	5.7
193.12207	16.6
199.08755	3.2
199.87503	2.9
217.08163	3.1
219.08162	3.1
225.09537	2.4
227.12793	19.4
233.05769	2.7
234.04213	10.0
236.10934	4.5
245.12794	28.0
251.06898	22.9
254.12016	19.8
255.11380	16.4
271.16855	5.3
273.07632	3.6
278.11786	2.8
289.17984	28.3
296.46564	2.3
297.12027	2.3
300.12570	32.0
303.14218	3.6
307.19025	5.3
315.13351	100.0
316.13977	3.5
321.15158	20.6
338.14798	9.9
346.18250	3.7
347.16370	3.3
364.19415	4.9
380.19412	2.5
382.21182	49.3
392.19223	3.7
406.12595	2.4
406.17426	13.6
408.18942	14.3
410.19919	41.7
412.22037	13.0
428.20874	75.1
438.19885	5.5
446.22006	12.4
521.22443	3.2
539.23969	22.1
543.55518	2.3
545.27405	10.5
557.25031	5.5
575.26593	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	575.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
63.71271	0.1
67.05452	0.1
68.05003	0.1
68.68314	0.1
69.07052	1.9
70.06538	0.1
73.02857	0.3
80.04949	0.1
91.05442	0.1
94.06537	0.8
95.04917	0.4
96.04433	0.4
97.06456	0.4
97.25539	0.1
108.04461	0.6
112.07597	0.7
119.07267	0.1
119.36214	0.1
120.08041	0.4
122.06001	1.2
122.09573	0.1
123.04322	0.1
124.07513	0.3
132.08035	0.3
134.05896	0.1
136.07547	0.1
137.05933	0.1
138.09111	1.2
140.07034	3.8
141.05428	0.1
146.05937	0.5
146.08365	0.1
147.06741	0.5
147.10567	0.1
148.07545	5.0
150.05399	0.1
158.09641	0.1
160.07536	0.4
168.06526	3.9
168.07950	0.2
170.09601	0.4
171.09143	0.1
172.07553	0.1
173.07059	0.3
174.05472	0.9
174.07825	0.4
174.09082	0.3
174.76898	0.1
175.08643	0.3
181.08748	0.1
182.08255	0.1
183.10437	0.1
187.08617	0.2
188.07066	0.1
188.09261	0.1
196.07480	0.1
196.11183	0.2
197.08336	0.1
197.10657	0.3
198.09143	1.2
198.12683	0.3
199.06731	0.1
199.08595	4.1
199.12363	0.5
200.09291	0.3
200.10883	0.1
201.10173	0.5
202.08614	0.1
203.09386	0.5
209.10683	0.1
210.09279	0.5
211.08435	0.2
211.10059	0.1
212.09161	0.8
213.10141	1.7
214.10843	1.0
215.11761	2.1
216.12347	0.1
223.12093	0.1
224.10773	0.6
225.10172	4.8
226.08771	1.5
226.10875	0.5
226.12564	0.2
227.08154	1.9
227.11711	3.9
228.10199	0.1
228.12375	0.3
229.09676	0.4
229.13254	0.3
237.10255	0.1
238.08423	0.2
239.11723	0.5
240.08856	0.3
241.09659	1.1
241.13307	1.2
242.10306	1.3
243.11212	2.1
243.15005	0.2
245.12828	0.2
251.11772	0.5
251.14178	0.1
252.10133	1.0
253.13242	0.4
254.10005	0.2
254.12074	0.2
255.11215	19.4
256.11801	0.2
257.12805	0.3
259.14313	0.4
269.12778	5.4
270.11313	0.3
271.14304	0.3
273.12292	0.1
279.11298	0.4
280.09625	0.1
281.12701	0.5
281.72675	0.1
287.13840	1.8
297.12262	6.8
298.13281	0.5
299.13834	2.9
300.11026	0.1
314.12204	0.1
315.13318	100.0
316.13998	3.8
317.14761	0.1
380.19312	0.1
382.21051	0.4
408.19751	0.1
438.20288	0.1
545.27588	0.1
575.28546	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	574.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.3
55.01857	14.2
55.05507	64.4
57.03437	2.2
57.07049	2.2
64.37939	1.9
67.05490	56.4
69.07051	41.7
71.04971	3.1
79.05049	3.0
79.05477	46.8
81.03391	16.7
81.07040	66.5
83.04966	18.8
83.08607	48.5
85.06525	2.3
87.04445	14.9
91.05455	46.4
92.08673	10.0
93.06482	3.7
93.07018	60.2
95.04941	60.6
95.08578	41.4
97.06516	16.6
97.10120	4.5
102.84186	2.3
105.07013	61.2
107.04923	26.3
107.08581	33.6
109.06490	12.5
109.10133	18.5
111.08065	15.7
117.07008	26.4
119.08558	49.9
120.08080	2.7
121.06477	17.7
121.10125	30.6
123.08042	12.2
123.11612	2.4
129.06956	5.1
131.08514	36.1
133.10110	29.8
135.08015	10.8
135.11662	19.0
137.09579	4.0
141.06909	2.6
143.08545	5.6
145.06473	4.3
145.10083	49.1
147.08029	5.6
147.11646	18.9
149.09598	47.1
149.13304	3.5
151.11143	9.7
155.08545	4.3
157.10129	4.9
159.11671	17.1
161.09476	3.4
161.13257	5.2
163.11163	67.0
165.12723	3.9
169.10132	5.1
171.11647	4.4
173.09601	14.6
173.13226	10.0
175.11174	2.8
177.12753	4.7
179.10686	4.7
180.96506	2.3
183.11661	4.2
187.11145	4.9
191.10616	9.0
201.16396	3.5
211.14798	2.6
219.17398	11.5
223.13232	10.2
229.15804	10.1
229.19403	3.7
239.18015	3.7
247.16899	20.0
247.20535	2.4
249.85829	2.2
257.18906	12.5
265.17926	71.2
271.47952	2.2
275.20035	100.0
290.89902	2.4
293.21048	83.8
326.04013	2.2
374.19244	2.6
539.37347	2.8
549.03101	2.7
557.37854	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	574.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67104	0.6
51.90160	0.7
53.03946	1.0
55.01863	1.4
55.05505	10.4
57.03428	7.3
57.07069	76.7
65.03898	0.6
67.05494	20.3
69.03399	1.5
69.07054	11.9
71.04976	1.1
71.08617	57.6
73.02895	1.5
75.04459	2.9
79.05444	1.0
81.03377	1.5
81.07040	27.9
83.08607	19.2
83.10267	0.7
85.02887	3.0
85.06532	0.8
85.10167	33.5
89.06007	1.0
93.06998	1.3
95.08585	44.3
97.02788	0.9
97.06544	1.0
97.10164	10.4
98.84199	0.7
99.04422	1.2
99.11670	1.1
103.07584	0.9
105.07031	0.7
107.08577	1.0
109.02883	5.9
109.10150	19.4
110.03626	3.7
111.04423	2.7
123.11712	6.8
125.13274	1.0
127.03920	3.2
137.13268	1.3
144.57051	0.7
163.43576	0.7
191.00035	1.7
239.23662	25.0
257.24582	5.6
290.42639	0.8
313.27310	100.0
314.27692	1.1
331.28415	19.9
465.24765	0.9
539.28448	6.6
574.33972	1.1
592.12183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01857	2.9
55.05508	5.0
56.05003	0.6
56.96565	0.4
57.07061	2.0
58.99553	1.1
67.05495	9.1
69.03412	0.6
69.07050	4.2
70.06602	0.6
71.04951	0.8
71.08607	1.0
73.01098	0.6
74.00652	4.8
76.02203	1.2
76.03978	0.4
79.05487	8.0
80.04985	2.6
81.03393	2.3
81.05790	0.7
81.07042	11.6
83.04951	1.1
83.06079	2.5
83.08591	2.6
83.22430	0.6
84.04494	8.6
85.01128	0.6
85.06524	0.7
85.10162	2.7
86.00648	2.2
86.99058	0.9
88.02201	1.1
88.04510	0.5
91.05472	8.0
93.07028	11.2
94.06508	0.8
95.04945	2.0
95.08591	7.6
97.01114	0.9
97.06512	2.3
99.01418	2.1
99.05566	0.8
100.02206	4.1
103.05452	0.8
105.07014	4.4
107.08598	5.6
109.10139	2.7
111.02649	1.0
111.08072	3.1
112.02199	4.4
112.56300	0.5
113.00569	2.1
113.09597	3.1
114.03715	7.4
116.01659	6.6
117.06990	0.8
119.08570	8.8
121.10130	10.7
124.11192	1.0
126.03664	1.1
128.74234	0.5
129.06609	2.5
130.04984	2.1
131.04918	0.7
131.08537	0.9
133.10106	5.5
135.08032	0.8
135.11674	5.8
136.11150	0.8
137.05966	2.7
137.09598	3.0
137.11993	0.8
139.03210	0.7
144.01106	1.9
144.05727	0.5
145.10120	5.4
147.04283	0.7
147.11685	2.3
151.11174	1.1
161.09697	0.5
161.13263	0.8
162.02142	2.0
163.11134	7.2
164.14307	0.9
165.09103	0.6
165.12726	3.3
168.08461	0.8
169.04346	0.8
169.09209	2.4
170.09964	100.0
175.11073	0.7
179.04773	0.6
181.05988	0.9
181.12196	1.2
182.10092	0.6
183.08356	0.6
185.03760	2.8
187.05330	0.5
203.17908	0.6
209.05406	0.5
211.10822	1.0
212.14682	0.5
215.04819	3.6
216.05576	4.5
221.18965	3.1
230.51721	0.5
231.04333	4.7
249.18440	3.2
259.54755	0.6
266.21133	1.1
267.19504	2.4
271.10922	0.8
272.11856	20.9
273.12576	3.2
278.97961	0.6
281.15616	0.7
289.16284	0.6
296.20380	0.6
298.18301	2.5
306.18808	2.4
307.17230	2.6
308.09177	0.8
324.19843	9.2
325.18304	2.2
327.30548	0.6
342.20938	10.4
381.22018	1.0
414.92905	0.6
427.22543	85.5
428.22684	2.0
499.24420	3.2
556.26587	2.6
574.28070	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	574.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05492	0.8
55.74600	0.3
57.03441	4.8
59.04994	0.4
61.02913	0.8
65.56033	0.2
69.03431	3.3
69.07059	2.2
70.06577	0.6
71.01328	0.6
71.04981	21.4
72.08128	0.5
73.02898	1.7
75.04477	2.6
79.05492	0.6
79.60260	0.3
81.03397	0.7
81.07017	0.4
83.04967	5.2
83.08599	0.3
84.08116	0.3
85.02892	39.3
85.06550	0.4
86.09685	0.6
87.04449	1.3
88.03952	0.3
91.05450	1.4
92.08698	0.6
93.07023	0.7
95.04954	0.6
95.08574	0.7
97.02879	4.1
99.04443	1.3
103.03943	0.5
103.05453	0.6
105.07021	0.7
107.04971	0.6
107.08586	0.5
109.02864	0.8
109.06529	0.4
111.04395	2.4
111.08086	0.4
119.04932	1.7
121.06467	0.4
122.03619	2.1
123.08054	0.5
127.03904	4.2
129.05455	9.7
131.04945	1.6
137.05962	100.0
138.06398	1.2
145.04935	3.1
147.04419	1.4
147.06494	6.4
149.06006	0.8
151.07481	0.8
153.05429	0.6
157.81525	0.3
161.05992	0.8
163.06161	1.0
163.07521	3.0
164.65364	0.3
174.06773	0.4
179.06952	0.6
181.08560	5.8
186.14867	0.4
189.09096	1.2
195.08069	0.4
225.09041	0.5
237.07303	0.3
255.08604	0.6
265.87805	0.4
272.72437	0.4
273.09711	1.5
287.29245	0.3
297.11017	2.5
309.11765	3.9
315.12082	0.3
324.23798	0.4
359.14771	0.4
377.15952	0.4
415.59445	0.3
540.88641	0.4
574.24768	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24078	0.3
53.00294	0.4
53.03938	1.7
54.34252	0.3
54.43676	0.3
55.01867	1.6
55.05508	9.9
56.97747	0.3
57.03427	9.4
59.04991	0.9
60.04538	0.3
61.02910	5.0
64.33370	0.4
66.44620	0.3
67.05503	0.5
69.03415	13.6
69.07059	3.4
71.01339	1.5
71.04978	40.6
72.08147	0.7
73.02899	3.9
74.06077	0.8
75.04463	5.3
77.03837	0.4
81.03403	5.8
81.07031	0.9
83.04966	88.0
83.11604	0.5
84.04475	0.6
85.02890	100.0
87.04478	2.6
91.03921	2.0
91.05467	0.5
93.07033	0.4
95.04926	0.9
95.08560	0.5
97.02872	21.7
99.04430	6.5
101.05989	0.8
103.03926	0.5
103.05450	0.5
107.08585	0.7
109.02876	4.9
109.06455	0.5
111.04424	31.5
111.08082	1.0
114.21465	0.4
115.03860	0.5
117.07039	0.4
118.49120	0.3
121.06485	0.8
123.04388	0.4
127.03903	14.4
129.05452	28.0
129.06967	1.7
131.04927	2.9
135.07991	0.5
137.04990	0.5
137.05948	7.1
145.04944	10.0
146.08109	0.9
147.04439	0.4
147.06500	13.3
147.07678	0.7
149.05894	0.5
151.03893	0.5
153.09038	0.5
163.05930	2.3
163.07452	3.2
165.05414	0.4
175.07492	5.5
177.09001	0.6
189.09018	0.7
191.06895	0.7
191.08485	0.5
197.11748	0.8
211.07388	0.5
215.12698	0.8
219.08023	0.6
227.09077	0.4
235.09636	3.9
237.07428	5.8
239.06995	0.5
247.07521	0.6
251.10573	0.5
253.08350	0.7
255.08632	5.5
265.08463	3.4
267.09912	0.6
271.09329	1.7
273.09665	14.3
279.10019	0.6
285.11111	0.8
291.10211	0.9
293.56274	0.4
297.11160	5.3
309.11737	10.5
311.12399	1.7
323.12299	1.3
325.14175	0.5
327.12662	0.5
333.12668	0.4
341.13452	2.6
359.14771	5.4
377.15454	0.8
538.47906	0.4
574.24048	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	574.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.1
57.03416	0.2
57.33019	0.1
61.02905	0.2
69.03409	0.3
70.06566	0.6
72.14256	0.1
81.03381	0.3
81.79414	0.1
84.08095	0.2
85.02876	1.8
86.09676	0.2
88.61356	0.1
91.05468	0.8
94.04150	0.7
95.08576	0.4
97.02850	0.6
99.04382	0.1
103.05446	0.2
109.06323	0.2
116.07068	0.7
119.04920	0.8
122.03651	2.1
127.03868	0.2
131.04889	1.2
137.05957	100.0
138.06293	0.7
142.50490	0.1
147.04366	0.8
151.07538	0.4
161.06038	0.2
163.07516	1.6
181.08549	7.7
182.08569	0.1
215.12679	0.2
241.51389	0.2
279.41959	0.2
357.15143	0.2
573.24640	0.5
574.26611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
65.64297	1.2
69.04638	1.2
74.04971	1.2
75.63581	1.1
79.05490	2.2
81.07052	1.4
91.05453	23.2
92.96782	1.3
93.07006	1.6
95.04937	7.2
103.05427	7.4
105.06998	8.6
107.04913	9.4
107.08453	1.4
109.06545	1.5
111.04417	1.3
115.05419	3.4
117.06974	2.4
119.04905	22.6
121.06480	7.1
122.03634	5.6
123.04410	2.3
123.08049	1.3
128.06161	2.7
129.06956	23.4
131.04915	11.8
131.08502	10.1
133.02823	5.4
133.06458	5.6
135.04410	2.7
135.08058	2.3
137.05946	100.0
141.06961	8.7
144.05690	2.1
145.06464	6.2
146.07257	2.3
147.04376	18.7
147.08023	2.2
148.05161	6.5
149.05942	10.3
151.03853	3.0
151.07513	40.1
153.06969	1.9
157.06459	16.7
158.07271	2.4
159.08009	9.2
160.05109	1.5
161.05940	90.6
161.09581	17.6
162.06673	7.5
162.42403	1.2
163.07549	7.9
165.06960	2.6
167.07089	1.4
167.08517	5.5
169.06450	5.2
170.07198	1.6
173.05872	1.7
174.06725	26.1
175.07489	28.1
177.05486	1.7
177.09038	2.6
178.07703	1.7
179.06998	2.7
181.06462	2.6
182.07176	2.5
187.07495	2.7
188.08270	1.8
189.09047	64.9
190.07692	1.8
191.06990	2.3
191.08545	1.9
191.10593	2.5
193.06474	5.6
194.07201	1.6
195.08044	11.8
195.10139	6.8
201.09061	8.7
205.06415	3.2
207.08176	4.0
207.10054	32.7
209.05986	2.1
210.06714	4.7
211.07458	5.3
212.08231	1.9
219.08026	14.4
219.10074	80.3
221.05908	6.6
221.09532	2.7
222.06712	6.3
223.07509	6.9
224.08360	2.5
225.09007	10.1
227.07025	1.8
227.10617	6.7
229.12968	1.2
233.79068	1.6
234.06624	1.4
235.07579	5.1
236.08289	2.4
237.09029	10.0
239.07028	7.6
239.10555	1.8
240.07851	3.3
241.08443	4.6
247.07468	5.6
248.08212	3.3
249.09108	3.1
251.07068	6.6
251.10541	6.6
253.08496	18.2
253.12164	2.0
255.06517	5.9
255.10094	6.1
264.07822	1.8
265.08514	16.0
267.10114	3.1
268.07175	1.4
269.07889	1.7
269.11713	2.8
270.08792	6.2
277.08521	1.6
279.10059	11.1
280.11014	1.4
281.08142	2.6
281.11389	1.6
283.09634	9.9
283.12692	1.8
285.11108	8.2
287.12762	3.2
293.11826	1.8
295.09631	3.2
296.10416	7.8
297.11099	23.7
298.11832	1.6
299.12747	2.7
305.11569	1.8
309.11246	2.9
311.12759	8.9
313.14310	6.6
315.12299	2.0
317.13797	2.2
321.11215	1.7
323.12927	1.9
329.13788	29.9
331.15417	11.3
337.14395	7.4
341.13748	2.6
355.15399	19.4
367.15225	5.1
461.19351	1.7
479.20721	9.5
491.20160	2.1
509.21439	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	574.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
59.01190	1.2
59.23635	1.2
63.70707	1.4
79.05485	5.0
81.07023	1.8
91.05463	15.0
93.69568	1.4
95.04944	8.2
97.06484	2.1
103.05450	8.3
104.05447	1.2
105.06996	5.9
107.04943	16.3
115.05415	2.6
117.07024	3.1
119.04913	17.2
121.06498	8.3
122.03632	8.0
128.06235	1.7
129.06958	15.7
131.04874	13.5
131.08546	8.2
133.02817	2.9
133.06462	2.7
135.08043	3.1
137.05960	100.0
141.06972	6.9
144.05659	1.8
145.06522	2.7
146.07211	2.0
147.04404	11.9
147.08083	1.6
148.05191	3.0
149.05971	7.4
151.03900	6.6
151.07513	34.0
157.06474	11.0
159.08038	6.0
160.05240	3.2
160.08807	1.8
161.05948	84.3
161.09558	19.9
162.06725	5.0
163.07544	13.5
165.06972	5.3
165.09007	1.8
167.08575	3.3
169.06516	2.4
174.06737	13.6
175.07507	21.6
177.09085	2.6
178.07741	1.9
181.06427	2.6
183.08199	1.7
187.07507	3.0
189.09056	53.7
191.06946	2.4
191.08551	5.1
193.06546	5.5
193.10201	2.2
194.07230	1.8
195.08087	7.6
195.10176	3.3
196.08740	1.6
197.09669	1.3
201.09090	7.2
205.06464	6.9
206.07060	1.3
207.08189	3.7
207.10112	35.9
209.09624	1.8
210.06720	2.0
211.07541	2.6
213.09047	1.8
219.08026	10.5
219.10086	53.5
219.12115	2.8
221.05981	7.8
221.09572	3.2
222.06831	1.8
223.07542	6.2
225.09068	8.1
227.07016	2.7
227.10667	7.1
234.06660	1.9
235.07494	5.6
236.08249	2.2
237.09035	5.1
238.06152	1.8
239.06929	2.8
240.07797	1.8
241.08444	1.9
247.07596	6.3
248.08220	2.1
249.09026	6.1
251.07011	5.4
251.10580	3.1
252.07684	1.7
253.08501	16.0
253.12201	1.7
255.06409	2.1
255.10141	6.7
261.09076	1.8
263.07077	2.3
264.07697	2.1
265.08539	12.1
265.12448	1.3
267.10168	6.1
269.08121	1.8
269.11737	1.8
270.08807	1.9
273.18585	1.6
277.08606	3.2
278.09207	1.6
279.10068	9.3
280.10983	2.1
281.08008	1.9
281.11685	2.0
283.09656	6.8
285.11179	7.8
287.12762	6.8
289.08588	2.3
295.09827	3.2
296.10510	6.5
297.11191	21.1
299.12509	1.7
307.09644	1.8
309.11273	2.5
311.12881	9.2
313.14429	2.3
314.11908	1.9
315.12161	1.5
322.12222	1.6
323.12656	3.0
327.12256	2.7
329.13794	13.8
331.15363	16.9
337.14227	2.8
340.12939	2.3
341.13785	5.7
349.14407	1.7
355.15228	12.5
367.15216	2.4
396.42880	1.4
461.19312	1.9
479.20514	13.1
491.20306	6.2
509.21219	2.5
604.82666	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40521	0.3
55.01861	0.6
57.03429	3.6
61.02931	0.5
64.95294	0.3
65.03922	0.3
69.03405	1.5
75.04458	3.2
81.03410	0.4
81.07003	0.4
85.02885	4.1
91.05466	3.1
93.07069	0.4
94.04156	1.4
95.04932	1.6
97.02852	1.9
103.05450	0.6
105.07005	0.7
107.04953	0.6
109.06512	0.4
110.03603	0.7
111.04427	1.7
116.07077	0.6
119.04920	2.1
121.06479	6.2
122.03621	4.8
123.04388	1.5
125.05972	7.7
131.04877	1.9
133.02834	0.5
134.03635	0.7
135.20540	0.4
137.05952	100.0
138.06305	2.1
141.10146	0.4
147.04431	0.9
149.04767	0.6
149.05952	14.5
151.07506	10.8
151.08649	0.7
153.06963	10.6
157.06406	0.5
161.05901	0.7
163.07486	2.9
165.06966	1.5
167.08507	1.9
169.06462	1.7
171.08078	0.4
175.07486	1.8
179.07019	0.9
181.06453	19.7
182.07277	0.7
183.08012	1.7
185.09557	0.5
187.07471	0.8
193.06430	1.6
195.08018	4.4
195.36620	0.4
197.06017	3.1
198.06734	2.9
199.09537	0.6
201.09134	0.4
205.08623	0.5
207.04352	2.9
209.05917	7.3
210.06621	0.8
211.07501	6.1
211.09622	2.6
213.09067	16.7
215.07016	0.5
221.05949	1.9
223.07468	1.7
223.09566	0.4
225.05406	2.4
225.09053	1.8
226.06190	0.7
228.07681	0.4
229.08569	2.0
239.07008	4.5
241.08517	19.2
242.09264	1.5
243.06363	0.5
251.10622	0.4
253.08496	1.9
255.10152	1.6
257.08105	0.9
258.08807	44.6
269.08081	0.5
270.08774	0.7
271.09595	8.2
272.10358	72.4
273.11124	32.0
279.10147	0.5
284.10303	0.4
285.11087	2.4
311.12592	2.4
314.11411	1.9
315.12320	0.5
329.13724	0.7
347.14816	63.0
348.15024	0.6
359.14841	0.8
574.34406	0.5
585.98248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26767	0.4
53.03936	0.5
54.38585	0.3
55.01859	0.7
57.03429	6.4
61.02914	0.7
65.03934	0.7
69.03423	0.9
70.06585	0.9
71.04987	0.4
75.04459	2.9
79.05478	0.5
81.42738	0.5
81.49815	0.4
85.02917	4.9
86.48270	0.4
91.05476	2.6
94.04164	0.7
95.04951	2.4
97.02859	1.9
99.04416	0.6
103.05418	0.5
107.04942	1.6
109.02886	0.6
110.03658	2.0
111.04418	1.9
119.04909	2.3
121.06490	8.6
122.03642	5.2
123.04402	1.6
125.05952	4.5
131.04930	2.6
134.03633	1.0
137.05960	100.0
138.06363	0.6
145.06462	0.6
147.04402	0.8
149.05968	18.6
150.06680	0.4
151.03963	0.6
151.07535	12.5
152.06242	0.7
153.07001	10.7
161.05934	1.1
163.07520	3.6
165.06987	3.2
167.07187	0.4
167.08554	2.4
168.05606	0.4
169.06477	2.0
170.07211	0.5
175.07523	2.2
177.09045	0.8
179.07005	0.9
180.05792	0.4
181.06448	25.4
182.07249	1.0
183.08055	1.6
185.09595	0.7
187.07559	0.6
193.06493	0.7
195.08009	4.8
197.05946	4.6
198.06648	3.6
205.08554	1.7
207.04387	4.3
209.05939	8.4
210.06651	0.7
211.07530	7.6
211.09647	2.2
212.08311	0.8
213.07060	0.8
213.09088	24.1
219.08125	0.4
223.07532	2.8
225.05418	3.4
225.09070	1.0
226.06178	1.8
227.10704	0.9
229.08521	2.5
237.09053	0.5
239.06972	7.6
240.07892	0.5
241.08546	21.4
242.09424	1.1
243.06606	0.5
248.20279	0.4
253.08551	1.7
255.06705	0.5
255.10103	2.7
257.08038	2.3
258.08829	54.4
269.08041	0.5
270.08655	0.6
271.09628	10.1
272.10379	89.6
273.11163	39.5
279.10144	1.0
285.11197	1.8
297.11017	1.6
305.51041	0.5
311.12674	2.6
314.11386	1.8
315.12177	0.6
329.13687	2.5
341.13867	0.5
347.14832	80.1
359.14816	2.1
410.51694	0.5
480.39008	0.5
530.67474	0.4
537.45190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3393
Annotation	13beta-Hydroxymilbemycin D
Peak:m/z	Relative Intensity
55.05508	0.9
57.03427	0.9
67.05491	3.9
69.07055	1.7
79.05483	3.7
81.07052	5.7
82.87952	0.8
91.05471	1.9
93.07029	4.8
95.08597	2.1
97.06502	1.0
107.08609	3.7
109.10103	1.5
121.10146	1.4
135.11823	1.0
135.36826	0.9
137.05962	2.0
145.91861	0.9
235.13098	2.1
291.15344	1.2
305.17188	10.2
325.82675	0.9
361.19846	5.0
467.35135	1.1
527.52209	1.0
573.33875	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	573.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	4.5
53.03938	3.6
53.88828	2.4
55.05505	27.1
57.03431	3.4
57.07064	24.4
65.21835	2.2
67.05494	50.9
69.07056	26.6
71.08610	2.9
79.05478	36.6
81.03403	14.7
81.07039	60.6
83.04967	15.9
83.08615	14.4
85.06513	3.1
85.10172	49.1
91.05457	35.0
92.09412	4.9
93.07018	62.3
93.28198	3.1
95.04940	14.1
95.08577	43.3
97.06494	4.5
97.10163	4.7
105.07017	28.5
107.04948	14.0
107.08573	30.2
109.10149	17.4
113.09613	34.8
119.08572	17.0
121.10126	17.6
123.11676	4.0
129.06947	5.5
131.08539	14.8
133.10094	15.8
135.11639	12.0
145.10107	12.5
147.11708	14.4
149.09634	11.8
157.10089	2.9
159.11714	4.5
161.13228	5.8
165.12703	60.9
171.11646	3.6
175.11037	4.8
175.14870	3.6
259.20682	4.5
261.22192	5.4
277.21597	77.4
279.23068	4.6
295.22635	100.0
304.53116	3.0
343.22787	2.8
344.36292	3.2
425.34152	5.6
487.62103	3.2
555.44281	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	572.488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	25.8
57.03428	4.7
57.07065	5.6
67.05494	27.9
68.02626	3.6
69.07053	19.5
71.31939	3.2
76.02393	3.5
79.05477	18.8
81.07043	48.2
83.04996	4.1
83.08602	20.5
85.06522	5.9
89.05980	6.6
91.05457	5.6
92.09334	10.7
93.07035	23.2
95.04990	4.1
95.08600	59.6
97.06506	3.9
97.10107	4.8
105.07025	5.0
107.08594	9.3
109.10160	33.0
119.08565	5.3
121.10141	19.4
131.08536	9.4
133.10107	9.1
135.11711	8.5
161.95570	4.4
216.92769	4.8
233.18980	10.1
250.28915	4.0
251.20023	68.3
269.21094	72.1
400.85358	4.1
487.41357	31.2
505.42444	58.9
523.43488	100.0
573.37445	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	572.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54403	0.3
53.03932	0.8
55.01854	1.2
57.03429	2.0
61.02911	1.3
69.03413	6.7
69.07024	1.2
70.06593	0.3
70.70752	0.3
71.04965	0.7
73.02906	1.2
79.05476	2.4
81.03395	3.9
84.08158	0.4
85.02889	17.8
86.09689	0.4
87.04437	0.5
91.03914	0.7
91.05465	7.2
93.07024	0.6
94.04156	0.7
95.04943	0.7
97.02867	6.6
99.04419	3.2
103.03947	2.4
103.05445	9.6
105.07011	3.2
107.04955	2.2
107.08581	2.4
109.02855	3.6
109.06511	1.5
111.04414	0.3
115.05408	4.7
117.06995	5.0
119.04941	0.5
119.05920	0.4
119.08562	8.1
121.06496	0.8
121.10144	0.4
122.03620	4.2
127.03886	9.0
128.06194	2.1
129.06982	4.7
131.04895	24.2
132.05701	4.9
133.06494	0.6
135.04298	0.3
135.08015	4.8
137.05952	87.3
138.06245	0.7
141.06969	0.8
143.04840	0.6
145.04976	2.5
145.06465	2.3
147.04422	0.7
147.08022	12.4
148.05171	0.7
149.05902	0.4
151.03879	0.3
151.07523	1.3
157.06474	2.5
159.08014	0.5
160.05203	4.0
161.05940	1.8
163.07504	76.1
164.07965	0.5
169.06439	2.3
174.06693	0.6
175.07507	100.0
176.07809	0.4
177.09052	2.4
181.08592	0.3
186.06772	1.8
187.07484	2.4
188.08272	0.5
189.09084	6.2
193.08505	0.4
201.09070	2.1
217.08563	0.8
233.09547	0.7
261.08963	0.6
271.07950	0.4
277.02271	0.3
281.11798	0.4
283.09555	0.4
289.09073	0.6
293.11737	0.7
313.14267	11.2
325.14267	21.7
331.15289	1.3
343.11566	0.5
343.15338	8.9
345.76904	0.3
361.16296	1.6
433.13251	0.6
437.61124	0.4
572.23633	0.7
573.24048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68195	2.9
55.05502	22.6
57.07045	5.8
67.05156	2.8
67.05499	66.6
69.07059	33.5
79.05477	33.2
81.07037	100.0
83.08601	19.5
85.06528	5.0
85.10587	2.8
91.05476	26.6
92.63917	3.7
93.07026	34.3
95.08588	86.1
97.06498	6.1
97.10146	6.8
105.07005	12.4
107.08587	30.9
109.10159	41.2
111.08040	5.2
117.07003	12.1
119.08545	23.9
121.10121	53.4
123.08028	3.3
123.11686	12.1
125.06005	11.4
125.09619	3.7
131.08543	27.7
133.10066	15.5
135.11674	21.1
137.09575	7.1
143.08560	4.2
145.10104	24.8
149.09673	3.9
150.00217	3.2
157.10062	3.1
159.11610	4.1
161.13220	3.3
173.13200	4.2
197.24712	3.2
198.92313	2.9
201.16351	41.5
218.97708	2.7
219.17398	17.7
219.21049	3.1
221.18942	4.9
237.18439	15.9
237.22292	3.5
247.16780	5.0
265.17975	4.5
278.68286	3.0
283.18976	5.1
331.83282	3.1
455.38635	16.5
473.39835	98.7
475.41495	12.3
491.40671	21.5
499.91132	3.8
501.40042	4.1
514.47992	4.3
519.40118	4.1
572.43622	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	572.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.5
53.03939	0.8
55.01865	2.9
55.05504	3.6
57.03422	0.8
58.99572	0.7
59.36412	0.6
60.07626	0.5
67.05490	11.5
69.03412	0.7
69.07046	6.3
71.04985	1.2
74.00674	4.4
76.02213	2.4
76.03972	0.7
79.05475	12.6
80.05006	2.1
80.30496	0.5
81.03416	0.8
81.07039	25.8
83.06083	2.7
83.08607	3.7
84.04488	12.4
84.04952	0.8
85.01109	2.3
85.02916	0.7
85.06554	1.1
86.00636	1.3
86.48212	0.6
91.05457	8.7
93.07021	13.6
94.06573	1.2
95.04938	4.4
95.08589	10.2
97.01105	2.5
97.06497	4.7
99.01405	6.1
99.05547	0.8
100.02171	9.7
100.45712	0.6
102.05506	1.0
105.07013	7.5
106.06570	0.6
107.04923	4.2
107.08576	7.2
107.63956	0.6
108.04424	0.6
108.08130	0.7
109.06483	6.4
109.10155	3.1
110.09651	0.7
111.02671	1.0
111.08060	1.1
112.02168	15.5
112.03913	0.6
113.00567	0.8
113.02974	3.5
113.04223	2.3
114.03737	8.6
115.05787	0.8
116.01668	3.1
117.06999	5.0
119.08551	8.9
120.08118	0.7
120.70338	0.7
121.06512	3.1
121.10112	11.9
122.09594	0.6
123.02650	1.3
123.08051	1.4
125.04163	1.1
126.03725	4.6
129.06618	1.3
130.04979	2.5
131.04897	2.7
131.08556	4.7
133.06490	1.1
133.10109	3.8
134.09650	0.9
135.08032	4.0
135.11646	5.4
136.03934	0.8
137.04187	0.8
137.05968	7.8
137.09589	3.8
138.03708	7.4
139.05681	0.7
140.01663	1.2
140.05272	11.2
141.07024	1.0
142.03217	0.9
142.06853	0.8
143.08598	1.0
145.06329	1.2
145.10097	8.1
147.08051	0.8
149.09605	3.2
151.05753	1.0
151.07555	0.9
151.11151	0.6
152.05292	3.8
157.10133	0.6
159.08052	0.6
159.11702	0.9
161.05998	1.2
161.09627	1.1
162.02240	0.8
163.07547	0.9
163.11139	8.9
165.09135	0.8
166.06844	0.8
168.08389	27.9
169.10222	0.7
175.07439	0.7
177.09001	0.8
179.10674	1.3
181.06075	0.8
181.12231	2.4
184.21767	0.6
185.03821	3.2
187.05328	1.0
189.09045	0.9
193.06805	1.3
194.11687	0.8
202.04002	1.4
208.11482	1.4
216.05576	2.8
218.09969	1.1
220.13303	0.7
226.09036	0.7
229.06380	0.6
231.04262	4.6
233.05939	1.3
236.10965	12.6
237.09464	0.9
237.11751	0.8
241.06343	1.2
247.16855	2.4
253.11278	2.8
254.12032	65.2
255.07883	5.2
264.19562	0.8
265.17981	0.9
269.09464	2.8
270.10266	10.8
271.10986	0.7
281.10745	0.8
295.12616	1.0
305.15765	0.9
308.08997	0.7
311.14319	1.0
322.18280	5.6
323.16626	3.3
340.19348	17.0
356.13904	19.6
357.14746	3.8
425.20947	100.0
426.21408	1.3
451.22873	0.8
497.22971	5.0
521.50763	0.7
554.25238	1.2
572.26312	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	572.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
65.03902	0.4
66.62531	0.3
69.07065	0.7
70.06568	0.4
76.13191	0.3
76.93827	0.3
79.05469	1.6
81.07024	0.9
86.42317	0.4
91.05447	5.3
93.07037	0.5
94.04144	2.1
95.04949	1.5
97.06517	4.5
97.33780	0.3
99.25817	0.3
102.04689	0.5
103.05441	6.2
105.07018	5.0
107.04926	2.0
109.06486	1.8
111.04438	1.5
115.05443	1.5
117.06980	0.5
118.04104	0.4
119.04900	5.3
121.06438	1.9
122.03619	5.8
123.04459	0.6
125.05949	0.7
128.06181	0.7
129.06973	1.6
130.04071	1.3
131.04901	18.9
131.08499	0.4
133.02835	1.7
133.06464	3.0
135.04393	1.9
137.05951	100.0
138.06207	0.6
143.04921	0.6
145.06442	2.0
146.03596	0.5
147.04378	5.1
147.08066	0.6
149.05968	3.7
150.06714	2.2
151.03883	1.6
151.07526	3.8
153.05444	2.4
157.06439	1.7
158.60432	0.4
159.04350	1.7
159.08006	2.0
160.05148	2.4
161.05942	31.4
162.06721	4.3
163.07495	8.4
165.05431	2.3
165.06973	2.4
165.09053	0.6
167.07014	0.5
167.08557	0.6
169.06438	0.4
170.07214	0.5
171.07976	0.5
172.04951	0.4
173.05956	0.6
173.09521	0.6
174.06729	2.3
175.07497	15.5
177.05453	0.6
177.09074	0.7
179.07010	0.4
181.06465	0.7
182.07129	0.8
185.09534	0.5
187.07512	9.8
189.05397	1.4
189.09045	4.3
191.06978	0.6
191.08626	0.7
191.10603	0.8
193.06438	2.3
193.08121	0.4
193.10095	0.5
194.07295	0.4
195.07980	0.6
198.06723	0.6
199.07498	1.6
201.05409	0.7
201.09029	2.8
203.06923	0.8
210.06680	1.6
211.07582	0.5
213.09047	2.0
215.07022	0.6
219.08107	0.7
221.05954	3.7
222.06773	0.4
223.07443	0.4
224.08154	0.7
225.08919	4.3
229.08475	1.4
229.23854	0.4
231.08005	0.5
233.07985	0.8
235.07439	0.5
238.06143	0.6
241.08656	0.6
247.07423	0.5
247.09650	2.0
251.10750	0.4
253.08430	5.3
255.11292	0.5
262.09909	0.4
265.08566	1.5
267.09924	3.2
270.08774	0.8
271.09702	0.6
279.10086	0.5
285.11176	12.0
285.14594	1.3
287.16431	0.8
289.08557	0.5
295.10638	0.5
297.11191	2.9
301.08542	0.5
303.15884	0.8
304.10922	0.5
305.11502	0.5
311.12866	0.5
313.11746	4.7
314.12549	0.6
315.10043	2.1
321.11017	0.5
325.10571	1.5
327.15765	0.5
329.11700	0.5
337.14392	3.1
347.12677	2.5
355.15314	3.7
365.13724	11.6
383.14807	23.5
395.14648	1.9
489.19028	3.8
501.18533	0.5
507.19955	11.0
519.19946	0.8
573.26611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
52.53476	0.2
53.03941	0.2
55.01860	0.9
55.05490	0.3
57.03411	0.3
57.07118	0.2
65.03902	0.3
67.05477	0.3
69.03412	0.3
69.07054	0.3
70.06575	0.2
71.25778	0.2
76.02204	0.2
79.05458	1.1
81.03407	4.9
81.07029	0.4
83.04973	0.3
85.02869	0.3
91.05466	3.4
94.04174	0.8
95.04953	0.8
95.08604	0.3
97.02854	0.2
97.06518	3.9
102.04664	0.2
103.05457	1.6
105.07025	2.4
107.04945	0.9
107.08545	0.2
109.02895	0.3
109.06503	0.8
110.84637	0.2
111.04458	0.5
115.05447	1.8
117.06998	1.0
119.04926	4.2
119.08567	0.3
121.06493	1.1
122.03636	3.5
123.04435	0.4
125.05980	0.3
127.03931	0.2
129.05449	0.2
129.06969	2.6
130.04129	0.8
131.04909	2.5
131.08609	0.2
133.06467	2.6
135.04373	0.3
137.05960	100.0
138.06268	0.4
138.09166	0.2
141.06993	0.2
143.04922	1.8
143.08612	0.3
144.05721	0.3
145.06490	1.7
146.03632	0.3
147.04401	4.4
147.07988	0.3
149.06023	1.3
150.06706	0.3
151.03912	3.4
151.05006	0.4
151.07545	1.6
152.64888	0.2
153.05479	0.5
157.06454	3.0
159.04335	0.3
159.08026	0.2
160.05191	2.8
161.05945	5.5
162.06717	3.0
163.07544	1.2
165.07050	0.2
171.08020	0.4
172.05157	0.3
173.05891	0.3
174.06746	0.9
175.07513	13.6
177.09111	0.3
179.07010	1.1
184.05186	0.4
185.05959	0.5
187.07503	5.3
188.08293	0.3
189.09055	3.0
191.07056	0.4
191.10623	0.2
194.07149	0.2
199.07524	3.0
201.09090	0.3
203.06941	0.3
205.06770	0.3
205.08554	6.3
205.10303	0.4
207.08067	0.3
207.10150	0.2
211.07573	0.7
213.09077	0.3
217.08585	2.3
221.05949	0.2
224.08234	0.3
229.08470	0.4
234.58018	0.2
235.09656	2.9
237.09122	0.3
241.08530	0.3
247.07590	0.2
251.10652	0.3
264.07675	0.3
265.08585	1.0
267.10068	1.0
275.10532	0.3
285.14847	0.3
287.16364	0.3
291.10144	0.3
293.08151	0.2
295.09875	0.2
297.11069	0.4
299.12762	0.3
303.15814	0.4
306.53784	0.2
311.15948	0.2
313.11453	0.2
321.11215	0.4
327.15735	0.2
328.07501	0.2
329.13629	0.3
335.12720	0.8
347.12759	0.3
357.13092	0.4
365.13623	0.4
374.22543	0.2
375.22876	0.2
393.18985	0.3
487.17270	1.3
489.19275	0.3
519.20264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.2
54.81617	0.2
55.01856	0.3
57.03409	0.5
61.02900	1.0
62.58080	0.2
63.19514	0.2
69.03399	2.0
70.06564	1.2
70.68452	0.2
71.04965	0.2
73.02895	1.5
75.90182	0.2
79.05447	0.3
81.03388	0.9
81.07018	0.3
83.04952	0.2
84.08129	0.2
85.02886	5.9
88.84731	0.2
91.03967	0.2
91.05450	1.5
92.09261	0.6
93.03381	0.2
93.07031	0.2
94.04151	1.2
95.04932	0.4
97.02892	1.8
99.04420	0.4
103.05428	0.9
105.06990	0.5
107.04932	0.9
109.02839	0.8
109.06489	0.8
110.03629	0.2
111.04460	0.4
115.05424	1.3
117.07001	0.3
119.04906	0.5
121.06467	1.0
122.03620	5.1
123.04421	0.4
125.05954	1.6
127.03885	1.1
128.06229	0.2
131.04916	2.6
133.02820	0.3
133.06454	0.3
137.05948	100.0
138.06247	0.4
143.04874	1.6
145.04953	0.5
145.06386	0.3
147.04401	1.4
147.08006	0.3
149.05949	1.7
151.03882	5.2
151.04980	0.4
151.07515	1.5
153.05499	0.2
159.04350	0.3
160.05122	0.5
161.05939	4.2
161.07181	0.3
162.06628	0.2
163.07484	1.1
165.05473	0.3
165.06966	1.1
166.06180	0.2
167.08531	0.3
172.05194	0.3
175.07503	2.7
176.04642	0.4
177.05449	0.4
177.06898	0.2
179.07018	1.9
179.08543	0.9
181.06508	0.8
189.06935	0.4
190.06276	0.4
191.07001	3.1
191.08481	0.3
193.06413	1.0
195.08072	0.3
197.08073	2.0
203.06909	1.8
205.06493	0.9
205.08391	0.2
206.07150	0.3
207.07982	1.4
209.07928	0.3
210.06689	0.3
211.07559	0.4
217.06453	0.4
219.08043	0.5
221.05940	1.5
221.07951	0.4
222.06703	0.3
223.07426	0.5
224.08258	0.9
225.09058	1.3
233.05975	0.9
234.06749	1.5
235.07509	1.5
237.08975	2.2
238.06241	0.3
239.06989	0.3
239.10614	1.2
241.08585	0.3
243.12283	0.2
247.07483	0.4
249.08981	1.5
250.06122	0.4
251.06931	0.4
252.07767	0.3
253.08565	2.9
255.10066	0.4
263.06885	0.4
264.07950	0.2
265.08511	3.2
266.09515	0.8
267.10046	3.3
269.08099	0.4
277.08551	2.5
279.06442	0.3
282.08932	0.2
284.10336	0.9
285.11130	2.7
294.08777	2.8
295.09546	1.0
297.11142	1.9
299.12686	0.5
309.11148	5.1
315.12158	2.8
327.12146	5.9
345.13229	21.8
346.13608	0.2
357.13251	0.5
375.14389	0.3
393.15411	0.5
403.77484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28689	0.2
55.01851	0.6
65.03930	0.3
66.82016	0.2
67.05481	0.4
69.05115	0.2
69.07054	0.6
70.06571	0.4
77.03907	0.3
78.05331	0.3
79.05461	1.5
81.03393	4.9
81.07016	0.4
83.04955	0.3
85.02895	0.4
89.77836	0.2
91.05474	3.7
94.04175	1.1
95.04970	0.3
95.08595	0.3
97.06514	5.9
103.05440	2.6
105.07001	2.9
107.04936	1.2
107.08612	0.3
109.02854	0.4
109.06512	0.4
111.04485	0.3
115.05437	1.9
117.06956	1.3
119.04928	4.6
119.31637	0.2
121.06434	0.4
122.03620	3.3
123.04321	0.3
125.05871	0.3
127.03762	0.3
129.06938	2.2
130.04161	0.5
131.00032	0.3
131.04900	5.3
133.02879	0.4
133.06468	2.8
135.04372	0.3
137.05954	100.0
138.06306	0.5
143.04910	1.4
143.08545	0.3
144.05673	0.6
145.06488	1.2
147.04373	5.6
147.08060	0.6
149.05954	0.6
151.03912	3.8
151.07486	1.3
157.06448	2.3
159.08008	0.4
160.05222	2.4
161.05937	6.3
161.09540	0.3
162.05495	0.4
162.06735	3.6
163.07512	1.6
171.08038	0.5
174.06764	0.6
175.07504	11.8
177.09084	0.4
179.07028	1.4
185.05960	0.3
187.07536	4.6
188.08177	0.5
189.09099	2.7
199.07458	2.1
201.09077	0.5
205.08600	7.3
207.08058	0.4
211.07574	0.5
213.09009	0.3
217.08549	2.5
224.08293	0.4
229.08546	0.4
235.09525	2.1
241.08615	0.5
241.12180	1.2
267.10080	0.5
285.11276	0.5
285.14703	1.0
287.16443	0.5
297.11221	0.5
299.12726	0.4
303.15964	0.5
323.12711	0.4
335.12671	0.3
347.12570	0.3
393.19083	0.4
406.17426	0.6
487.17160	1.3
519.20953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
55.01866	0.3
57.03428	0.5
61.02896	0.5
63.75350	0.2
64.97663	0.2
65.03911	0.3
69.03418	2.1
69.03743	0.2
70.06567	0.5
73.02874	0.2
79.05471	0.8
81.03387	0.5
85.02892	6.5
91.05446	1.3
92.09232	0.2
94.04160	1.6
97.02868	2.0
103.05434	1.0
105.06982	0.3
107.04933	0.9
109.02836	0.3
109.06487	0.8
111.04449	0.3
115.05412	1.1
116.39721	0.2
119.04910	0.3
121.06487	0.9
122.03619	5.2
125.05981	0.4
127.03893	0.9
131.04895	2.8
133.02829	0.5
137.05954	100.0
139.03842	0.2
143.04907	1.4
145.04947	0.5
145.06479	0.5
147.04362	0.9
147.08032	0.3
149.05972	1.4
151.03867	0.4
151.07536	1.3
153.05478	0.3
159.04442	0.3
160.05147	0.9
161.05933	4.1
163.07504	1.3
165.05450	0.3
165.06931	0.4
168.13779	0.3
175.07500	2.7
176.04745	0.2
177.05467	0.4
177.08955	0.3
179.06993	1.3
179.08537	1.2
181.06331	0.3
187.07544	0.2
189.07019	0.3
191.06998	4.2
191.08569	0.3
193.06488	0.9
194.07271	0.3
195.07954	0.2
203.06985	2.1
205.06500	1.1
206.07224	0.3
207.08025	2.0
211.07523	0.4
213.09138	0.3
217.06487	0.3
219.07947	0.8
221.05942	1.8
221.07942	0.6
222.06645	0.4
223.07489	0.9
224.08232	0.8
225.09042	1.7
233.05940	0.8
234.06731	1.3
235.07468	1.5
236.08247	0.2
237.09132	1.6
238.06140	0.4
239.10672	1.0
241.08647	0.3
249.08984	1.5
250.06216	1.0
251.06961	1.1
252.07814	0.3
253.08522	2.6
255.10121	0.3
262.06171	0.5
263.06842	0.4
264.07898	0.2
265.08566	3.3
266.09146	0.3
267.10062	3.1
269.07999	1.0
273.11179	0.3
277.08569	2.6
279.06461	0.4
279.10022	0.3
282.08841	0.3
283.09662	0.3
284.10458	0.4
285.11185	3.1
294.08728	2.3
295.09622	1.5
297.11145	2.3
299.12720	1.0
307.09634	0.3
309.11166	5.9
315.12247	2.9
327.12241	5.9
339.12088	0.3
345.13281	21.1
357.13318	0.3
502.87872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01852	6.4
55.05505	17.1
57.03419	2.3
57.07057	10.4
62.47495	1.3
65.40378	1.5
67.05501	22.2
68.22845	1.5
69.07049	6.8
70.06577	21.1
71.04971	6.3
71.08641	1.4
79.05474	21.2
81.07041	33.8
83.04996	1.8
83.08601	8.3
85.02935	1.9
88.07614	25.2
89.06008	2.0
91.05453	18.5
92.08649	4.8
93.07025	16.8
95.04959	11.0
95.08595	8.6
97.10151	7.3
102.09144	19.5
105.03368	22.1
105.07008	7.7
107.08604	13.5
107.59727	1.6
109.06475	3.7
109.10143	3.8
111.04443	3.7
111.08054	3.3
117.07013	2.7
119.08552	14.3
121.06491	2.7
121.10113	2.7
123.08057	2.6
123.11792	2.0
125.09631	3.4
131.08571	8.2
131.74651	1.6
133.10112	3.2
135.08040	3.4
135.11694	1.8
143.08702	1.7
145.10133	6.9
147.08017	9.2
149.02344	16.3
149.05966	100.0
150.06296	1.7
153.09114	2.3
157.10188	2.2
159.11693	2.3
161.09602	3.4
163.11208	3.7
189.11189	2.2
191.10834	2.1
193.04926	16.0
256.26315	50.6
258.43185	1.8
273.18445	12.4
290.30206	1.5
291.19522	40.8
297.07501	13.7
309.20581	3.0
310.97293	1.6
341.10153	65.1
395.94333	2.0
459.30878	2.0
528.01306	2.0
570.34137	94.4
571.34229	1.9
590.05133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82906	1.4
51.78468	1.4
53.00296	2.7
53.03928	12.2
54.81443	1.8
55.01870	12.4
55.05504	69.7
57.03417	1.5
57.07066	15.0
57.18408	1.6
65.03918	3.3
66.51460	1.4
67.05493	91.2
69.03420	3.6
69.07053	37.0
71.04968	7.9
77.03928	1.6
79.05012	2.1
79.05474	79.8
81.03413	16.5
81.07037	100.0
83.04959	14.0
83.08601	40.6
85.06541	2.7
85.10175	15.9
91.05462	84.6
93.07022	90.2
95.04948	56.2
95.08582	76.6
97.06529	12.5
97.10143	12.5
100.85031	1.7
105.04428	2.6
105.07009	82.9
107.04949	27.1
107.08586	59.5
109.06484	11.9
109.10137	28.5
111.08068	6.9
113.09639	15.9
117.06986	26.8
119.08560	74.5
121.06498	13.7
121.07245	1.7
121.10138	38.3
123.08054	11.4
123.11671	11.6
125.09605	11.2
128.06197	2.2
129.06985	17.4
130.07690	1.7
131.08534	42.9
133.06461	2.5
133.10103	51.4
135.08032	11.5
135.11693	23.4
137.09590	7.1
137.13173	2.7
141.07004	3.4
143.08554	12.4
145.06465	2.3
145.10095	39.8
147.08025	4.0
147.11678	34.1
149.09599	42.8
149.13222	10.6
151.11186	9.1
155.08551	8.9
157.10083	12.1
159.11673	26.0
161.09532	3.3
161.13199	13.9
163.11165	34.2
163.14891	2.5
165.12723	29.8
169.10167	7.2
171.11644	9.7
173.09607	7.5
173.13219	14.6
175.11078	7.2
175.14807	3.0
177.12720	3.1
179.14275	2.4
181.12206	2.2
183.11653	3.9
185.13213	4.2
187.11110	2.2
187.14827	3.4
189.11171	2.6
191.14333	2.5
197.13162	7.0
199.14751	3.8
201.16423	1.7
211.14917	2.2
213.16359	3.8
223.13155	15.0
229.19437	3.9
239.17882	9.8
241.19514	2.1
243.87686	1.8
257.18961	10.8
259.20483	2.9
261.22086	8.3
275.19992	90.2
277.21585	38.0
279.23102	11.2
293.21005	24.3
295.22635	21.7
303.23233	2.4
343.75870	2.1
345.27783	2.9
425.33786	3.0
441.33301	2.2
443.35272	2.5
445.32761	1.9
449.54599	1.7
517.39740	2.4
535.40863	3.3
553.42413	16.4
571.42865	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09948	0.6
52.67166	0.5
53.64267	0.5
55.05505	2.8
56.05065	0.7
57.07064	10.1
58.06578	3.0
59.31429	0.5
70.03285	0.7
70.06582	23.0
71.08630	3.0
72.08132	0.8
79.05470	1.2
81.07037	3.1
81.88464	0.7
85.72353	0.7
88.03965	0.8
88.07616	24.4
91.05454	1.3
93.07047	0.9
95.04953	1.4
95.08561	1.3
98.23166	0.7
102.09160	18.5
105.03381	21.7
105.06995	1.2
109.10217	0.8
115.49524	0.9
131.04939	0.8
133.10094	0.8
149.02336	15.0
149.05962	100.0
181.06494	3.6
186.05264	0.7
193.04950	15.6
210.97316	0.7
219.06563	1.1
256.26297	48.1
291.19507	1.4
297.07471	16.0
341.10144	58.1
521.65387	0.7
570.34149	91.3
571.33826	0.9
579.01886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
57.07042	0.5
60.23153	0.4
60.81124	0.4
65.03896	0.8
67.05493	1.6
69.07039	0.8
72.87945	0.4
77.03893	0.9
78.75209	0.4
79.05463	0.9
79.15781	0.4
81.07020	1.9
83.08571	0.8
89.03883	0.7
89.05984	0.5
91.05460	29.9
92.09382	1.6
93.07016	1.8
95.08587	2.0
102.38572	0.4
103.05415	0.5
105.03355	0.8
105.07040	0.7
119.04918	54.3
121.10073	0.8
125.99838	0.4
129.03304	0.7
132.02039	2.7
135.04413	0.5
135.11661	0.7
136.05194	0.6
145.02824	1.1
146.03577	1.0
147.04387	47.0
149.02318	0.7
149.05957	0.9
157.03929	5.0
160.01552	0.6
164.04633	2.3
174.03146	0.8
175.03870	75.7
176.04324	0.7
177.05423	0.5
179.07025	6.1
192.04147	3.0
207.06496	100.0
208.06847	0.5
256.26303	0.7
341.10184	0.6
347.78299	0.6
355.95694	0.6
460.33237	0.5
507.38162	0.5
535.32617	11.2
543.42096	0.5
570.34070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
55.05498	3.2
57.03424	1.1
57.07063	2.9
65.03906	0.5
67.05494	3.8
69.07057	3.5
70.41413	0.5
70.97413	0.5
71.08624	0.8
71.95085	0.5
79.05482	2.9
79.41299	0.5
81.03389	1.2
81.07051	5.1
83.08591	2.6
83.49975	0.5
89.06030	1.0
91.05466	19.5
92.09337	0.7
93.07009	3.4
95.04957	1.3
95.08589	3.6
97.06499	0.7
97.10156	1.3
105.03381	0.5
105.06976	1.9
107.08575	0.7
109.06512	0.8
109.10146	0.9
116.84044	0.5
117.07051	0.8
118.04150	1.1
119.04925	27.6
119.08566	1.1
121.10107	0.9
129.03392	0.7
131.08519	0.6
132.02081	3.1
133.02873	0.6
133.10078	0.7
135.04440	1.1
135.11620	1.0
136.05182	1.1
145.02843	1.2
146.03589	5.4
147.04399	32.3
148.05214	0.8
149.02301	2.8
149.05949	2.7
150.03094	0.8
153.12694	0.6
157.03976	0.9
160.01509	9.4
162.03091	2.4
163.03932	0.8
164.04646	4.9
174.03098	3.1
175.03882	62.1
176.04663	0.6
178.02531	3.7
179.07001	15.1
192.04163	11.3
193.04922	3.4
202.65239	0.6
203.55354	0.7
207.06509	100.0
227.20023	9.6
235.09424	0.6
267.15680	0.8
291.19595	0.6
307.22888	0.9
329.26736	3.6
449.44641	0.6
535.32599	10.8
570.33472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31800	2.9
55.01849	4.7
55.05307	2.5
55.05507	41.3
57.03422	4.4
57.07059	14.7
67.05491	36.8
69.03404	5.3
69.07052	16.1
70.06568	17.3
71.04992	3.5
71.08618	5.7
79.05482	43.8
81.03406	24.4
81.07040	48.0
83.04959	5.8
83.08607	29.7
88.07623	15.2
89.06010	4.0
91.05466	41.0
92.08651	9.4
93.07029	53.1
95.04940	43.1
95.08594	28.9
97.06522	3.3
97.10149	5.3
102.09148	5.0
105.03378	13.1
105.07011	41.5
107.04925	14.1
107.08560	30.5
109.06493	12.8
109.10131	13.3
111.08040	3.1
117.07011	15.4
119.08562	40.8
121.06502	12.9
121.10130	19.6
123.08031	3.9
125.09566	4.5
129.06966	7.2
130.44121	3.2
131.08528	18.4
133.10126	33.2
135.07996	4.4
135.11653	13.1
143.08556	6.8
145.10097	23.2
147.08031	4.6
147.11649	19.1
149.02312	5.9
149.05946	61.8
149.09584	29.5
155.08537	3.2
157.10083	6.2
159.11667	10.8
161.13214	3.0
163.11171	29.4
166.04518	2.5
171.11690	4.1
175.11151	3.8
193.04944	13.2
193.12202	4.6
197.13304	3.7
201.12729	4.0
223.13249	6.3
239.17911	5.8
256.26318	23.5
257.18936	6.9
267.15936	5.0
275.20059	100.0
275.23065	3.3
293.21146	40.8
297.07416	11.8
341.10150	44.8
425.89801	3.0
449.30511	3.8
467.32016	4.0
485.32339	12.9
517.35437	5.4
560.11420	3.9
570.33990	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68535	4.3
51.64458	4.5
53.03947	9.9
55.01868	10.3
55.05507	79.3
57.03432	6.4
57.07080	6.1
64.33376	4.1
66.76010	4.5
67.05496	98.6
69.03416	8.6
69.07050	44.1
70.06571	6.2
71.05014	5.6
79.05476	98.9
81.03415	11.4
81.07046	91.8
83.04957	5.5
83.08588	43.7
91.05466	99.6
93.07030	100.0
94.07330	4.7
95.04945	48.8
95.08602	99.0
97.06577	5.7
97.10172	5.8
105.07020	88.4
107.04946	24.0
107.08582	52.6
109.06528	7.4
109.10141	27.8
114.09876	4.9
117.07013	27.2
119.08564	79.2
121.10143	43.5
123.08055	6.2
129.06981	9.6
131.08546	47.5
133.10092	69.7
134.57324	4.4
135.11681	19.9
136.16382	4.6
137.09625	7.9
141.06984	5.3
143.08568	18.6
145.10077	50.3
147.11653	38.9
149.09618	46.5
149.13326	6.1
155.08612	8.1
157.10130	6.0
159.11687	28.1
161.13240	8.2
163.11134	51.2
169.10120	5.4
171.11667	12.0
173.09554	5.9
173.13303	7.5
183.11681	9.0
195.11728	4.7
197.13249	7.0
223.13248	5.9
239.17877	10.6
257.19019	10.2
273.17014	7.2
275.20047	95.3
277.21689	7.3
284.29446	6.1
285.29828	7.2
293.21042	33.2
311.29807	6.8
335.25751	7.4
419.65536	6.3
475.33789	9.0
476.34308	28.4
534.38538	6.1
569.56458	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	568.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.05503	27.0
56.63717	3.0
57.03416	9.3
57.07053	14.1
63.59959	3.6
65.25894	3.4
67.05495	91.4
69.07059	8.7
70.06572	6.3
71.04965	15.2
74.02193	3.4
76.74022	3.7
77.60853	3.6
79.05483	55.6
81.06593	6.3
81.07040	100.0
83.08569	4.3
85.06535	6.1
85.10161	3.6
87.04458	16.4
88.07608	5.3
89.05990	3.7
91.05452	42.7
92.16687	3.8
93.07022	65.3
95.08579	36.0
97.06516	4.8
97.10141	4.4
105.07020	21.5
107.08578	26.5
109.10135	14.5
111.09290	3.5
119.08591	5.4
121.10109	23.1
123.11703	8.4
131.08545	8.8
133.10123	17.6
134.27464	3.4
135.11642	4.2
147.11583	4.1
151.11171	7.3
155.43166	3.9
157.46266	4.1
159.11801	4.2
169.64473	4.0
236.56053	4.2
284.29404	17.8
301.19974	15.6
307.22623	30.6
311.29694	4.9
312.32474	5.7
334.10431	3.9
475.34180	78.2
533.38141	41.1
568.56525	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05513	11.0
55.05720	1.4
56.99347	1.4
57.07062	9.4
67.05501	21.5
69.03419	1.9
69.07059	14.9
70.06581	3.7
71.08617	2.9
71.77686	1.3
79.05475	27.0
80.06245	2.0
81.07046	36.5
81.80679	1.3
83.04955	1.5
83.08597	7.0
88.07590	3.0
91.05463	52.2
93.07030	65.5
95.04951	52.9
95.08591	31.1
97.06524	1.8
98.85339	1.4
102.09132	2.7
103.05456	2.3
105.07016	95.0
106.07810	1.8
107.08575	49.2
109.06508	8.2
109.10162	20.4
115.05436	3.3
117.07001	33.7
119.05930	1.5
119.08562	100.0
120.09342	6.4
121.06530	1.9
121.10123	33.2
123.08031	13.1
123.11690	3.0
128.06230	12.7
129.06989	18.8
130.07765	10.7
131.08556	61.5
132.09341	12.0
133.06416	1.6
133.10114	52.7
133.11046	3.1
134.10870	2.0
135.08064	6.1
135.11642	13.5
137.09576	1.6
138.10374	1.9
141.06998	9.8
142.07785	22.7
143.08554	53.0
144.09341	18.5
145.10114	100.0
146.10880	3.1
147.08028	1.9
147.11703	20.1
149.09579	3.3
149.13260	3.2
153.07040	3.0
154.07703	2.2
155.08559	21.9
156.09337	23.3
157.10103	55.5
158.10945	12.1
159.08040	1.6
159.11664	39.5
160.12424	1.9
161.09502	6.1
161.13179	7.4
165.06967	6.0
167.08467	10.9
168.09290	8.0
169.10107	25.3
170.10899	8.9
171.11678	31.9
172.12430	6.2
173.13237	19.6
175.14766	12.5
177.12787	3.7
179.08551	10.2
180.09328	5.7
181.10052	16.9
182.10971	11.0
183.11681	31.4
184.12531	2.8
185.13232	23.5
186.13989	3.3
187.14792	10.2
189.12720	2.4
191.14287	3.4
193.10107	9.0
194.10855	11.1
195.11685	17.6
196.12454	10.5
197.13176	24.6
198.13960	3.0
199.14815	10.9
201.12854	2.1
201.16351	2.9
203.14374	2.2
206.10968	2.6
207.11646	13.5
208.12485	6.7
209.11385	2.6
209.13225	21.8
210.14056	2.9
211.14861	16.8
213.16319	2.1
217.15877	2.4
219.11700	2.7
220.12489	3.0
221.13205	9.1
223.14824	10.1
225.16426	7.9
232.12476	2.1
233.13219	3.1
234.14163	2.6
235.14780	8.2
237.16335	8.4
239.18036	2.1
246.13887	1.8
247.14737	2.4
249.16510	2.9
259.20514	1.9
263.17886	6.0
265.19550	6.2
275.17633	2.4
281.18729	2.0
283.26282	2.8
284.29489	7.0
311.29358	8.8
312.32510	2.1
323.23654	2.9
336.84338	1.7
338.25958	29.5
395.72070	1.7
405.43405	1.7
430.32025	10.4
458.35281	1.8
476.36478	18.6
532.28986	1.5
568.42877	32.2
568.56305	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	568.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	1.7
54.62162	1.3
55.01861	3.6
55.05505	16.5
57.03426	11.0
59.52333	1.4
62.08017	1.3
67.05490	46.9
69.03416	3.0
69.07051	26.1
71.04974	3.3
79.05476	43.1
81.03401	5.6
81.07040	100.0
83.04978	3.7
83.08624	16.3
91.05460	27.2
92.09499	1.5
93.07024	42.8
95.04951	12.8
95.08593	35.1
97.02882	2.2
97.06531	10.1
105.07001	15.1
107.04927	7.1
107.08577	25.3
109.06491	20.4
109.10136	8.4
111.08089	3.8
117.06985	11.2
119.08565	11.8
121.10133	19.7
123.08066	3.7
123.11652	1.5
131.08554	13.0
133.10133	9.9
135.08054	7.2
135.11703	7.4
137.09624	7.9
145.10124	7.4
147.08078	1.7
149.09590	10.3
149.13232	13.2
159.11684	9.2
163.11198	2.6
165.09030	1.8
169.10051	1.6
191.47240	1.7
200.03001	1.7
201.16319	2.0
210.76668	1.6
247.16940	15.6
265.17957	6.4
269.17380	31.1
284.29608	1.8
321.20697	8.5
339.21542	13.8
353.92166	1.6
515.33521	38.2
533.34735	38.3
568.56915	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43963	0.2
53.03934	1.1
55.01855	1.3
55.05503	4.1
57.03179	0.2
57.03430	4.5
57.07059	1.6
59.04976	1.4
61.02910	2.7
65.03904	0.2
67.05495	2.0
68.01012	0.2
69.03062	0.3
69.03413	6.6
69.07053	3.0
70.06588	0.2
70.67494	0.2
71.04613	0.4
71.04974	6.3
72.08083	0.3
73.02885	0.8
73.06525	0.3
75.04455	0.2
79.05474	2.6
81.03391	2.4
81.07037	6.4
83.04957	2.8
83.08163	0.3
83.08607	4.4
83.94447	0.2
84.08154	0.3
85.02888	22.5
85.06527	2.9
87.04455	0.4
91.03939	0.8
91.05456	3.6
93.07019	7.9
95.04947	39.1
95.08578	6.3
96.05257	0.2
97.02867	5.9
97.05887	0.4
97.06509	11.4
97.10138	1.4
99.04430	10.4
99.05421	0.2
99.08061	5.6
103.03931	2.2
105.07014	10.9
107.08576	10.5
109.02869	2.7
109.06499	15.0
109.10140	5.9
110.59068	0.2
111.08062	3.2
113.05997	0.4
113.09605	0.9
115.07527	1.8
117.07030	0.5
119.08565	8.9
121.06488	0.9
121.10120	16.2
123.08048	6.2
123.11684	2.7
125.05973	0.3
125.09591	3.4
127.03892	5.8
127.07524	2.9
131.08549	6.8
133.10104	36.9
134.10435	0.3
135.08037	4.4
135.11667	3.5
137.05972	0.9
137.09590	0.4
137.13243	0.3
139.11182	3.4
139.61670	0.2
143.08540	0.3
143.10660	2.0
145.04944	4.2
145.10114	3.2
147.11664	28.8
149.09587	1.3
149.13226	4.3
151.11153	3.9
153.09076	22.8
158.10922	1.9
161.13226	1.9
163.05959	1.4
163.11171	0.4
163.14821	3.6
165.12723	5.2
167.14259	1.2
171.10144	6.6
173.13223	15.7
177.09010	0.2
179.14270	1.5
185.46724	0.2
191.14276	20.4
197.15340	1.3
209.15332	33.7
210.15569	0.3
212.61656	0.2
227.16379	100.0
228.16721	1.3
307.10214	0.2
389.21265	1.6
390.21588	0.2
422.26315	0.2
444.20477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06438	0.5
53.00278	0.5
53.03918	0.8
55.01854	1.3
55.05235	0.6
55.05502	15.5
57.03423	2.9
57.07054	3.5
57.87012	0.5
59.04985	0.7
61.02915	4.5
61.17334	0.6
65.03944	0.6
67.05489	6.5
69.03409	10.0
69.06715	1.0
69.07056	15.1
70.06577	1.3
71.04974	3.1
73.02885	3.4
79.05469	9.2
81.03391	5.5
81.07035	17.2
83.04969	5.8
83.08609	8.7
85.02890	31.9
85.06534	1.2
87.04451	1.3
91.03928	1.3
91.05457	18.0
93.07024	23.4
95.04941	9.8
95.08583	20.1
97.02866	11.0
97.06508	2.4
99.04428	11.7
103.03928	14.5
103.05399	0.8
105.07012	60.9
106.17008	0.6
107.04920	0.6
107.08573	46.5
109.02860	4.4
109.06516	5.7
109.10126	12.8
110.07148	0.8
111.08051	1.0
111.74062	0.6
115.05413	0.8
116.06207	1.1
116.07061	0.5
117.06997	7.0
119.08556	100.0
121.06461	2.3
121.10114	30.6
123.08025	3.6
123.11678	3.1
125.09583	1.4
126.31017	0.6
127.03895	22.4
129.06970	3.4
131.08542	46.4
133.04871	1.0
133.10101	57.8
135.08031	8.4
135.11673	9.3
137.06001	0.8
137.09576	3.1
143.08565	4.3
144.09344	0.6
145.04939	13.4
145.10097	15.5
146.10857	2.4
147.07898	0.7
147.11664	46.8
149.09613	3.2
149.13231	12.8
151.11185	5.9
151.14780	0.9
153.09087	3.5
158.10941	7.3
159.11652	3.0
161.13222	83.6
163.05981	9.1
163.11119	1.2
163.14804	10.6
165.12701	1.1
167.14284	7.3
171.11626	0.9
173.13222	46.1
175.14781	82.5
176.15115	0.7
177.05391	0.7
179.05513	0.7
179.14272	12.7
191.14275	38.8
193.15849	17.8
203.14307	1.3
209.08032	3.0
209.15332	48.1
221.15297	3.4
227.16263	2.7
235.32889	0.7
307.10229	6.5
325.11099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
57.03415	2.5
61.79945	0.5
63.19901	0.5
67.05497	4.3
69.07053	1.4
79.05473	2.8
80.23146	0.5
81.03397	3.3
81.07044	4.9
83.04931	0.6
83.08582	0.9
85.02882	1.2
91.05463	3.4
92.62690	0.7
93.07015	3.5
95.04935	1.0
95.08590	1.4
105.07017	2.8
105.64669	0.6
107.08588	2.7
111.08092	0.7
119.08560	1.2
120.94598	0.6
121.10087	0.9
131.08589	1.1
131.25436	0.6
133.10089	1.3
143.44626	0.6
147.11668	1.0
149.13161	0.6
157.10190	0.9
185.04124	0.9
193.12224	0.7
203.05302	0.9
206.90414	0.7
227.12979	0.6
251.12437	2.2
257.32602	0.6
259.07959	2.0
269.17484	1.1
283.11981	0.8
283.15121	10.3
308.77664	0.8
331.09818	0.8
339.17807	3.8
351.25018	1.0
387.16089	0.8
405.22388	1.2
435.68307	0.7
567.27240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81255	0.5
55.01851	0.7
55.05507	0.6
56.63277	0.4
58.02172	0.6
67.05466	1.6
69.07040	1.1
77.20488	0.6
80.47516	0.4
81.03419	0.7
81.07025	0.9
81.60509	0.5
91.05473	0.8
107.08526	0.6
137.06004	0.7
185.04214	0.7
185.13213	0.5
201.03676	0.9
233.33261	0.7
250.36896	0.6
253.73096	0.7
326.83997	0.7
331.09952	3.0
394.37051	0.6
405.22211	2.5
567.27551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
55.05495	4.1
55.71632	0.4
56.54718	0.5
57.03434	2.7
57.07059	0.5
65.42175	0.5
67.05495	5.4
68.59930	0.5
68.93610	0.4
69.03419	0.5
69.07043	1.7
71.04986	0.9
71.08632	2.1
79.05477	4.2
81.03407	2.5
81.07036	8.4
83.04985	1.3
83.08618	3.4
85.02905	2.9
87.04522	0.5
91.05471	5.2
93.07036	4.7
95.04983	2.5
95.08586	4.3
97.06526	1.1
97.10168	0.7
99.08087	0.8
104.23608	0.5
104.68491	0.5
105.07056	3.2
106.07355	0.7
106.95970	0.5
107.08595	2.3
109.10144	0.9
111.08098	3.0
117.07071	0.7
119.08603	3.2
121.10155	2.2
123.08156	0.7
123.11710	0.6
129.06992	1.0
131.08565	1.0
133.10115	3.0
135.11729	0.7
147.11729	3.1
148.12018	0.6
149.09613	1.1
149.13356	0.6
151.11163	0.8
157.10188	1.0
161.13300	0.6
163.11212	0.7
165.12791	1.3
175.11256	0.9
180.77484	0.6
251.12601	3.5
277.21634	2.2
278.22073	1.1
283.15100	17.0
295.22675	0.7
307.15204	0.9
339.17792	6.8
351.25513	3.1
352.25424	4.5
369.26224	8.5
370.26663	6.3
373.22388	0.6
490.14246	0.6
567.31531	100.0
568.31787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29591	0.2
53.03925	0.3
55.01865	0.3
55.05503	4.3
57.03422	1.0
57.07066	0.2
59.69823	0.2
61.02914	1.6
61.55881	0.2
67.05492	2.3
69.03417	2.5
69.07050	6.4
70.06569	0.2
71.04980	0.8
73.02894	0.9
75.00771	0.2
78.42215	0.2
79.05472	2.6
81.03388	1.8
81.07032	7.3
83.04961	0.8
83.08591	1.7
84.04491	0.3
85.02885	9.7
85.06509	0.2
86.06042	0.3
87.04442	0.4
91.03918	0.3
91.05460	6.8
92.08641	0.7
93.07022	5.5
95.04938	1.0
95.08580	6.9
97.02871	2.9
97.06517	0.3
97.10127	0.2
98.06062	0.3
99.04441	0.8
103.03922	0.3
103.05410	0.3
105.07006	27.7
107.08572	8.8
109.02851	0.5
109.06525	0.4
109.10131	1.5
111.08074	0.3
115.05391	0.4
117.07001	2.3
119.08553	48.4
121.06482	0.3
121.10115	4.2
123.08018	0.3
123.11671	0.2
127.03894	1.9
129.06995	0.7
131.08537	16.5
132.09346	0.2
133.10101	26.3
134.10461	0.2
135.08058	0.9
135.11647	1.4
137.05954	0.4
141.54817	0.2
143.08560	1.7
144.09320	1.0
145.04933	1.5
145.10092	6.4
146.10887	1.4
147.11656	16.4
149.09555	1.0
149.13242	0.9
156.09302	0.2
158.10886	2.3
159.11687	0.8
160.12488	0.2
161.13214	20.3
163.05923	0.7
163.11166	0.2
163.14731	1.5
165.12706	0.4
171.11678	0.4
173.13216	31.6
175.14777	100.0
176.15067	0.5
177.16354	0.3
177.95364	0.2
179.14264	1.6
183.51384	0.3
191.10602	0.3
191.14273	8.3
193.12277	0.3
193.15866	2.1
209.15366	2.4
210.14891	0.3
210.31554	0.2
225.61827	0.2
252.15901	0.3
291.74118	0.2
328.40817	0.2
388.23105	0.7
550.28015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01855	2.1
56.76777	1.0
56.96557	0.8
57.03418	4.9
61.02913	1.3
67.05490	1.0
68.06439	1.0
69.03407	6.1
69.07040	1.2
70.06573	2.1
71.04974	1.9
72.43877	0.9
73.02872	1.1
75.67776	1.0
77.28777	1.0
79.05482	1.8
81.03385	4.8
81.07040	2.5
83.04974	2.0
85.02900	17.5
87.04398	1.4
91.05465	2.2
92.08651	1.1
93.07009	2.3
95.04946	1.9
95.08578	4.1
97.02876	9.3
97.06492	1.3
99.04420	5.6
103.03934	8.5
103.04507	1.0
105.07003	5.9
107.04930	1.1
107.08583	2.1
108.08109	2.0
109.02878	4.3
109.06480	1.1
109.10173	2.1
119.04906	1.1
119.08540	3.8
121.10114	6.6
123.08065	2.0
123.11673	2.4
127.03880	10.4
133.10074	5.4
134.15836	1.0
137.05939	5.2
137.09608	4.7
145.04973	2.3
147.11682	1.7
151.07526	1.9
153.08998	1.2
161.13217	2.0
163.05991	1.4
172.07564	1.4
178.04901	1.1
189.10243	1.9
189.12694	2.5
197.07127	5.1
199.08583	2.4
202.08586	1.5
207.13795	10.2
208.14012	2.0
211.08638	7.0
212.09430	1.4
213.10223	4.8
225.06598	14.0
225.10167	9.9
225.14801	5.1
227.08003	2.3
227.11734	4.6
228.10112	1.6
229.09831	1.9
238.08772	1.0
239.08150	25.0
240.08701	1.8
241.09691	1.8
243.07590	3.8
243.15941	2.4
245.12823	51.3
253.05760	1.3
253.09697	25.0
255.07629	4.2
255.11172	4.0
257.09140	15.2
261.16870	5.2
267.07590	16.2
271.10736	20.5
275.10086	1.6
281.09134	22.3
283.10626	1.7
285.08609	7.0
286.09406	1.6
289.11819	7.1
291.68677	1.2
293.08972	2.0
297.08682	1.7
299.06921	1.9
299.10214	48.1
301.11636	1.5
309.08646	39.2
311.10132	5.7
317.11240	5.4
327.09702	69.9
329.11176	6.2
337.08124	4.2
345.10776	74.4
355.09094	7.5
373.10214	53.0
387.11740	6.6
405.12857	100.0
406.13129	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	567.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.8
55.05495	2.8
57.03418	7.3
61.02912	2.1
67.05479	7.2
69.03426	13.4
69.07059	1.4
70.06589	10.5
71.04980	7.3
71.21736	1.2
72.20665	1.0
73.02904	2.3
73.43626	1.3
81.03395	8.1
81.07013	2.0
85.02425	2.0
85.02895	44.6
85.06524	4.9
86.03210	1.8
86.09689	1.2
87.04454	2.4
91.05464	4.7
93.07030	4.8
95.04942	5.1
96.60880	1.2
97.02864	13.9
97.06514	1.2
98.03172	1.2
99.04439	14.4
100.04768	1.3
103.03925	28.6
104.04279	1.4
104.05307	1.7
105.07012	13.9
107.04932	1.6
107.08569	7.3
108.08105	1.9
109.02866	8.8
109.06487	2.9
109.10152	5.3
116.88419	1.2
119.08597	8.9
120.08918	1.3
121.02849	1.5
121.06495	2.7
121.10136	1.6
123.08064	5.9
127.03906	33.6
128.04231	5.3
133.10092	5.4
137.05992	6.2
137.09595	7.6
138.91263	1.1
145.04947	14.6
145.10054	2.4
147.04372	1.8
147.07988	1.7
147.11688	1.5
149.05966	1.4
151.07532	4.8
155.10637	3.0
161.13200	2.7
163.03831	1.7
163.05975	13.5
163.11110	4.4
165.01788	2.0
177.12679	1.3
181.12062	1.1
189.10190	1.7
189.12735	8.0
190.13283	1.5
191.03371	2.0
195.02878	7.8
195.13762	1.7
197.07083	4.7
199.08539	1.4
207.02823	1.2
207.13774	15.7
208.14085	6.1
209.00398	1.3
209.15216	1.2
211.08646	7.7
213.10205	2.1
216.24905	1.4
219.02843	2.8
225.06528	18.1
225.10223	6.2
225.14822	2.7
227.08150	2.1
227.11749	4.8
228.10306	1.7
229.09637	1.5
239.08110	27.4
243.07616	2.3
245.10339	1.9
245.12827	48.0
253.06122	1.1
253.07127	1.5
253.09676	21.0
255.07619	5.1
255.11188	6.1
257.05453	2.0
257.09186	10.8
263.08429	1.1
263.11743	1.2
267.07510	13.0
268.08289	1.3
271.10660	14.7
273.08344	2.0
281.09131	23.0
283.10706	4.7
285.08496	5.4
289.11713	4.9
293.09070	5.8
297.08527	2.0
299.06842	2.8
299.10226	45.1
307.10202	7.5
308.10452	2.8
309.08670	35.7
311.10278	9.4
315.08072	1.3
317.11139	6.8
327.09686	63.2
329.11331	5.1
337.08224	2.1
345.10745	73.4
355.09213	9.2
373.10266	65.7
387.11813	4.5
405.12869	100.0
487.82526	1.4
550.25568	2.3
566.27020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05504	26.5
57.03427	25.4
57.07066	4.3
61.02917	5.5
67.05489	68.6
69.03409	9.1
69.07052	26.7
71.05016	4.9
71.08608	21.9
73.02926	2.6
79.05474	54.1
81.03384	17.0
81.07032	90.9
81.07479	4.3
83.04971	16.7
83.08595	22.5
85.02877	11.4
85.06546	5.2
85.10176	4.0
91.05466	36.2
93.07016	74.1
95.04958	15.0
95.08588	35.9
97.02855	5.7
97.06526	14.5
97.10160	10.5
99.08020	18.7
101.51315	2.1
105.07000	29.4
107.04895	4.7
107.08561	37.1
109.02831	2.9
109.10149	15.3
111.08064	9.4
113.09643	4.8
117.07000	14.1
119.08575	13.2
121.06488	4.8
121.10100	20.7
123.08084	4.0
125.09547	7.6
127.03840	2.8
131.08546	16.5
132.60635	2.6
133.10107	17.7
134.18307	2.2
135.08055	3.3
135.11676	14.7
141.12706	2.5
145.10126	5.3
147.11670	5.5
149.00862	2.7
149.13232	29.7
151.11185	14.0
157.10150	3.2
159.11679	20.9
161.13263	13.1
163.11198	5.2
165.12744	14.2
173.11705	4.3
177.12730	21.2
179.14337	9.6
195.13783	9.6
227.12712	4.1
251.16481	4.9
259.20490	9.6
269.17395	100.0
277.21436	18.5
295.22684	15.9
308.35587	2.6
310.68115	2.6
342.77972	2.7
351.25195	37.0
369.26260	20.8
498.37753	2.4
567.31128	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	567.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01862	3.5
55.05499	1.1
57.03431	4.0
61.02914	3.3
67.05489	4.5
69.03410	6.8
70.06572	5.2
71.04974	3.3
71.12030	0.5
73.02892	0.9
79.05462	2.6
81.03391	5.0
81.07056	3.6
83.04959	0.8
85.02888	25.6
85.06533	2.5
86.03214	0.8
91.05457	3.3
93.07040	3.1
95.04932	3.0
95.08588	1.0
97.02867	10.5
97.06519	1.4
98.03204	0.8
99.04431	9.2
100.04744	0.8
103.03918	18.6
104.04243	1.3
105.07013	6.5
107.04912	0.7
107.08569	5.0
108.08119	1.3
108.67581	0.7
109.02870	4.4
109.06505	2.6
109.10136	3.6
111.04414	1.2
117.06999	0.7
119.04950	1.2
119.08571	5.3
121.06469	1.0
121.10112	2.8
123.08050	2.9
123.11633	0.8
127.03893	21.7
128.04216	2.7
131.08546	1.4
133.06564	0.6
133.10088	3.3
133.61140	0.7
135.08026	1.2
135.11615	0.8
137.05954	4.3
137.09592	5.3
145.04924	9.4
145.10106	1.0
147.04387	2.6
147.11627	1.3
152.08008	0.7
155.10718	1.0
159.11697	0.8
161.13206	0.9
161.57455	0.7
163.05969	7.4
163.07283	1.0
163.11110	1.4
165.60593	0.6
178.05083	0.6
182.09630	0.8
183.02879	1.5
185.10716	0.9
189.10258	2.6
189.12737	2.5
191.03384	1.1
195.02896	5.2
195.13759	1.2
197.07059	5.7
199.08669	2.7
202.08574	2.6
202.11171	0.9
207.13782	9.3
208.14172	4.1
211.08647	5.2
213.10211	3.3
216.10205	0.9
219.02859	3.4
225.06551	15.4
225.10068	8.2
225.14767	0.8
226.07240	1.0
227.08051	2.9
227.11739	3.7
228.10205	2.4
229.09705	0.9
237.10416	1.2
239.04568	1.1
239.08122	23.6
240.08984	1.1
241.09689	1.2
243.07611	3.6
245.12784	41.2
245.45128	0.7
253.05975	1.4
253.09663	21.9
255.07556	3.0
255.11298	5.1
257.05463	1.6
257.09137	13.0
259.10864	0.9
261.03900	1.3
263.08142	0.7
267.07565	15.7
269.09216	1.1
271.07660	1.7
271.10696	16.7
273.08505	0.8
275.10345	0.8
281.06027	1.4
281.09158	21.2
283.10733	3.0
285.08603	4.8
289.11783	6.1
293.09177	4.2
297.08664	1.4
299.06650	3.2
299.10159	35.4
301.11740	1.6
307.10144	4.6
308.10776	1.0
309.08633	31.5
309.12198	1.0
311.10138	8.6
317.11230	5.4
327.06610	0.7
327.09665	61.3
329.11298	7.4
337.08112	5.0
345.10742	65.2
355.09125	8.0
373.10229	60.7
374.10764	0.7
387.11841	5.7
405.12842	100.0
435.12314	0.9
492.17673	0.7
511.09616	0.7
549.24896	1.0
550.25562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05504	26.5
57.03427	25.4
57.07066	4.3
61.02917	5.5
67.05489	68.6
69.03409	9.1
69.07052	26.7
71.05016	4.9
71.08608	21.9
73.02926	2.6
79.05474	54.1
81.03384	17.0
81.07032	90.9
81.07479	4.3
83.04971	16.7
83.08595	22.5
85.02877	11.4
85.06546	5.2
85.10176	4.0
91.05466	36.2
93.07016	74.1
95.04958	15.0
95.08588	35.9
97.02855	5.7
97.06526	14.5
97.10160	10.5
99.08020	18.7
101.51315	2.1
105.07000	29.4
107.04895	4.7
107.08561	37.1
109.02831	2.9
109.10149	15.3
111.08064	9.4
113.09643	4.8
117.07000	14.1
119.08575	13.2
121.06488	4.8
121.10100	20.7
123.08084	4.0
125.09547	7.6
127.03840	2.8
131.08546	16.5
132.60635	2.6
133.10107	17.7
134.18307	2.2
135.08055	3.3
135.11676	14.7
141.12706	2.5
145.10126	5.3
147.11670	5.5
149.00862	2.7
149.13232	29.7
151.11185	14.0
157.10150	3.2
159.11679	20.9
161.13263	13.1
163.11198	5.2
165.12744	14.2
173.11705	4.3
177.12730	21.2
179.14337	9.6
195.13783	9.6
227.12712	4.1
251.16481	4.9
259.20490	9.6
269.17395	100.0
277.21436	18.5
295.22684	15.9
308.35587	2.6
310.68115	2.6
342.77972	2.7
351.25195	37.0
369.26260	20.8
498.37753	2.4
567.31128	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	566.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.2
55.01866	2.8
55.05505	47.8
57.03414	6.9
59.04990	2.5
61.02913	2.2
67.05494	10.3
69.03418	19.6
69.07056	35.6
70.06590	1.7
71.04981	14.7
73.02906	2.4
79.05486	7.6
81.03405	19.9
81.07031	10.8
83.04969	38.4
85.02888	65.5
87.04448	6.2
88.11430	1.1
91.05453	12.9
93.07037	21.6
95.04950	39.6
95.08587	17.7
97.02880	30.3
97.06515	7.5
99.04440	100.0
103.03924	68.9
103.05413	1.8
105.07027	24.5
107.04948	2.9
107.08582	25.5
109.02872	17.8
109.06503	20.6
109.10155	16.4
111.08056	7.7
116.79836	1.1
117.07010	3.1
119.08570	22.0
121.06481	8.2
121.10133	12.5
122.64819	1.2
123.08065	10.1
123.11661	2.7
125.09592	2.6
127.03894	70.7
129.06998	1.5
131.04868	2.0
131.08551	23.2
133.06508	1.9
133.10092	8.5
135.11676	8.3
137.05911	2.5
137.09599	74.2
143.08524	2.8
144.09344	1.9
145.04941	27.7
145.10078	9.2
147.04446	1.5
147.08032	2.0
147.11690	5.6
148.05191	1.9
149.09602	75.3
151.07565	1.9
153.09145	2.3
153.12733	45.5
156.31218	1.4
159.11646	19.1
161.13287	10.5
162.06795	1.5
163.05981	16.9
163.11143	5.0
165.12717	2.2
167.10660	7.6
169.04933	1.3
171.11633	2.1
177.12712	7.6
179.10530	1.5
181.12308	1.4
187.05971	2.4
189.12692	9.8
195.13768	82.3
207.10188	4.4
207.13774	39.0
208.95108	1.2
225.14825	97.6
289.09308	1.6
307.10190	8.1
346.04318	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04879	3.7
55.01865	29.6
55.05503	38.6
57.03420	9.9
57.07056	9.7
59.11250	3.7
65.53971	3.7
67.05495	59.2
69.07067	22.2
71.08615	19.2
79.05465	39.2
81.03426	9.3
81.07034	63.4
83.04971	17.6
83.08629	32.0
85.02905	7.0
85.06525	4.7
85.10164	8.1
91.05455	42.8
93.07030	42.7
95.04936	18.4
95.08593	45.6
97.06508	8.8
97.10168	16.4
99.08075	10.0
105.07005	32.8
107.08575	22.5
109.06494	7.9
109.10147	19.7
110.70331	4.5
111.08070	56.7
113.09634	8.7
117.06984	6.6
119.08563	20.8
121.10127	21.7
123.08091	5.0
123.11655	6.2
125.09670	4.9
131.08498	7.7
133.10121	24.3
135.11644	16.9
139.11163	7.4
145.10129	8.3
147.11681	27.8
149.09647	6.7
149.13280	8.5
150.74599	4.2
150.75755	4.8
151.11180	22.0
157.10051	6.1
159.86575	4.2
163.11157	8.2
165.12744	19.8
179.14294	9.4
206.04276	3.7
235.51067	5.4
241.19333	4.3
249.22145	8.5
259.20624	6.3
277.21652	67.3
295.22623	22.1
351.25220	100.0
357.49710	4.4
369.26221	89.1
394.02325	4.5
420.43271	4.2
421.25760	9.5
426.83209	5.4
449.60568	5.1
503.75470	5.5
567.27368	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
57.03433	7.4
61.02913	3.0
64.21901	0.5
69.03407	5.0
71.62204	0.5
73.02897	2.4
75.04455	1.4
79.05486	0.7
81.03401	2.6
85.02416	1.1
85.02892	17.5
85.03370	1.0
89.60497	0.5
91.05471	2.8
97.02856	6.0
99.04459	1.1
103.03928	4.3
103.05450	6.8
105.07029	0.8
107.04948	2.6
109.02850	1.2
115.05445	5.9
117.06999	4.1
119.04887	4.2
127.03880	1.3
128.06198	3.0
129.07007	3.8
131.04901	24.6
133.06485	3.4
137.05959	11.1
139.05421	0.9
141.06999	2.8
142.35020	0.6
143.04889	4.3
143.08531	5.1
144.05653	1.4
145.04939	0.9
145.06502	5.5
146.03639	3.3
147.04396	5.1
147.08031	0.9
148.05182	3.2
149.05981	3.1
150.06770	0.7
151.03905	1.0
151.07555	1.1
152.06201	1.1
153.06976	6.5
155.08548	1.0
156.05688	5.3
157.06468	4.6
157.07655	0.6
158.07231	0.9
159.04358	1.1
159.08037	0.7
160.05167	15.2
161.05951	17.0
162.06772	0.7
163.06212	1.1
163.07515	15.4
165.06940	0.7
167.04929	3.5
168.05682	1.4
169.06468	3.2
170.07370	0.6
171.08009	11.6
172.05188	0.8
173.06004	3.0
173.54509	0.8
174.06728	4.6
175.03943	5.4
175.07513	43.8
176.04657	0.9
177.09113	3.6
179.07045	1.1
179.63222	0.6
180.05663	0.9
181.06450	19.6
182.07204	1.4
183.08083	0.9
184.05202	9.6
185.05864	2.0
187.07515	13.0
189.05431	2.3
189.09067	4.8
190.06215	1.2
190.85017	0.7
191.07040	0.9
192.04179	0.7
193.08507	1.3
194.05733	3.2
195.08083	4.5
197.05963	2.6
198.06737	3.8
199.07516	100.0
200.08034	0.7
201.09102	1.2
202.06178	8.0
203.07068	2.3
203.10732	0.9
205.08617	3.7
207.06520	10.9
207.10098	0.7
209.06007	1.2
209.09657	0.8
211.07556	3.8
213.09076	16.6
214.06320	0.8
215.07077	2.6
217.08553	28.1
223.07527	2.4
225.07405	1.2
226.06253	2.7
229.08577	3.0
231.10136	1.1
233.07986	0.9
235.09651	1.0
237.09119	1.2
237.11269	1.3
241.08530	11.6
249.11243	3.3
255.10133	2.7
259.09641	4.9
273.11139	10.5
277.10803	1.2
285.11209	1.2
291.12241	17.0
297.11267	1.2
315.12112	1.0
321.13382	2.4
333.13312	5.8
351.14145	4.9
369.15433	25.4
387.16217	0.7
412.82043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20956	0.2
53.03946	0.3
53.67793	0.2
55.01852	0.6
57.03410	1.6
61.02913	2.6
65.03910	0.4
66.09531	0.2
69.03415	2.9
69.23494	0.2
71.04963	0.4
71.39796	0.2
73.02885	0.5
73.70061	0.2
76.03154	0.2
79.05483	0.3
81.03394	1.5
85.02893	11.8
87.04473	0.2
88.58327	0.3
90.45329	0.2
91.03943	0.6
91.05461	13.8
91.90830	0.2
93.06992	0.3
95.04946	0.4
97.02885	3.6
99.04427	0.4
103.05459	1.9
105.03396	0.3
105.07011	1.2
107.04926	0.6
109.02863	0.5
115.05412	0.5
117.07014	0.4
118.04119	0.6
119.04916	33.9
120.08128	0.3
121.02825	0.3
121.06411	0.4
123.04263	0.3
127.03854	2.3
129.06931	0.4
131.04910	3.5
132.02092	0.5
133.06534	0.4
135.04362	0.3
136.05185	0.3
136.60533	0.3
137.05940	2.0
143.08551	0.6
144.30385	0.3
145.02777	0.4
145.04942	1.9
145.06482	0.5
145.10117	0.5
146.03606	0.4
147.04387	33.0
147.11684	0.4
148.05150	1.1
149.02341	0.5
151.03891	0.6
153.05493	0.3
157.03926	2.7
157.06473	0.5
160.05165	1.4
161.05952	1.3
161.09541	0.2
162.02913	0.3
163.03842	0.4
163.06107	0.4
163.07477	2.4
163.62289	0.3
164.04657	2.0
169.06319	0.4
171.07915	0.4
173.05855	0.4
174.02995	0.5
174.06747	0.4
175.03868	56.9
175.07265	3.4
176.04515	0.4
177.01793	0.5
177.05420	0.5
177.09081	0.3
179.06969	3.4
181.06490	1.4
184.05080	0.5
187.07498	1.2
189.09106	0.6
189.12695	0.5
192.04135	17.2
199.07506	4.6
201.08968	0.3
202.06258	0.4
205.08466	0.3
207.06493	100.0
213.09138	0.6
215.06946	0.5
217.08545	1.8
225.07527	39.0
229.08601	0.3
237.11087	0.5
241.08470	0.5
257.36893	0.3
259.09637	0.5
273.11304	0.4
291.12030	1.1
333.13071	0.4
351.14301	1.5
369.11597	1.0
369.15469	1.4
404.22491	0.3
571.94727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24131	0.4
53.03930	0.7
55.01859	1.0
57.03428	6.8
59.04420	0.5
61.02908	3.0
63.83627	0.6
69.03418	4.3
71.04976	0.6
73.02894	2.6
74.28715	0.5
75.04459	3.2
77.48717	0.5
77.83173	0.5
81.03393	3.3
83.04945	0.5
85.02888	11.3
91.05430	1.0
92.08663	0.6
92.69963	0.5
97.02872	5.2
97.17039	0.6
99.04401	0.6
102.11436	0.6
103.03920	5.6
103.05444	6.1
105.06992	1.0
107.04943	0.9
109.02866	0.8
115.05419	5.0
117.07017	4.6
127.03891	0.7
127.23438	0.8
128.06181	3.2
129.06999	3.8
131.04901	24.2
133.06445	2.5
137.05945	10.0
139.05389	2.4
141.06934	3.5
143.04904	3.7
143.08549	4.5
144.05656	1.2
145.05045	0.7
145.06448	6.4
146.03593	2.3
147.04346	3.4
147.08035	1.4
148.05190	1.3
149.04366	2.3
150.06720	0.8
151.03854	1.1
151.07523	0.9
153.06917	7.1
155.06093	0.7
155.08594	0.7
156.05679	6.6
157.06468	6.4
160.05174	14.4
161.05937	15.4
162.06729	1.0
163.07503	18.0
164.08308	1.3
167.04871	3.0
168.05653	2.4
169.06479	4.8
170.07300	0.8
171.07997	11.3
172.05222	0.9
173.05937	3.2
174.06766	6.9
175.07498	44.1
177.09084	3.4
179.07004	1.1
181.06445	19.2
182.07198	0.8
183.07982	1.2
184.05185	10.1
185.05862	2.5
185.09756	0.7
187.07475	12.9
189.09085	5.9
190.06195	1.0
191.06998	0.9
193.08542	1.3
195.08037	2.8
197.05939	4.3
198.06680	3.1
199.07509	100.0
201.09094	3.0
202.06244	6.3
203.07007	3.1
205.08568	4.1
205.57253	0.6
207.06442	1.5
210.06590	0.9
211.07544	3.5
212.08331	0.9
213.09074	16.7
214.06238	1.1
215.06992	1.3
216.07770	0.7
217.08563	29.2
223.07437	1.3
225.09044	0.7
226.06134	1.0
227.06982	1.0
229.08546	4.6
231.10101	2.8
237.08971	2.2
237.11147	2.0
241.08539	9.0
249.11133	3.4
255.09982	2.4
259.09604	5.0
273.11163	10.8
277.10757	1.0
279.12180	1.3
280.01184	0.7
285.11053	0.8
291.12198	18.8
297.11090	2.5
300.33694	0.6
303.11957	0.9
315.12042	1.0
316.91342	0.7
333.13132	2.3
351.14240	3.6
369.10999	1.4
369.15369	27.5
387.16333	1.2
432.91638	0.6
449.27390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
54.81486	0.4
55.01861	0.6
57.03406	1.0
59.75565	0.5
61.02901	0.9
64.38913	0.4
67.05495	0.4
69.03420	5.3
70.06556	0.8
71.04958	0.5
73.02892	1.1
75.67893	0.5
81.03395	2.2
84.08118	0.6
85.02425	0.8
85.02890	16.2
85.76041	0.4
86.09673	0.5
87.04455	15.2
91.03913	0.6
91.05463	14.2
93.06998	1.2
95.08547	0.5
97.02876	5.0
99.04429	1.1
103.03896	0.6
103.05454	1.2
105.05488	2.5
105.07007	5.0
107.04893	0.6
107.08556	2.4
109.02845	2.3
117.07018	0.6
119.04916	24.5
119.08537	3.2
121.06448	1.3
121.10098	2.1
127.03909	4.2
131.04898	7.3
131.08537	1.0
132.02026	2.5
133.02829	0.8
133.10107	1.0
135.04326	0.6
135.11682	1.1
136.05133	1.1
137.05931	6.7
143.08536	0.7
145.02834	0.7
145.04930	3.7
145.10098	3.6
146.03650	0.8
147.04398	28.6
147.11649	2.5
148.05249	0.7
149.02327	0.6
149.05920	0.5
149.09618	0.8
151.07515	1.3
157.03954	1.2
160.01517	6.8
161.13210	0.8
162.03157	1.2
163.06087	1.0
163.07520	4.1
163.11072	3.9
164.04681	3.8
171.11635	0.7
173.13300	0.7
173.51349	0.5
175.03871	64.2
178.02563	3.4
179.07024	7.4
189.05486	1.1
189.09131	0.5
189.12646	3.9
191.14224	1.8
192.04156	8.9
193.04922	2.1
199.07457	1.0
201.00858	0.6
207.06500	100.0
207.13847	2.8
207.92094	0.5
208.06827	0.8
224.16473	1.1
225.07539	32.0
225.14807	1.2
248.19501	0.6
249.09624	1.9
351.10513	0.8
351.14438	0.8
369.11609	0.9
369.98389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.02834	1.1
57.07074	6.6
61.94967	1.3
67.05495	17.1
69.07056	1.6
71.08614	2.0
73.58794	1.3
81.07043	2.5
95.08585	5.3
98.98412	1.4
105.07056	1.3
109.10106	11.9
117.89014	1.4
129.94296	1.5
177.34352	1.4
238.19238	1.2
290.27469	1.4
467.37170	15.1
565.44305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01851	0.6
56.55835	0.2
57.03410	1.8
57.13000	0.2
58.67611	0.2
59.52383	0.2
61.02907	2.2
62.74506	0.3
65.03902	0.3
69.03414	3.6
71.04948	0.3
73.02884	1.1
75.98566	0.2
81.03394	1.7
85.02892	12.1
89.03876	0.3
91.03938	0.5
91.05463	15.6
93.06963	0.3
95.04942	0.6
97.02857	5.4
99.04430	0.6
100.70120	0.3
103.05449	2.5
105.03371	0.3
105.06962	0.6
107.04906	1.4
109.02860	1.3
114.49274	0.3
117.03358	0.3
117.06979	0.5
118.04145	1.2
119.04919	30.2
119.08541	0.3
121.02771	0.3
121.06445	0.3
123.04425	0.3
127.03886	3.1
129.03375	0.3
129.06944	0.5
131.04887	3.3
131.08539	0.4
132.02031	0.5
133.02797	0.4
133.06445	1.3
137.05946	2.6
143.04909	0.4
145.02814	1.3
145.04924	1.9
145.06441	0.3
146.03613	0.6
147.04388	32.1
148.05128	0.7
149.02368	1.1
149.05966	0.3
151.03885	1.1
153.05457	0.5
157.02875	0.3
157.03973	3.2
157.06424	1.3
160.05115	1.5
161.05963	1.2
163.03824	0.4
163.07471	2.1
164.04625	2.1
171.08002	1.1
173.05902	0.3
174.03099	1.3
174.06631	0.5
174.44366	0.3
175.03868	57.6
175.07326	3.4
177.01773	0.4
177.05402	1.1
177.09149	0.4
179.07022	3.3
180.08653	0.3
181.06432	1.1
184.05083	0.4
185.05884	0.4
187.07507	1.3
189.05431	0.4
189.09071	1.3
189.12668	1.4
192.04135	17.1
193.08647	0.3
196.09058	0.3
199.07541	5.4
201.09283	0.3
203.07034	0.6
205.08577	0.4
207.06496	100.0
208.06841	1.0
213.09024	1.4
215.06943	0.5
217.08566	1.7
223.12886	0.3
225.07529	36.3
229.08585	0.5
241.08452	0.6
259.09653	0.4
273.11133	0.5
280.21387	0.4
291.12250	0.6
333.13474	0.4
351.14401	1.4
369.11575	1.0
369.15607	2.0
521.46588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1546
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
52.99874	0.3
53.02589	0.4
57.03403	0.6
68.99753	0.7
69.03412	4.2
79.01801	1.0
81.03397	1.1
85.02898	3.7
85.03293	0.5
87.04439	0.6
91.05433	0.5
97.02849	0.9
99.04411	0.7
103.03926	1.7
109.02837	2.0
119.04893	2.2
121.02835	19.6
123.91212	0.5
127.03864	1.9
137.05922	1.0
145.02792	1.0
145.04861	0.7
147.04309	0.5
163.03880	1.0
164.21169	0.5
165.01816	2.3
171.02742	0.6
183.02788	1.1
188.66765	0.5
189.05414	0.6
191.03369	1.2
195.02879	1.8
197.05959	0.6
199.04005	0.5
213.05432	2.5
217.04916	4.4
219.02661	0.6
227.06944	0.7
243.02853	1.1
243.06483	1.9
255.06476	3.9
256.07281	7.0
259.05994	2.9
261.03836	2.1
267.06598	0.9
271.05930	11.8
281.08032	0.9
283.05945	64.6
284.06705	44.2
285.07413	2.5
295.05951	15.6
297.07501	16.8
308.06784	2.4
309.07492	6.0
311.05539	2.6
313.06995	100.0
314.07465	0.9
323.05478	1.7
323.09030	18.0
325.06952	4.5
327.08835	1.2
327.12396	0.5
333.07700	0.6
337.06961	18.3
339.08786	0.5
343.08115	5.9
349.07001	0.9
351.08566	6.1
355.08160	2.4
367.08008	9.8
379.08032	8.2
397.09082	19.7
415.10172	17.0
433.11197	58.3
445.11566	0.7
508.89618	0.7
565.15356	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	565.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38503	0.7
62.32301	0.6
67.05461	0.7
69.07031	0.8
69.71176	0.6
79.05477	1.3
81.03368	0.9
81.07026	1.3
85.78380	0.7
91.05452	1.0
95.04935	1.0
105.06993	0.8
105.08686	0.7
114.75570	0.7
119.08549	0.9
133.06543	0.8
137.05997	3.5
151.07542	1.1
153.01788	7.4
159.04112	8.7
171.02872	3.2
179.03429	0.9
203.06735	1.0
204.07613	1.3
207.97235	0.8
217.08400	1.7
230.09088	1.7
362.98410	0.7
367.15176	3.4
385.12753	1.3
386.13046	3.6
507.26068	0.9
565.24017	100.0
566.23901	1.5
576.93701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38503	0.7
62.32301	0.6
67.05461	0.7
69.07031	0.8
69.71176	0.6
79.05477	1.3
81.03368	0.9
81.07026	1.3
85.78380	0.7
91.05452	1.0
95.04935	1.0
105.06993	0.8
105.08686	0.7
114.75570	0.7
119.08549	0.9
133.06543	0.8
137.05997	3.5
151.07542	1.1
153.01788	7.4
159.04112	8.7
171.02872	3.2
179.03429	0.9
203.06735	1.0
204.07613	1.3
207.97235	0.8
217.08400	1.7
230.09088	1.7
362.98410	0.7
367.15176	3.4
385.12753	1.3
386.13046	3.6
507.26068	0.9
565.24017	100.0
566.23901	1.5
576.93701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77301	2.6
54.81700	3.5
55.05508	28.6
57.03431	25.6
57.03671	2.7
57.07046	5.1
57.72332	3.4
59.24567	2.9
62.51992	2.7
67.05493	100.0
69.07056	23.4
79.05472	70.8
81.07042	95.3
83.04958	4.5
83.08604	21.0
85.06545	3.9
91.05468	23.5
93.07023	98.5
95.04937	5.7
95.08584	51.3
97.06499	6.4
97.64168	3.5
105.07018	23.2
107.08589	42.5
109.10108	15.0
119.08555	7.4
121.10101	29.9
129.63118	3.5
131.08560	7.6
133.10121	13.5
133.24603	3.4
135.11658	18.5
147.11743	4.2
149.13210	15.7
159.11647	13.9
159.13132	3.6
201.53461	4.4
237.85809	3.2
261.22171	4.3
269.17422	51.3
298.36325	4.1
335.25705	65.6
379.24765	4.1
455.97562	3.7
529.38898	87.7
533.06061	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.8
55.05294	1.2
55.05505	18.0
57.03420	5.9
61.02907	3.1
67.05488	22.8
67.38696	1.2
69.03426	2.6
69.07058	14.0
71.04958	1.3
71.08612	15.7
76.56127	1.4
79.05472	14.4
81.03403	13.3
81.07035	18.9
83.04964	5.8
83.08593	9.0
85.02881	3.1
85.06545	2.2
91.05444	12.2
93.07013	11.6
95.04952	10.5
95.08578	8.8
97.10156	7.2
99.08088	11.3
105.07001	8.8
107.04932	3.3
107.08545	11.1
109.06499	6.1
109.10137	8.2
117.06984	1.8
119.08556	7.0
121.06478	7.8
121.10142	2.7
122.93532	1.6
125.09587	3.1
131.08507	2.4
133.10121	8.9
135.08069	1.6
135.11690	2.0
137.09601	1.7
145.10110	2.3
147.11618	2.5
149.09605	1.8
151.11127	2.4
157.10069	1.5
164.11954	1.5
165.12802	2.4
193.12247	6.1
211.13356	2.2
211.26677	1.4
267.15887	2.5
275.19980	8.3
285.16928	8.9
293.21063	100.0
367.24731	73.1
461.28671	1.7
529.29779	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.6
53.03934	2.9
53.04284	0.5
55.01860	7.5
55.05230	0.7
55.05500	18.6
57.03423	7.8
57.07064	1.3
61.02903	4.7
63.97518	0.5
65.03932	1.0
67.05490	37.3
69.03404	3.1
69.07047	19.7
70.68007	0.5
71.04974	4.8
73.02895	0.9
76.55599	0.5
79.04994	0.7
79.05470	38.1
81.03391	10.1
81.07035	100.0
83.04964	7.1
83.08598	16.9
85.02892	7.7
85.06522	3.4
91.03962	0.5
91.04881	1.1
91.05457	30.6
93.07020	28.6
95.04942	14.5
95.08576	28.7
97.02869	3.8
97.06505	8.8
97.10157	2.7
99.04436	1.2
99.08088	2.4
105.07008	30.4
107.04932	11.8
107.08573	19.9
109.02845	1.2
109.06496	34.5
109.10136	12.5
111.04433	1.0
111.08064	4.9
115.05437	0.6
117.06995	9.5
119.08553	28.2
121.06476	6.9
121.10110	17.8
123.08041	8.9
123.11658	5.5
125.09579	2.5
127.03887	4.1
127.07433	0.7
128.06183	0.7
129.06970	4.0
131.08553	15.8
133.06473	2.9
133.09195	0.8
133.10098	22.0
134.73631	0.5
135.08018	5.4
135.11650	7.2
137.09599	5.7
137.13220	1.3
139.11201	1.0
141.06941	2.0
143.08548	3.3
144.09404	0.6
145.06519	1.3
145.10100	13.1
147.08008	3.7
147.11668	19.3
149.09590	11.0
149.13219	7.8
151.11174	2.8
155.08519	1.9
157.10115	5.6
159.08005	1.0
159.11656	9.3
161.09572	1.8
161.13229	3.0
163.11119	7.4
163.14809	2.2
165.12738	4.7
167.96445	0.5
169.10097	2.6
171.11673	2.1
173.09595	1.1
173.11739	0.9
173.13152	5.7
175.11140	5.0
175.14764	0.6
177.12738	2.8
179.14296	1.1
183.11696	2.2
185.13208	1.2
187.11153	1.2
187.14738	1.2
189.12706	1.0
189.45071	0.6
191.14268	0.7
193.12207	4.5
195.13702	0.9
197.13129	1.9
201.12740	1.1
211.13234	3.2
219.13794	0.7
229.14322	1.0
229.19466	2.8
239.17899	2.3
247.20505	5.3
257.18933	3.6
267.15829	2.6
269.17416	0.6
275.19983	45.5
285.16843	2.2
288.01270	0.5
293.21030	10.0
316.24924	0.5
335.21854	1.0
349.23660	72.8
350.23981	1.1
367.24704	52.8
368.24942	0.6
387.81558	0.6
401.23013	5.5
419.24100	11.9
437.25253	8.3
511.28784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01861	1.2
55.05509	1.3
57.03423	1.8
57.29990	0.7
61.02910	4.9
67.05475	1.6
69.03413	13.8
69.07069	1.1
70.06583	1.2
71.04967	6.7
71.73774	0.8
73.02897	4.4
74.16051	0.7
79.05454	1.2
81.03400	16.1
81.07026	1.3
83.04974	3.1
84.08124	1.0
85.02889	73.0
86.06051	1.0
87.04433	1.4
91.05476	3.0
93.07032	3.2
95.04944	3.5
95.08579	4.0
97.02866	30.7
97.06505	4.3
99.04435	54.8
101.02355	1.1
103.03919	94.5
105.07031	4.4
107.04922	1.1
107.08584	5.2
109.02859	19.1
109.03532	1.3
109.06497	1.8
109.10145	1.4
111.04414	0.9
113.05968	0.8
115.03893	1.3
117.07016	1.2
119.08567	3.7
121.06463	2.7
121.10113	1.0
123.04410	0.7
123.08041	3.3
127.03887	100.0
129.06905	0.8
131.08505	1.0
133.10133	2.9
135.07977	1.0
137.06001	5.3
137.09596	6.5
139.07518	1.0
145.04936	36.2
145.10085	2.9
145.29333	0.8
147.04428	1.7
147.08113	1.7
149.05983	0.9
149.09575	1.3
151.11194	1.3
157.10071	1.1
159.11635	1.1
161.09581	3.2
163.05980	34.0
163.11163	4.1
165.09081	3.0
173.13184	1.6
174.71883	0.7
175.11171	1.1
179.10658	7.5
185.06056	0.7
187.05981	1.5
187.11078	1.7
191.03389	3.1
193.80394	0.8
197.11668	1.4
205.07019	1.3
205.10651	0.7
205.12224	6.6
223.13228	10.3
233.04330	1.6
241.14166	8.4
271.08032	6.2
289.09058	3.9
307.10138	15.1
349.16287	1.0
493.20496	1.0
511.21451	0.8
529.22284	0.9
564.21094	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.3
53.03920	2.1
55.01876	14.9
55.05505	42.0
57.03230	1.0
57.03434	18.7
57.07059	2.1
59.04984	1.4
61.02892	6.1
65.03905	1.5
67.05144	2.1
67.05491	57.4
67.05850	2.2
69.03401	9.5
69.07053	44.3
71.04971	5.6
73.02899	2.7
75.49451	1.3
79.05473	66.7
81.03394	12.6
81.07038	66.4
83.04964	14.4
83.08614	21.3
85.02890	13.2
85.06512	2.6
90.45318	1.4
91.03940	2.9
91.05457	49.6
93.07024	57.2
95.04941	24.9
95.08582	37.4
97.02860	7.2
97.06505	23.4
97.10147	28.7
99.04390	1.4
99.07372	1.1
105.07016	51.9
107.04955	14.9
107.08570	69.0
109.06499	7.8
109.10152	15.1
111.04434	2.3
111.08026	5.4
115.05366	1.4
117.07005	21.8
119.08549	36.2
121.06475	6.5
121.10117	17.4
123.08064	2.1
123.11693	3.4
125.09617	23.1
127.03856	2.1
129.07011	6.0
131.08530	27.0
133.10112	32.0
135.08034	8.9
135.11649	16.6
137.05853	1.6
137.09615	2.5
141.06967	3.0
143.00438	1.4
143.08562	5.5
145.10106	25.1
147.08067	1.7
147.11642	19.4
149.09616	22.0
149.13255	6.8
153.01810	21.3
155.08536	2.6
157.10147	5.2
159.11679	19.9
161.09590	1.8
161.13210	6.2
163.03908	2.5
163.11136	15.5
165.09268	1.7
169.10106	3.1
171.02820	5.7
171.10172	2.7
171.11653	5.7
173.11836	2.4
173.13249	7.4
175.11079	2.3
177.12674	10.1
179.03276	2.1
179.14285	5.5
181.12231	1.7
183.11691	2.7
187.11203	2.4
189.11174	9.4
193.12236	1.4
201.12689	1.7
205.12170	2.2
223.13278	5.6
227.12756	15.9
229.14270	5.3
229.19582	2.6
239.17955	5.8
245.13766	3.2
247.20518	2.1
253.17886	1.9
255.15947	12.9
257.18948	15.5
269.17422	21.9
275.20016	41.6
293.21008	6.2
320.97537	1.5
349.23682	100.0
367.24722	29.0
385.12769	15.1
461.71964	1.8
511.28729	2.1
553.27411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03154	0.2
55.01857	0.5
55.05493	0.3
56.93457	0.2
64.33429	0.2
67.01859	3.1
67.05476	0.3
68.99773	1.9
69.03422	2.0
69.03725	0.2
71.05015	0.2
79.05485	0.3
81.03391	0.4
81.07018	0.4
83.01351	0.3
85.02884	1.8
92.77168	0.2
95.04933	0.3
97.02862	1.7
105.07009	0.4
107.53490	0.2
109.02879	0.4
111.00787	0.5
113.05979	0.3
115.05445	0.3
117.06964	0.3
119.08540	0.5
120.22997	0.3
123.04404	1.2
125.02296	0.4
127.03870	1.0
129.06940	0.4
131.04910	0.4
133.06445	0.4
135.04306	0.3
136.21503	0.2
137.05934	1.2
139.03891	5.1
141.05411	0.5
141.06960	0.3
143.08513	1.0
147.04375	1.6
149.05968	0.4
151.03909	0.5
153.01808	100.0
153.41766	0.3
154.02139	0.5
155.03362	0.5
157.06496	0.4
157.10208	0.4
160.05188	2.7
161.05951	7.5
163.03867	1.1
163.47177	0.3
165.01779	0.4
167.08540	0.5
169.04926	1.8
169.17662	0.3
171.02864	7.7
171.04280	0.5
171.07985	1.1
173.05966	0.6
174.06764	0.5
175.07520	1.7
177.01759	0.4
177.05412	0.4
179.03372	1.2
179.26192	0.3
184.07338	0.4
185.05901	0.4
185.09663	0.4
186.06738	1.3
187.07539	1.3
189.09070	7.9
191.10701	0.4
195.02898	0.6
195.08054	0.5
198.06612	0.3
199.07526	0.5
200.74428	0.3
201.08995	0.5
203.10655	0.4
213.09041	1.8
215.10641	2.4
217.08575	3.0
219.02869	1.2
226.06271	0.3
231.10046	1.5
241.08598	0.5
259.09616	7.0
279.06421	2.5
283.09592	2.0
293.07932	0.3
295.05939	6.9
296.06491	0.4
325.10641	23.2
339.12296	2.4
341.10129	1.8
367.11682	4.4
385.12720	4.5
424.18463	0.3
425.18768	0.4
563.28644	0.4
564.28937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
64.65812	0.6
64.91070	0.6
67.01840	1.7
67.05492	0.6
67.08716	0.6
69.03420	1.4
74.93903	0.8
81.03389	0.9
81.07001	1.4
85.02862	3.9
86.09673	1.2
91.05461	1.5
92.09238	1.6
95.08555	1.2
97.02880	1.0
99.04401	1.0
103.03903	0.9
105.07056	1.0
107.04932	0.7
107.08537	1.3
109.02872	1.0
113.05984	0.8
114.38012	0.7
117.05466	1.3
119.04816	0.9
119.08573	1.2
125.12337	0.8
127.03877	1.1
131.04942	1.2
131.08522	1.0
137.05966	6.9
138.06245	1.1
139.03894	8.0
141.05461	1.4
143.08519	0.8
145.10170	0.9
151.03926	1.3
153.01802	100.0
157.06371	0.7
160.05144	2.9
161.05959	9.0
169.04988	1.3
171.02838	8.8
175.07497	1.3
184.07410	1.1
187.07503	1.0
189.09038	9.8
191.10617	0.9
206.62524	0.7
208.18529	0.7
213.09117	1.0
215.10638	1.5
217.08594	3.0
231.10092	1.2
241.08580	1.4
259.09540	6.6
279.06467	1.4
283.09525	1.8
285.12256	3.6
295.06036	5.1
325.10635	24.4
339.12152	3.2
341.10202	1.8
367.11679	4.2
385.12619	4.8
390.04852	0.8
402.23300	0.8
408.19165	1.0
409.19403	1.1
563.28345	1.4
564.28784	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	564.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55180	1.2
51.07780	1.2
53.03942	6.8
55.01849	3.0
55.05504	34.0
61.02910	3.4
67.05497	3.1
69.03419	23.9
69.07058	26.1
70.06583	6.2
71.04985	12.7
72.08151	2.6
73.02907	2.3
79.05458	6.1
81.03403	19.0
81.07030	2.9
83.04965	27.8
85.02889	78.8
85.06551	1.8
86.06043	7.8
87.04459	1.9
91.05448	5.8
93.07037	6.3
94.06541	2.2
95.04939	20.6
95.08568	17.7
95.71272	1.4
97.02873	40.1
97.06583	5.0
99.04436	72.4
99.09153	1.5
102.44479	1.4
103.03927	92.1
105.07034	7.4
107.04925	3.0
107.08581	10.0
109.02856	24.2
109.06516	8.8
109.10148	7.3
110.07146	1.6
111.08079	3.3
112.07598	3.6
119.08549	11.3
121.06486	8.2
121.10117	2.8
123.04416	2.4
123.08044	13.2
127.03888	100.0
131.08531	2.8
135.08052	3.6
135.11705	2.6
137.05962	35.9
137.09573	18.3
137.34410	1.6
145.04948	45.9
145.10104	11.0
147.04388	9.0
147.08058	6.9
149.05954	1.8
153.12750	17.9
154.93222	1.7
159.11678	3.5
162.02090	1.5
163.03929	3.5
163.05991	35.7
163.07361	2.5
163.11145	7.8
165.01839	7.1
165.09097	27.5
176.13951	1.4
177.12608	1.4
179.03362	6.0
179.10635	1.6
181.12173	3.7
183.02859	6.7
187.06039	3.3
191.03357	26.2
195.13754	18.8
205.04982	7.1
205.06874	2.0
205.12256	8.8
209.04411	2.4
223.13268	39.5
233.04411	20.0
241.14395	2.4
246.30722	1.6
271.08191	3.8
285.07623	2.6
289.09268	6.8
307.10181	22.3
311.09061	5.6
353.10214	2.9
366.13385	1.8
384.14456	19.3
546.19812	2.2
564.19635	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59407	0.8
55.05498	1.5
57.03424	0.8
64.34068	0.8
67.05480	4.2
69.03404	0.9
69.07021	1.2
71.04984	1.0
79.05457	3.7
81.03402	1.4
81.07035	5.4
83.04946	1.2
83.08613	1.3
84.04482	1.9
91.05448	4.1
93.07034	4.3
95.04933	5.0
95.08584	1.9
97.10172	1.8
105.07014	3.6
107.08577	1.1
108.01987	0.8
119.08543	1.2
121.10085	1.4
125.09616	0.9
131.08557	3.2
133.10155	1.0
137.05969	3.7
145.10085	1.3
153.01831	1.1
157.10092	0.9
159.04161	1.4
161.09552	0.9
173.13370	1.2
191.10341	0.9
204.07544	16.7
244.93161	0.7
275.19986	1.6
293.21237	2.0
294.21405	1.1
295.48343	0.8
309.85596	0.8
347.22180	1.4
348.22440	1.7
383.24130	1.0
431.70929	1.0
496.15747	0.9
532.06201	1.1
563.22357	100.0
564.23071	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2254
Annotation	ES-242-8
Peak:m/z	Relative Intensity
56.53192	0.4
59.46855	0.5
67.05486	0.6
74.28977	0.4
75.64998	0.4
78.69093	0.4
79.05471	0.5
81.03419	0.6
81.07040	0.8
83.08596	0.5
91.05468	0.5
92.09323	1.3
95.08658	0.6
97.06500	0.4
105.06989	0.6
117.03381	1.1
119.08545	0.7
131.04912	0.5
133.48030	0.5
137.05951	2.2
141.05449	0.6
145.02838	5.5
149.05986	0.5
168.21022	0.4
177.05424	5.3
177.09093	2.2
178.09433	1.8
189.05237	0.5
204.07588	4.4
307.09595	0.5
365.13788	0.6
380.20081	0.8
437.73734	0.5
452.18152	0.6
480.13181	0.5
563.22430	100.0
564.22833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83171	2.0
51.69726	2.3
53.03949	3.2
54.40140	2.1
54.54704	2.3
55.01859	21.4
55.05508	62.1
57.03419	16.9
58.45387	2.3
59.00511	2.6
61.02920	3.6
65.03951	2.7
67.05497	52.1
69.03405	5.9
69.07058	31.4
71.04967	6.5
78.12990	2.5
79.05480	68.8
80.25585	2.5
81.03400	22.3
81.07042	93.6
83.04964	23.2
83.08613	26.8
85.02890	17.1
91.05470	32.2
91.27219	2.7
92.08720	2.8
93.07024	40.0
94.86625	3.3
95.04958	32.4
95.08594	28.9
97.06521	14.5
97.10159	58.0
99.04441	4.7
105.07022	36.5
107.04948	17.5
107.08595	42.7
109.06506	5.8
109.10130	20.8
111.04420	27.9
111.08074	11.5
114.96468	2.6
117.07008	15.6
119.08549	39.6
121.06494	17.4
121.10104	11.6
123.08047	40.1
125.05932	2.6
125.09616	34.4
128.12009	2.9
129.06979	11.8
131.08542	19.1
133.10117	14.1
135.08055	10.7
135.11656	15.2
137.05978	6.1
137.09583	4.3
142.07710	2.9
143.08536	5.1
145.02850	11.4
145.10141	27.2
147.08034	12.3
147.11710	5.2
149.09634	5.2
153.12769	4.6
157.10094	10.8
159.11632	3.2
161.09587	11.8
163.11159	32.8
165.09103	9.6
171.11760	4.1
175.11163	4.1
177.05434	13.8
181.12199	5.8
189.11156	18.9
191.10675	3.3
193.12216	10.5
223.13324	3.8
227.12854	6.4
245.18944	3.3
273.18301	25.2
278.06601	3.8
291.19479	66.9
309.20554	6.5
347.22427	3.1
362.18613	6.1
365.23157	53.1
380.19336	3.5
383.24243	100.0
406.17535	11.0
408.18793	5.1
545.27423	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	563.2098
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
54.81122	0.2
58.26770	0.3
58.59978	0.3
64.32916	0.3
69.03421	0.6
70.06570	0.4
76.92528	0.3
84.08124	0.3
85.02891	0.5
86.09694	0.4
91.05475	0.3
93.07027	0.3
97.02853	0.3
97.28315	0.3
105.07019	0.6
107.04936	0.4
109.22566	0.2
110.07154	0.3
119.08560	0.4
127.03894	0.5
131.04942	0.4
133.06487	0.3
133.10054	0.3
135.90401	0.3
137.05989	1.5
141.38142	0.3
147.11662	0.4
159.04156	4.0
185.04187	0.5
201.03708	0.6
203.33463	0.3
204.07539	0.3
205.08379	0.3
337.12534	1.8
339.35706	0.4
351.10495	1.6
361.28421	0.3
365.12045	2.1
366.12903	4.0
379.13629	0.4
500.90677	0.3
509.28149	0.3
563.20886	100.0
564.21521	1.3
569.22327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86435	0.3
53.15016	0.3
53.67103	0.3
57.03430	0.6
59.31293	0.3
62.01097	0.3
66.08244	0.3
69.03419	0.9
70.06567	0.6
81.03397	0.4
83.04962	0.4
84.95956	0.3
85.02865	2.9
91.05440	0.4
92.08696	0.5
95.04972	0.4
97.02853	1.7
98.97584	0.7
99.04449	1.6
103.03941	0.8
105.07041	0.8
109.02842	0.5
117.78127	0.3
119.08550	0.5
121.06492	0.6
127.03914	2.1
133.06473	1.6
137.05966	3.9
137.06915	0.5
138.23033	0.4
143.29153	0.3
159.04150	3.2
167.47441	0.3
168.89890	0.4
177.05431	0.4
183.10144	0.4
201.03708	0.4
257.13879	0.4
265.24261	0.3
266.08154	0.6
283.19638	0.4
337.12564	2.4
351.10413	1.6
365.12244	0.6
366.12714	4.4
401.15692	0.4
563.20886	100.0
564.21161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2098
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
51.45647	0.3
54.81489	0.4
60.82385	0.4
64.11999	0.4
66.01951	0.3
69.03413	0.4
86.09685	0.4
94.60921	0.4
137.06009	0.4
150.83347	0.4
175.03656	3.5
182.93608	0.5
189.05196	0.6
192.25647	0.4
203.26624	0.4
204.07553	5.5
219.06259	1.6
351.10498	5.0
365.12009	4.8
369.54678	0.4
401.15656	13.6
468.06052	0.4
563.20911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56843	0.6
53.03933	3.1
55.01868	3.6
55.05503	16.3
56.42944	0.6
57.03176	1.1
57.03430	20.2
62.59707	0.8
65.03957	1.1
67.05492	22.8
68.17804	0.7
69.03420	1.9
69.07050	7.1
70.04475	0.8
71.04975	4.5
79.05476	24.2
81.03397	100.0
81.07036	29.1
83.04961	14.3
83.08604	22.6
85.02892	15.3
85.06552	1.1
87.04434	0.9
91.05457	32.9
91.75059	0.7
93.07014	18.2
95.04944	34.2
95.08577	10.2
97.02870	3.7
97.06514	4.1
97.10147	8.1
105.07015	23.2
107.04938	12.9
107.08566	10.6
109.06515	5.0
109.10131	4.3
111.04443	1.9
111.08081	11.0
113.05966	1.0
115.05473	1.7
117.06976	3.1
119.08547	22.1
121.06475	4.4
121.10128	9.9
123.08050	4.0
123.11682	1.4
125.09647	3.3
129.06982	16.6
131.08537	14.3
133.06494	6.2
133.10083	11.9
133.10910	0.9
135.08029	1.1
136.26187	0.7
137.09634	1.8
142.07797	3.9
143.08592	1.2
145.06499	3.8
145.10115	3.7
147.08031	4.8
147.11644	13.1
149.09605	7.7
152.31709	0.8
155.08565	1.0
157.10104	17.5
163.11115	1.1
165.12726	1.7
175.11154	16.2
193.12193	33.3
194.26538	0.8
197.13112	0.8
211.13249	16.9
249.14824	3.1
267.15848	75.5
273.14883	3.6
285.16898	13.9
309.20563	0.8
349.21603	3.6
367.22656	6.7
385.23703	8.6
403.24734	1.5
433.25861	5.5
441.26157	5.2
459.27301	47.9
468.97461	0.8
477.28391	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	562.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	36.6
57.07061	26.3
59.13771	5.8
63.51756	5.3
65.39919	5.4
65.66773	6.1
67.05489	52.1
69.07047	32.4
79.05479	50.6
79.34454	5.7
81.03401	44.0
81.07040	51.2
83.08597	27.3
85.10175	48.8
91.05471	48.5
93.07037	66.4
95.04958	53.1
95.08591	51.5
101.44446	6.6
105.07005	63.2
107.04974	7.6
107.08583	30.8
109.06487	10.1
109.10147	7.5
113.09628	32.4
117.06965	13.0
119.00671	7.2
119.08574	59.2
121.06451	14.4
121.10095	14.7
131.08557	12.8
133.10086	46.0
137.09633	10.0
145.10129	29.3
147.11641	9.9
149.09592	33.1
151.11179	27.5
157.10068	7.2
159.11632	7.2
163.11172	40.7
165.12756	25.2
170.23785	6.1
183.11621	6.8
189.12746	7.0
202.44650	7.1
223.13272	12.3
249.18507	45.8
257.19000	8.7
267.19455	72.2
275.20056	100.0
293.21033	39.8
314.41638	6.5
396.33261	6.8
415.16171	6.5
461.09622	8.5
562.41864	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	563.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85305	1.1
54.81588	1.9
55.05491	1.6
64.14790	1.1
69.03413	1.5
69.07077	1.2
70.04339	1.1
70.06575	3.2
72.08138	2.8
83.04968	1.6
84.04472	1.7
85.02881	7.2
86.09676	1.2
88.09674	1.3
93.07047	1.7
96.61217	1.3
97.02852	2.1
101.65075	1.2
103.03911	1.5
103.05460	1.7
105.07021	2.5
119.08579	1.7
121.10140	1.7
122.06055	1.5
127.03916	2.6
137.05959	14.1
147.04405	2.5
171.61420	1.4
191.03450	1.3
219.46979	1.4
239.12589	1.4
294.25748	1.5
295.05600	1.3
296.64368	1.3
352.21002	2.2
369.23676	2.7
458.85083	1.6
531.18439	5.6
531.29272	2.2
563.18860	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51176	0.3
53.00294	0.5
53.03923	2.5
54.20398	0.4
54.82174	0.4
55.01861	6.8
55.05505	20.7
57.03422	4.3
57.07061	1.0
61.02899	2.3
63.42731	0.4
64.33893	0.4
67.05144	0.8
67.05489	19.7
69.03066	0.6
69.03411	10.3
69.07053	19.7
70.06538	0.4
71.04965	2.2
73.02879	0.6
75.52098	0.4
79.05470	19.2
81.02925	0.8
81.03395	13.6
81.07037	16.6
83.04975	4.5
83.08594	8.1
85.02892	5.3
85.06485	0.6
91.05459	14.3
93.07016	14.9
93.48060	0.4
94.04194	0.5
95.04951	9.4
95.08575	9.3
97.02872	7.3
97.06500	3.0
97.10149	10.4
105.07005	12.5
107.04941	6.0
107.08572	11.0
107.09268	0.4
109.02871	3.0
109.06484	2.6
109.10135	5.5
111.04439	0.9
111.08048	1.8
114.64039	0.3
115.05399	0.5
117.06988	5.7
119.04871	0.8
119.08553	13.1
121.06489	3.4
121.10121	5.0
123.04413	0.4
123.08037	2.8
125.09595	8.3
127.03902	5.6
128.06206	1.0
129.06961	4.2
131.04999	0.5
131.08553	7.3
133.06461	3.3
133.10106	4.1
134.07225	2.3
135.08055	3.7
135.11623	2.0
137.09596	2.5
142.07730	0.5
143.08566	3.3
145.06441	0.8
145.10121	5.2
147.08023	5.9
147.11670	3.4
149.09592	2.7
149.13223	0.7
151.11201	0.5
153.09013	0.5
157.10143	2.9
159.08041	0.9
159.11655	2.2
161.09543	2.8
162.10414	0.9
163.11140	3.1
169.10091	0.5
171.10138	0.5
171.11549	0.8
175.11183	3.4
181.10257	0.4
187.11069	0.7
189.11171	2.6
193.12160	4.1
193.76735	0.4
203.14265	0.5
205.12180	0.7
209.11629	0.6
211.13263	1.0
219.01682	0.5
223.13237	13.5
227.12785	1.9
245.18983	0.9
249.14680	3.1
260.87262	0.4
263.19772	0.4
267.15921	3.1
267.18243	0.4
272.67947	0.4
273.18439	8.1
283.15408	0.7
285.16864	3.6
291.19473	100.0
292.19754	1.9
309.20236	0.5
347.21762	0.6
350.20096	0.5
365.23141	40.9
366.23349	0.6
381.43246	0.4
385.24030	0.5
417.22595	1.7
433.25937	0.5
435.23572	6.2
443.23837	0.6
453.24316	0.6
459.27356	3.3
477.28568	3.5
491.25870	0.6
509.27209	0.8
527.28412	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01871	9.5
55.05505	37.1
57.03426	19.3
61.02904	4.6
67.05148	1.8
67.05489	38.2
67.61668	1.0
69.03406	11.8
69.07050	32.5
71.04967	2.2
79.05474	40.3
81.03399	75.0
81.07037	37.2
83.04956	11.7
83.08602	23.3
85.02886	15.2
85.06525	1.7
89.31319	1.1
91.05460	36.5
93.07023	30.2
95.04941	29.3
95.08570	15.2
97.02873	14.4
97.06503	4.2
97.10148	23.3
99.04372	1.1
105.07012	25.9
107.04935	15.9
107.08579	17.3
109.06512	6.9
109.10144	12.0
111.04366	1.4
111.08091	8.4
113.63515	1.2
115.05392	1.4
117.07003	8.9
119.04885	1.6
119.08553	25.6
121.06473	6.9
121.10104	9.8
123.08030	6.9
125.09589	14.6
128.06226	1.2
129.06970	15.2
131.08542	17.6
133.06438	8.4
133.10098	13.1
135.08006	4.7
135.11607	2.1
137.09578	4.4
142.07741	1.2
143.08549	4.3
145.06525	2.3
145.10065	9.3
147.08040	9.1
147.11658	11.5
149.09592	6.5
149.13228	1.4
157.10085	12.1
159.08069	1.9
159.11636	2.0
161.09628	1.7
175.11069	9.5
189.11151	5.3
193.12195	24.2
199.11133	1.3
211.13271	12.5
223.13300	21.9
227.12683	2.0
249.14789	4.6
267.15860	43.5
273.18423	10.1
285.16907	16.1
291.19485	97.7
339.23553	1.1
347.22162	2.2
349.21719	2.0
365.23172	100.0
367.22440	4.2
385.23544	5.3
406.69089	1.4
433.25757	5.7
459.27359	23.7
477.28387	19.6
527.28534	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	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33755	1.8
53.03932	8.5
55.01857	22.6
55.05505	30.1
57.03433	26.8
57.07048	3.7
57.17648	1.9
61.02920	8.7
67.05491	76.1
69.03416	15.8
69.07052	25.0
71.04974	13.7
73.02902	4.8
76.70502	2.0
79.05474	44.8
81.03403	28.6
81.07043	87.1
83.04955	18.9
83.08608	12.4
85.02885	11.1
85.06541	4.7
87.23729	2.0
87.67012	2.1
89.70349	1.9
91.05461	77.8
93.07032	57.2
94.75645	2.3
95.04951	24.0
95.08591	33.2
97.02876	3.8
97.06506	13.5
97.10163	4.3
99.04449	3.1
102.38230	2.3
105.07012	69.2
107.04943	13.0
107.08582	64.3
109.02850	3.8
109.06504	12.3
109.10144	84.5
111.08070	3.0
116.04673	3.7
117.07008	16.1
119.08564	17.5
121.06490	8.8
121.10138	14.3
123.08018	8.4
123.11702	12.0
125.09625	5.3
127.03943	4.9
127.07521	2.9
129.05458	10.2
129.06993	9.6
131.08514	18.3
133.06474	4.8
133.10106	95.7
135.08046	10.7
135.11691	11.5
137.09604	3.0
143.08559	7.9
145.10144	11.7
147.08089	4.1
147.11708	3.9
149.09583	10.7
151.11150	35.5
157.08669	3.2
157.10045	2.9
159.08075	3.4
161.09593	10.5
163.11189	3.1
163.40051	2.1
169.12193	4.0
175.11188	4.5
177.70476	2.3
179.22836	2.0
189.11310	2.5
227.12773	2.7
245.18956	3.3
253.14297	100.0
267.15961	3.1
269.14072	2.7
271.15414	11.1
273.18408	22.6
291.19550	22.1
301.16418	13.3
341.15887	8.6
347.22076	5.1
365.23145	75.7
402.45480	2.5
421.29446	3.3
429.63083	2.2
435.23883	3.7
527.28583	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	561.303
Annotation	13beta,29-Dihydroxymilbemycin A3
Peak:m/z	Relative Intensity
50.52018	0.2
50.75074	0.2
53.40831	0.3
54.17811	0.2
54.81176	0.3
60.20778	0.3
63.97811	0.2
67.05489	0.7
81.07060	0.6
93.07013	0.5
99.21810	0.3
134.59926	0.3
136.56094	0.3
141.65588	0.3
167.47702	0.4
177.31181	0.3
249.64447	0.4
374.21060	0.3
489.90668	0.3
493.27853	0.4
561.30231	100.0
562.30676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37806	1.3
53.03941	1.3
54.76204	1.4
54.81431	1.5
65.02798	1.3
67.05480	3.3
71.08610	2.0
77.57954	1.5
79.05472	2.7
79.64248	1.6
81.03398	1.8
81.07047	2.9
93.07056	3.6
95.08600	2.1
98.82660	1.8
98.94945	1.6
127.13717	1.6
135.11702	2.3
179.14378	3.2
190.78458	1.6
201.27193	1.6
249.18636	2.0
257.69736	1.9
267.19702	2.6
288.69571	2.1
367.67209	1.9
432.16049	1.8
561.41199	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	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30290	0.9
53.00279	0.9
53.03929	4.3
55.01872	16.4
55.05261	1.4
55.05503	21.1
57.03428	22.1
57.07064	1.5
61.02900	4.5
65.03912	2.4
67.05489	78.3
67.05849	2.7
67.51967	1.0
69.03415	8.7
69.07051	22.6
71.04977	10.6
73.02900	1.2
74.42588	1.0
79.05473	50.6
79.29628	1.1
79.96471	1.1
81.02936	1.3
81.03394	31.3
81.07037	88.8
83.04958	18.5
83.08605	11.2
85.02892	11.2
85.06526	7.7
88.68174	1.0
91.03933	2.6
91.05456	75.3
93.07020	47.0
95.04944	21.6
95.08091	1.4
95.08591	21.7
97.02856	2.5
97.06497	9.9
97.10137	4.1
99.04434	1.5
105.07014	66.8
107.04925	13.6
107.08574	54.2
108.64361	1.4
109.06503	11.2
109.10139	76.4
111.04412	4.5
111.08038	4.3
113.05975	4.4
117.06979	10.3
119.08544	19.8
121.06476	5.9
121.10119	9.1
123.08022	6.6
123.11700	12.9
125.09596	2.6
127.07521	1.5
129.05444	1.5
129.06984	7.8
131.08540	17.4
133.06433	7.2
133.10107	84.6
135.07991	10.8
135.11681	6.7
136.28415	1.4
141.06976	1.4
142.07721	1.5
143.08525	6.4
145.06441	1.6
145.10106	6.6
147.08022	6.1
147.11658	6.1
149.09622	10.6
151.11154	34.8
157.10085	7.5
159.08005	4.4
159.11632	2.2
161.09587	8.6
163.11182	2.1
165.12775	1.3
169.12198	2.2
171.11638	2.8
173.11752	1.2
175.11131	5.2
177.09068	2.1
179.10535	1.2
193.12234	7.0
199.11223	1.1
203.14265	1.4
211.13269	6.2
215.12660	1.9
233.15155	1.3
245.19072	4.3
253.14287	84.6
263.19998	2.2
267.15921	8.6
271.15329	11.9
273.18420	11.4
275.20078	1.2
283.92752	1.1
285.16925	5.8
291.19434	15.8
300.01227	1.2
347.22256	9.7
365.23163	100.0
459.27023	7.2
477.28336	13.7
527.28412	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1944
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
50.16636	0.9
55.00275	0.9
69.03416	2.3
70.06566	2.4
72.08134	1.2
85.02892	2.7
95.08630	1.4
97.02836	1.7
121.06481	1.0
131.04939	2.3
133.78175	1.2
137.05956	7.9
138.06319	1.4
147.04385	7.6
148.05154	1.4
175.03648	1.8
203.29967	1.3
272.31766	1.1
289.88931	1.3
343.54761	1.2
399.13800	1.7
416.64841	1.4
561.19275	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	561.3034
Annotation	13beta,29-Dihydroxymilbemycin A3
Peak:m/z	Relative Intensity
53.94171	0.3
62.82821	0.3
67.05486	1.7
79.05444	0.7
81.07042	0.6
93.07037	0.8
101.99287	0.4
102.24660	0.5
135.04384	1.9
373.55490	0.5
560.29510	0.8
561.30200	100.0
562.31000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.2
55.05493	36.7
57.07041	5.7
61.97920	5.1
62.23403	5.9
64.91917	5.5
67.05485	35.5
69.07039	13.0
71.04980	6.1
73.74092	6.5
79.05489	52.6
81.03384	9.2
81.07022	55.8
83.04967	8.3
83.08597	25.9
87.04484	5.5
91.05470	43.2
93.07034	82.9
95.04941	42.9
95.08585	36.8
105.06996	34.4
106.28758	6.0
107.04939	39.0
107.08617	46.2
109.06534	7.4
109.10152	12.9
113.72147	6.6
117.07008	27.0
119.08551	33.5
121.10113	6.3
123.07994	7.4
125.09647	6.9
131.08546	37.3
133.10069	27.3
135.08009	81.0
145.06511	9.4
145.10104	34.8
149.09619	100.0
155.08482	8.9
157.10092	6.9
159.11684	23.9
163.11191	23.4
169.10072	13.2
177.09023	6.2
183.11748	7.1
187.14833	6.5
195.10062	11.1
211.14915	7.5
229.15845	37.8
247.16870	90.2
265.17932	40.2
288.14273	6.7
302.81104	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	560.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
54.02702	3.1
54.81242	4.8
54.83185	3.3
55.01867	9.9
55.05510	44.6
57.03430	4.7
57.07067	3.5
60.08160	4.0
65.62379	3.7
67.05500	28.5
69.07035	6.0
71.14487	3.5
74.18093	4.2
79.05475	35.0
81.03376	6.0
81.07028	40.7
83.05005	6.4
83.08604	26.0
85.02919	4.6
86.09692	45.2
91.05465	25.9
93.07017	33.0
95.01325	16.7
95.04951	8.8
95.08591	18.5
97.06471	4.8
104.10728	6.9
105.07001	21.2
107.04944	7.1
107.07148	4.2
107.08576	9.7
109.06506	9.6
109.10146	6.4
111.04536	4.1
117.06998	16.5
119.08569	24.0
121.06486	16.9
121.10090	15.9
123.04395	5.9
123.07994	5.7
124.99961	28.5
129.06979	14.8
131.08524	8.4
133.10178	7.2
135.04367	6.5
137.05937	19.6
141.07030	6.3
145.06485	5.7
145.10120	8.1
147.04369	4.7
149.09558	5.6
151.03903	6.0
151.11098	3.8
163.11243	7.0
165.09084	5.6
171.08118	5.3
184.07312	85.6
187.11128	4.9
197.09595	5.7
199.11127	4.6
215.10672	7.9
217.08562	5.3
225.09091	6.5
233.08073	6.4
243.10023	8.9
253.08443	4.3
271.09695	5.3
271.70471	4.2
271.84494	3.5
275.20016	5.2
289.10693	25.5
307.11597	8.7
325.81689	3.7
358.41452	4.4
385.04794	4.4
433.22183	35.2
451.23184	21.9
497.26974	5.1
498.12210	4.5
507.25592	28.3
525.26941	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	560.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76583	2.5
53.03934	4.9
53.70156	2.4
55.05500	38.6
57.03412	3.1
61.84929	2.4
67.05500	39.0
69.07061	15.8
71.04986	3.8
79.05479	34.7
81.03412	14.1
81.07040	53.1
83.04965	5.4
83.08598	23.0
91.05467	48.0
93.07027	51.0
95.04950	47.2
95.08588	32.7
97.06524	11.5
97.10166	4.0
105.07028	53.2
107.04949	14.1
107.08575	37.1
109.10152	18.3
111.08115	4.8
117.07026	19.6
119.08578	38.1
121.06448	5.2
121.10114	24.7
123.08076	5.6
129.07022	5.1
131.08537	26.8
133.10098	33.1
135.08098	3.2
135.11702	6.3
137.09715	4.3
143.08517	4.7
145.10098	28.2
147.11740	13.1
149.09604	38.0
151.11162	4.0
155.08583	4.2
157.62918	3.1
159.11687	16.2
163.11133	29.2
171.11705	3.9
175.11195	5.3
189.11243	3.8
223.13318	16.8
239.17966	12.1
257.18924	18.1
275.20020	100.0
293.21140	31.9
343.53125	3.4
356.66959	3.4
366.17264	3.4
401.94467	3.1
557.10736	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	560.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
63.89919	0.1
65.03893	0.1
67.05511	0.1
79.05474	0.5
81.03397	0.1
81.07011	0.2
85.70610	0.1
91.05465	1.0
92.08680	0.1
94.04159	0.9
95.04958	0.1
103.05446	1.3
105.07011	0.4
107.04935	0.4
109.06523	0.3
111.04382	0.1
115.05420	0.2
117.06998	0.3
119.04923	0.9
119.08573	0.1
121.06525	0.1
122.03622	3.5
123.08039	0.1
127.37596	0.1
128.06255	0.1
129.06956	0.1
131.04916	2.0
131.08582	0.1
133.06471	0.4
135.04405	0.1
135.08025	0.4
137.05957	100.0
138.06302	0.4
145.06465	0.3
147.04431	0.1
147.08037	0.1
149.05859	0.1
151.03912	0.1
151.07512	1.4
160.05125	0.1
161.05956	0.3
163.07510	3.3
165.09077	0.6
169.06349	0.1
171.08086	0.1
174.06743	0.1
175.07536	1.3
177.09076	2.0
178.14995	0.1
179.07069	0.1
181.08559	3.7
185.64760	0.1
189.09085	0.2
191.10704	0.1
201.09094	0.2
203.10638	0.3
218.07306	0.2
221.09662	0.1
221.11658	0.1
224.08412	0.1
233.09636	0.3
235.07515	0.2
239.10420	0.1
241.08937	0.1
249.09103	0.1
261.09119	0.2
265.08261	0.1
265.12213	0.1
267.10028	0.3
278.09247	0.1
281.11530	0.1
293.11642	0.1
299.12775	0.1
301.14096	0.1
311.12762	0.1
316.20642	0.1
325.14215	0.5
343.15311	0.2
365.17261	0.6
383.18649	0.1
489.22263	0.1
507.23679	0.5
538.39685	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	559.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07835	0.5
51.87749	0.4
53.35074	0.5
63.00408	0.5
64.64128	0.5
64.80527	0.5
67.05476	0.6
75.11553	0.6
77.43665	0.5
78.37176	0.5
79.05472	0.8
81.07055	1.0
86.60962	0.5
91.05464	0.7
95.08588	0.7
107.08582	0.8
113.09970	0.5
124.83542	0.6
171.78207	0.6
215.79979	0.6
291.39767	0.7
405.22836	0.7
431.39264	0.7
433.15109	0.6
541.35608	0.7
559.28607	100.0
560.28717	1.1
582.67236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2874
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
50.34502	0.3
51.12949	0.3
64.57201	0.3
72.22289	0.3
79.05453	0.5
81.07042	0.6
91.05447	0.3
93.07002	0.4
95.04941	0.4
174.94748	0.3
222.94849	0.3
292.54514	0.4
305.83551	0.3
485.25082	1.6
495.80020	0.3
559.28668	100.0
560.28918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87334	0.9
54.81700	0.9
55.05511	2.2
57.07066	1.5
67.05494	2.5
69.07049	1.8
79.05491	2.0
81.07027	5.6
83.08614	1.3
85.10168	5.0
92.08663	3.5
92.60174	1.1
93.07008	2.3
95.08585	5.0
101.71598	0.9
106.06417	1.2
107.08565	2.1
109.10171	2.3
113.09637	4.2
119.08585	2.1
120.49165	1.1
121.10126	1.4
123.11733	1.3
126.80593	1.0
133.10135	2.0
151.11275	1.3
179.94487	1.1
203.17943	1.1
225.38008	1.1
249.18668	1.6
254.84825	1.2
257.21170	7.4
258.21494	1.8
267.15720	1.6
311.53976	1.0
315.19214	2.4
401.46912	1.1
559.35901	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	559.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.07598	1.5
54.81855	1.7
55.01868	17.8
55.05505	41.6
56.05009	9.0
57.03422	2.2
58.81280	1.5
58.99570	3.8
59.04991	1.8
59.14951	1.6
61.63954	2.0
66.92731	2.0
67.05199	2.3
67.05494	41.8
69.03407	4.5
69.07050	25.9
71.04976	4.5
73.11591	1.8
74.00636	2.9
76.02190	7.8
76.56384	1.7
77.03828	1.9
79.05472	68.9
81.03397	10.5
81.07037	100.0
83.01244	1.8
83.04942	14.1
83.06077	2.7
83.08604	26.1
84.04024	3.3
84.04492	61.0
85.01112	17.1
85.02891	3.8
86.00636	3.4
88.03974	23.2
91.05457	34.0
93.07022	49.1
95.04938	36.2
95.08040	2.4
95.08575	22.4
97.01088	7.6
97.06525	6.9
97.09728	1.5
97.10156	27.9
98.09659	3.0
99.08038	1.9
102.05542	3.1
105.03330	2.2
105.07015	36.6
107.04933	20.5
107.08566	29.0
108.04482	2.4
109.06492	15.2
109.10138	9.4
111.04427	14.0
111.08042	3.1
112.02181	4.6
113.00568	3.1
113.04226	16.3
117.06989	27.8
119.04899	3.6
119.08556	53.8
121.06489	24.0
121.10126	18.2
122.02699	4.0
123.02595	2.6
123.08033	20.6
123.11628	3.0
125.04185	3.8
125.07093	8.2
125.09574	16.6
126.03696	2.9
129.07030	13.2
130.04974	11.3
131.04910	2.6
131.08543	26.5
132.01152	7.4
133.06441	9.2
133.10089	16.8
133.94592	2.0
135.02573	2.2
135.08023	11.4
135.11652	11.5
137.04118	2.4
137.05945	15.5
137.09586	3.3
139.02109	7.7
139.05716	2.9
141.00012	3.0
142.03230	4.2
142.07809	2.5
143.08540	10.3
145.10092	32.1
147.08025	28.7
147.11671	8.4
149.09608	15.6
151.05690	3.8
153.01729	2.4
153.12773	4.1
154.04982	8.8
155.08539	3.5
157.10097	9.4
158.02647	2.6
159.08015	3.1
159.11655	9.4
161.09624	15.4
161.13255	2.4
163.07501	2.3
163.11162	18.7
169.10095	2.4
171.07639	15.9
171.11620	4.3
172.04160	3.0
173.09561	7.4
175.11105	3.0
177.09123	2.7
181.06850	3.4
181.12195	3.7
182.02637	9.0
185.03876	2.0
185.06154	2.2
185.13170	3.3
187.11116	3.5
188.03874	2.6
189.11131	3.5
191.10660	2.1
199.07271	1.8
202.09155	2.2
205.12239	1.9
217.08147	15.1
223.13216	3.8
226.08945	2.3
227.17889	1.8
245.18927	2.0
249.14836	3.8
249.18530	2.2
251.07066	3.5
255.17529	2.6
255.82123	1.8
273.18423	30.1
275.19986	1.8
280.13492	3.1
291.19479	98.3
294.16873	1.9
297.13824	4.1
298.14618	3.0
305.15634	3.8
323.16931	2.4
331.17581	2.1
343.14450	7.0
348.19730	8.4
366.20935	7.8
394.20398	37.0
412.21414	89.8
430.22485	25.3
507.31241	2.0
541.25848	26.5
559.18622	2.6
559.26520	52.4
559.38324	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	559.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53564	0.4
53.87445	0.4
55.01860	1.8
55.05500	2.2
63.16185	0.4
64.27865	0.3
64.91338	0.4
67.05487	2.0
68.05013	0.7
68.97519	0.4
69.03403	0.4
69.07055	0.6
70.06568	1.7
72.08153	0.6
74.00648	2.3
76.03994	3.3
79.05474	2.1
80.05006	1.0
81.07043	5.5
83.06099	0.8
84.04498	8.8
85.01125	0.5
85.02885	0.8
85.04025	4.6
87.46096	0.4
88.56318	0.4
88.74036	0.5
89.07354	0.4
89.64311	0.4
91.05457	0.6
92.01668	1.0
93.07004	2.1
94.06561	5.1
95.07304	1.7
95.08589	4.8
96.08115	0.7
97.01087	2.0
97.02877	0.7
99.02647	2.3
99.04451	0.5
99.05563	2.0
101.04219	0.9
105.05766	0.6
105.07023	1.6
107.04873	0.4
107.08614	0.6
108.10808	0.4
109.07705	0.5
111.02628	1.8
112.02197	4.5
112.03932	1.0
112.07576	0.7
113.02940	2.0
113.03609	0.6
117.06995	0.8
119.08575	0.6
119.40153	0.4
120.08091	0.7
121.06452	0.5
121.10063	0.5
122.06014	19.9
123.02614	0.4
123.06807	6.8
123.08025	1.6
124.02181	0.7
124.07574	11.4
125.02948	0.5
126.03728	2.6
128.05292	3.9
129.06621	0.5
130.04988	7.0
131.04521	3.8
131.08510	0.5
133.06493	0.4
134.07120	0.5
135.02550	0.7
136.07547	0.7
137.04175	0.6
137.05954	3.8
138.03711	18.5
138.09117	0.7
139.03249	0.7
142.03192	0.6
144.04721	3.4
145.06099	1.6
147.02637	0.5
147.04385	0.7
147.07999	0.5
148.07520	0.5
150.03621	0.5
150.09163	3.5
151.05743	0.8
152.01651	0.6
152.05290	0.7
153.06590	0.7
154.03218	0.8
156.04765	100.0
161.05856	0.4
162.09109	0.5
164.01581	0.7
164.05180	0.5
164.10661	7.0
165.02373	0.8
168.04721	3.1
170.06293	0.7
177.03278	8.5
177.11417	0.5
178.03186	2.0
178.12170	1.9
180.04770	1.6
181.06015	1.9
182.06273	4.9
185.03748	5.6
190.03156	0.8
190.12212	0.6
191.03868	0.5
192.13756	1.8
196.04259	2.2
196.07924	0.6
204.13800	1.9
205.14711	0.5
208.04219	3.2
210.09544	1.0
214.12189	0.7
215.13036	1.9
222.09438	3.0
231.04335	9.4
233.14075	0.8
236.16418	0.7
238.12547	4.5
248.10980	6.6
251.15155	7.5
252.15901	9.4
254.17494	1.6
266.09457	0.8
266.12054	19.0
268.13544	1.0
274.12549	0.5
284.13104	99.6
286.14709	1.0
288.06390	2.7
292.13846	3.2
302.12180	0.7
306.07513	0.5
309.16171	2.7
310.11148	0.7
310.14685	19.8
314.61407	0.5
320.13132	18.0
327.17340	0.6
337.15756	5.1
338.14185	11.1
355.16757	5.3
359.19623	0.5
422.16910	2.6
430.14090	0.8
430.19989	22.8
466.19946	0.9
484.20926	1.7
524.66351	0.4
541.22809	0.6
559.24347	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	558.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
60.33629	0.2
77.09684	0.2
79.05463	1.4
81.07019	0.3
91.05459	3.5
92.08723	0.3
93.07014	0.5
94.04137	2.1
95.04930	0.5
97.06507	0.3
97.85533	0.2
103.05452	11.6
105.03426	0.3
105.07024	2.3
107.04951	2.5
109.06497	2.9
115.05454	2.5
117.07001	1.7
119.04912	1.9
119.08548	0.4
121.06499	2.4
122.03631	6.5
123.08040	1.7
125.06026	0.3
128.06177	0.3
129.06964	2.1
131.04906	27.5
131.08559	0.6
132.05655	0.4
132.92297	0.3
133.06454	1.8
135.04353	0.6
135.08041	1.8
136.05206	0.5
137.05957	100.0
138.06320	0.5
143.04901	1.3
144.05756	0.3
145.06473	1.3
146.03624	0.4
146.07263	0.4
147.04535	0.3
147.08072	1.1
148.05222	0.6
149.06001	1.3
149.09570	0.3
150.06729	0.3
151.07524	15.2
157.06496	1.0
159.08080	0.5
160.05127	0.5
161.05946	13.3
161.09598	2.6
162.06764	0.4
163.07512	43.4
165.05383	0.3
165.06892	0.5
165.09053	1.8
174.06786	0.6
175.07509	7.8
177.09076	14.8
178.07791	1.0
179.08488	1.2
181.06462	0.4
181.10153	0.3
187.07521	1.4
189.09084	6.9
190.07706	0.4
191.08467	1.9
193.10043	0.5
195.08202	0.5
195.10130	5.4
196.08847	0.6
199.07521	0.3
202.07764	0.4
203.08601	0.5
205.06424	1.0
205.10098	0.5
206.07236	0.4
207.08037	2.7
207.10158	7.0
209.06049	0.4
209.09572	1.9
210.06763	0.3
211.07600	0.5
217.06525	0.3
218.07259	1.1
219.08035	3.7
219.10193	1.5
221.06033	1.0
221.09540	1.6
221.11725	1.5
223.07524	0.4
224.08231	1.4
225.09102	1.4
233.05977	0.5
233.09621	2.3
234.06738	0.6
235.07489	3.3
236.08162	0.4
237.08972	2.6
238.09866	0.6
239.07031	0.4
239.10600	2.6
240.07832	0.4
241.08517	1.1
241.12250	0.3
246.06792	0.3
247.07504	1.5
248.08356	0.4
249.09062	1.6
250.06226	0.6
250.09811	0.6
251.06903	0.6
251.10660	3.3
252.07742	1.5
253.08553	1.2
253.12206	1.4
254.09364	0.5
256.11005	0.4
261.09052	1.5
262.09937	0.3
263.07047	0.5
263.10550	0.4
264.07687	1.2
265.08557	4.7
265.12128	1.6
266.09305	2.6
267.10104	4.2
268.10831	0.4
269.08023	1.5
269.11597	0.4
275.10767	0.3
277.08502	0.6
278.09363	1.2
279.10083	8.5
280.10840	1.3
281.11719	2.5
282.08786	0.6
283.09891	0.3
283.13342	0.4
284.10315	2.0
285.11191	1.2
287.12878	0.3
291.10052	0.4
292.10870	0.4
293.11646	2.8
295.09650	1.3
295.12842	0.3
296.10336	1.1
297.11182	8.0
299.12708	3.4
307.13211	0.3
310.11926	1.4
311.12698	18.6
313.14145	2.2
317.13745	1.4
319.13333	0.3
323.12698	1.0
325.14194	2.4
343.15332	14.1
351.15884	1.5
355.15323	2.2
357.16946	1.0
369.16959	2.1
389.63788	0.3
475.21277	0.6
493.22125	18.8
511.23239	4.6
588.55469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01517	0.1
50.94378	0.1
50.97861	0.1
51.12002	0.1
52.24114	0.1
53.90464	0.2
54.30038	0.1
54.66559	0.1
55.01864	0.4
62.92829	0.1
65.03925	0.3
68.66507	0.2
75.14902	0.1
79.05470	0.9
81.07016	0.2
91.05463	2.6
92.09317	0.3
93.03370	0.2
93.06995	0.2
94.04184	1.6
95.04961	0.8
96.99426	0.2
103.05443	0.8
105.07020	1.0
107.04950	1.2
109.06506	0.7
111.04448	1.3
115.05444	1.8
117.07001	1.1
119.04884	1.6
121.06488	1.0
122.03634	4.7
123.04333	0.2
125.05975	0.9
126.46515	0.2
128.06166	0.3
129.06998	1.3
131.04907	1.0
131.08560	1.1
133.06453	1.0
135.04434	0.4
135.08051	0.3
137.05960	100.0
138.06337	0.7
141.06970	1.0
143.04932	2.0
145.06474	0.9
146.03607	1.0
147.04382	0.3
147.08063	0.7
149.05948	1.6
151.03882	1.0
151.07542	4.2
153.05447	1.2
153.06886	0.3
155.48358	0.2
157.06389	0.6
158.07217	0.4
159.08034	1.3
160.05200	0.9
161.05946	5.8
162.06723	0.2
163.07480	1.5
165.06973	5.2
166.07716	0.4
167.07079	0.2
167.08438	1.2
169.06398	0.4
172.05165	0.3
173.06088	0.2
174.06723	2.2
175.07513	5.0
177.06975	0.7
177.09109	1.2
178.07732	0.3
179.07069	0.4
179.08504	2.4
181.06474	1.0
181.08595	0.3
182.07231	2.7
183.07983	0.3
186.06679	0.4
187.07559	1.5
189.07211	0.3
189.09105	2.5
190.07770	0.7
190.09360	0.2
191.06975	0.3
191.08525	3.5
192.05698	0.3
193.06470	6.9
194.07240	1.8
194.71028	0.2
195.07993	1.3
196.05132	0.2
196.08830	1.1
197.09572	1.5
199.07536	0.7
201.09003	1.5
205.06482	1.2
205.08572	1.1
206.07205	0.7
207.08012	2.2
208.08786	0.9
209.05974	0.9
209.09566	0.3
210.06731	5.7
211.07483	1.8
212.08165	0.2
213.09163	0.2
217.08553	0.2
218.07297	0.8
219.08029	5.6
219.10156	2.9
220.05127	0.3
220.08871	0.7
221.05943	14.5
222.06699	2.1
223.07539	0.8
224.08264	3.8
225.09065	11.1
227.06918	1.7
227.10547	0.3
231.08070	0.7
233.05905	0.2
234.06758	0.3
235.07478	3.0
236.08313	2.0
237.05420	0.7
237.09087	1.7
238.06165	3.1
239.06934	1.1
239.10605	3.5
240.07782	0.2
241.08554	0.3
242.09340	0.3
245.64967	0.2
247.07471	2.4
248.08105	0.6
249.09026	0.8
250.06284	0.3
250.09789	0.2
251.06976	0.2
251.07819	0.3
251.10632	5.8
252.07802	3.1
253.08543	11.0
254.09235	0.3
255.06491	2.2
255.09026	0.2
255.10228	0.3
259.07416	0.4
261.09094	0.4
263.06787	0.2
263.10699	0.3
264.07770	1.6
265.08560	4.4
266.09167	0.4
267.10110	13.9
268.07007	0.2
268.10751	0.3
269.08069	0.4
270.08768	1.9
279.10098	12.3
280.10815	0.8
281.07919	0.9
281.11365	0.2
282.08905	0.7
283.13101	0.2
284.10397	0.3
285.11160	31.0
287.12839	0.2
291.09906	0.4
296.10397	1.2
297.11157	3.9
298.11877	0.3
299.12756	4.3
309.11221	0.2
311.12717	22.1
313.14246	0.7
315.12238	1.2
323.12653	0.7
329.13766	13.3
341.13889	1.3
399.17950	4.8
438.24643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32898	0.4
53.03947	0.6
57.03428	1.1
61.02908	2.7
63.95773	0.5
64.88799	0.5
69.03420	5.4
70.06589	1.3
71.04994	0.6
72.08154	0.6
79.05470	2.6
81.03398	1.3
84.04477	0.6
84.08134	0.8
85.02895	13.7
91.05471	5.8
92.08705	1.1
94.04173	0.8
95.04974	0.6
95.08583	0.6
97.02864	4.2
99.04433	0.8
103.05447	10.2
105.07033	3.3
107.04981	4.2
107.08579	2.9
109.02882	1.0
109.06505	0.9
115.05434	4.7
117.07030	7.0
119.04924	2.3
119.08559	7.5
121.06503	2.5
122.03641	4.2
125.05987	2.2
127.03902	2.7
128.06219	2.1
129.06978	5.9
131.04907	26.1
131.08589	0.9
132.05698	3.6
133.06465	0.9
135.08035	4.6
137.05960	100.0
138.06308	0.7
141.06999	1.3
141.10101	0.5
145.04938	1.2
145.06461	3.8
147.04416	0.6
147.08051	9.6
148.05240	0.9
149.05974	1.2
151.07529	5.7
153.05452	16.0
157.06516	3.6
159.08023	1.2
160.05206	4.3
161.05960	3.6
162.06763	0.9
163.07513	70.4
165.09169	0.7
167.07019	0.6
169.06479	2.4
174.06725	2.1
175.07520	79.8
177.09103	3.7
186.06680	1.3
187.07524	3.7
189.09097	7.5
201.09077	5.5
203.10579	1.0
207.10185	0.8
212.08502	0.6
217.14287	0.7
219.10152	5.2
221.09499	0.7
225.09015	0.9
227.10658	1.0
233.09586	0.9
253.12169	0.9
255.10165	1.0
260.26785	0.7
265.12100	0.7
285.11292	0.9
287.12885	1.1
311.12656	0.8
313.14328	9.3
325.14331	16.5
331.15372	6.5
343.11459	1.3
343.15302	11.7
361.16602	2.0
379.17493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86189	0.5
54.36918	0.5
55.01867	1.1
55.05503	0.5
55.31167	0.6
61.71600	0.7
64.33096	0.5
67.05486	0.8
79.05478	1.1
81.07032	1.1
83.05026	0.6
84.29855	0.5
91.05484	5.1
91.05934	0.5
95.04911	1.2
103.05441	3.3
105.07024	3.1
107.04932	5.3
115.05441	0.7
117.07028	0.8
119.04964	0.9
121.06493	9.7
122.03632	5.1
123.04410	0.8
125.05994	0.7
131.04924	3.9
133.06474	3.2
135.08015	1.4
135.38683	0.6
137.05959	100.0
138.06326	0.8
145.06470	4.3
147.04356	0.9
147.08031	0.9
149.05984	2.5
151.07536	3.6
153.07031	0.7
159.08002	0.9
161.05931	9.4
161.09659	1.0
163.07523	7.3
165.06921	4.3
165.09102	0.7
167.07043	1.2
167.08493	1.5
172.83887	0.7
175.07472	4.5
179.07048	1.0
182.07207	1.4
189.09082	3.2
193.06465	1.0
194.07275	0.9
195.07961	1.2
197.09570	3.7
203.10658	0.7
207.10178	1.5
209.09659	3.7
210.06769	0.9
219.10103	1.1
221.09668	0.8
225.09122	9.6
227.10503	0.8
237.09058	4.4
248.08031	0.7
249.08990	1.2
254.09311	0.8
255.10054	1.0
257.11694	11.9
265.08524	0.8
269.11606	10.8
281.11798	1.0
287.12671	3.3
297.45529	0.7
311.12802	2.3
312.13672	1.1
511.23523	1.9
561.13318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01869	1.6
61.02934	1.0
69.03410	2.3
79.05506	2.1
85.02888	6.9
91.05475	22.4
94.04123	1.1
95.04948	2.4
97.02871	1.6
103.05453	15.7
105.07018	10.3
107.04955	32.1
109.02854	1.4
109.06498	2.4
111.53521	1.1
115.05447	7.5
116.53783	1.0
117.06963	1.2
119.04926	20.1
121.06491	6.8
122.03652	4.3
122.07217	1.2
128.06261	1.5
129.06996	6.4
130.38843	0.9
131.04913	17.7
131.08527	1.8
133.02798	5.6
133.06480	9.4
135.08043	12.2
137.05959	82.1
145.06491	2.2
146.07256	6.2
147.04361	13.6
147.08084	1.6
148.05185	2.5
149.06003	10.8
151.03923	1.0
151.07529	36.1
152.08167	1.0
153.07028	1.1
157.06485	4.7
161.05957	100.0
161.09590	27.0
162.06694	7.6
163.07518	47.6
165.06923	1.1
165.09076	2.0
166.07919	1.0
167.08553	5.0
174.06775	5.1
175.07512	12.5
177.09129	2.5
179.07019	2.0
181.08574	5.1
189.09073	52.1
191.06975	1.8
193.06422	1.8
193.10085	2.4
194.07275	1.2
195.08092	7.3
207.10127	47.9
209.09514	1.3
210.06804	1.6
211.07478	1.2
219.10075	2.6
221.06010	4.0
221.09758	3.8
223.07544	2.4
224.08246	1.2
225.09204	2.4
227.10658	11.9
237.08955	2.0
240.07788	1.4
249.09096	1.6
252.07895	1.3
253.08553	4.9
253.12234	5.0
255.10149	10.7
265.08771	1.5
267.10080	1.9
281.11633	1.4
285.11154	10.1
287.12772	19.4
293.11584	1.8
299.12720	4.9
311.12741	10.1
313.14221	15.5
331.15384	51.4
343.15305	2.5
376.83176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01854	3.0
55.29902	0.4
56.50962	0.5
57.03416	3.2
58.82397	0.4
61.02903	2.5
64.32883	0.5
69.03419	7.8
71.04964	0.9
73.02892	1.0
79.05468	3.8
81.03402	6.7
81.07016	1.0
81.79404	0.4
85.02887	21.6
88.03271	0.5
91.05461	14.5
92.08705	1.1
93.07028	0.9
94.04134	0.7
95.04938	2.7
97.02874	7.8
99.04420	1.9
101.02376	0.5
102.04686	0.5
103.03918	1.0
103.05451	16.5
105.06362	1.0
105.07013	17.8
107.04936	33.7
109.02840	3.1
109.06500	1.2
114.02122	0.5
115.03896	0.9
115.05421	4.4
117.07016	3.2
119.04924	14.9
121.06480	10.6
122.03591	3.6
127.03870	4.5
128.06174	0.9
129.06990	7.2
130.04097	0.9
130.05019	0.5
131.04903	17.2
131.08540	3.3
133.01900	1.0
133.02832	18.0
133.06456	18.8
135.04393	2.4
135.08025	8.5
136.05186	0.7
137.05952	100.0
141.06955	0.7
143.04826	0.7
145.04947	1.2
145.06454	3.7
145.07545	0.9
146.03612	0.8
146.07248	3.1
147.04385	18.3
147.07982	1.2
148.05194	3.7
149.05963	22.6
150.06749	4.1
151.03935	0.8
151.07526	28.0
153.05441	2.2
157.06470	4.6
159.04370	0.9
159.08069	1.0
160.05142	1.9
161.05951	79.2
161.09578	20.4
162.06747	7.0
163.07507	55.3
165.05438	4.0
165.06807	1.0
165.09077	5.9
167.06998	3.7
167.08389	1.1
169.06454	1.3
171.08066	0.9
173.05952	2.1
174.06764	4.0
175.07487	8.9
176.04707	0.5
177.05399	4.0
177.09061	4.9
179.06996	13.6
179.08461	1.0
179.10544	0.8
181.06433	0.7
181.06873	0.8
181.08536	9.9
185.05923	0.7
186.06755	0.6
187.07475	3.9
189.09068	45.3
191.06992	7.6
193.06514	0.9
193.08588	2.5
193.10129	1.1
195.08047	5.3
195.10008	1.0
197.05943	2.4
199.07645	0.6
201.09097	2.1
203.06934	4.3
205.06741	0.7
207.10130	48.1
209.05943	0.6
209.09685	0.6
210.06741	0.7
211.07445	0.8
212.08328	0.6
213.09132	0.7
215.06972	1.2
217.08522	1.1
219.10172	2.7
221.05943	2.6
221.09575	2.3
223.07501	2.7
224.08247	1.0
225.09065	2.2
225.11308	1.9
227.10564	5.5
229.08527	2.4
231.10075	1.1
233.07930	1.1
237.08990	0.8
240.07742	0.7
241.08629	0.9
245.08000	0.9
245.11668	0.9
249.11111	1.6
253.08510	1.2
253.12207	2.6
255.10088	4.8
265.08417	1.1
267.10175	2.1
273.11105	3.2
275.09171	1.9
281.11758	0.9
284.10193	0.7
285.11218	5.7
287.12762	5.6
291.12137	6.8
293.10159	1.2
297.11163	3.1
299.12796	2.2
305.10229	0.8
309.13446	2.0
311.12592	1.1
313.14294	6.3
323.11203	0.8
325.14301	2.1
331.15320	26.5
331.19064	1.1
343.15356	7.6
402.62268	0.6
469.18192	0.9
556.82379	0.7
589.30383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39373	0.7
53.03957	1.2
54.82066	0.7
55.01863	1.8
57.03420	3.4
61.02908	1.8
64.45772	0.7
69.03412	11.0
70.88834	0.7
71.04967	1.1
72.01035	0.6
72.57835	0.7
73.02901	1.8
74.01340	0.6
79.05495	6.4
79.05875	0.8
79.18652	0.7
81.03395	4.7
85.02892	22.3
87.04489	0.9
91.05460	14.7
92.09309	2.6
93.07011	1.2
95.04951	3.3
95.25416	0.7
97.02301	0.8
97.02869	6.3
99.04415	1.2
101.40738	0.8
102.54335	0.8
103.05437	14.4
105.07008	17.6
107.04944	33.6
107.15711	0.7
109.02867	2.7
109.06504	0.9
109.90847	0.7
115.05424	4.5
117.07030	1.7
119.04910	13.1
120.88882	0.7
121.06470	9.1
122.03598	4.4
127.03889	5.7
128.06146	1.0
129.06989	6.5
131.04878	14.2
131.08545	1.2
133.02829	16.7
133.06467	18.7
135.04402	2.9
135.08026	10.0
137.05959	100.0
141.06952	1.0
143.04897	1.0
143.08522	0.8
145.04916	1.7
145.06461	3.9
146.07246	1.3
147.04381	15.7
147.08008	1.0
148.05182	4.2
149.05983	20.0
150.06740	5.0
151.07518	26.2
157.06456	4.1
160.05103	1.6
161.05949	72.4
161.09587	17.4
162.06711	7.3
163.07518	44.6
165.05450	4.3
165.06854	1.6
165.09081	5.7
167.06985	3.1
167.08495	1.5
169.06459	0.9
173.06027	1.0
174.06715	3.6
175.07503	12.3
177.05437	4.5
177.09100	3.5
179.07004	13.4
181.08539	7.1
187.07474	1.8
189.09065	42.8
191.07021	6.1
193.08493	1.0
193.10139	1.0
195.07997	3.4
197.05898	0.9
199.07484	0.8
201.09129	1.5
203.06982	3.9
207.10121	44.0
210.06723	0.9
211.07451	1.0
215.06989	1.3
217.08519	1.1
219.10136	4.2
221.09724	0.9
223.07552	3.3
225.09035	1.5
225.11223	1.6
227.10661	3.7
229.08649	1.2
237.08922	1.2
237.11105	0.9
245.08142	1.0
253.08549	1.3
253.12134	3.2
255.10083	6.3
263.12878	0.9
265.08408	1.1
267.10098	1.8
273.11130	4.5
285.11130	6.6
287.12595	3.2
291.12363	7.3
293.10281	1.1
297.11197	2.8
299.12717	3.5
309.13232	0.9
311.12732	1.2
313.14249	10.7
323.11197	1.8
325.14285	1.5
331.15332	24.3
343.15414	7.6
345.15210	0.8
349.79370	0.9
376.24048	1.0
423.69409	1.0
469.18033	1.4
562.08057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
54.03307	0.5
55.01863	0.7
57.03407	0.9
58.70821	0.6
61.02898	0.6
61.40193	0.5
69.03403	4.5
70.06587	1.0
70.48502	0.7
71.04980	1.4
72.08131	1.3
79.05460	1.3
81.03407	0.8
81.07019	0.7
84.15575	0.7
85.02886	13.7
87.04470	0.7
91.05469	2.8
93.07028	1.0
94.04173	0.8
97.02861	5.1
99.04432	1.2
103.05457	6.8
105.07022	6.4
107.04922	2.7
107.28597	0.7
115.05448	1.3
121.06499	4.9
122.03635	4.3
123.04419	0.9
127.03920	2.7
129.06982	2.6
131.04890	16.4
133.06464	10.9
137.05952	100.0
138.06310	1.1
145.04900	1.1
145.06473	0.9
147.04430	2.9
149.04886	1.3
149.05957	18.1
151.03825	0.8
151.07512	2.9
153.05411	0.8
157.06444	1.4
161.05942	65.0
163.07515	24.2
165.55515	0.7
169.06465	1.2
173.05984	1.3
175.07538	3.3
181.08621	0.9
187.07524	3.9
191.26912	0.7
234.06651	0.7
242.93674	0.7
265.08795	0.7
265.12103	0.7
266.09430	0.8
267.10086	1.4
267.75003	0.7
273.38177	0.9
279.10007	1.3
281.11716	1.4
299.12729	8.4
311.12723	17.4
317.13739	1.5
329.13739	8.7
347.14743	0.8
363.11768	1.1
404.11459	0.8
419.13983	0.9
460.15076	0.8
506.98901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13885	2.1
54.81683	3.0
55.01857	5.3
55.05510	42.9
57.03434	3.7
57.07063	4.8
57.41573	2.7
58.70173	2.6
59.04979	5.7
62.19021	2.5
67.05492	74.9
69.07050	49.2
71.04979	5.2
75.02081	2.6
79.05479	39.4
80.17009	2.5
81.07043	98.7
83.04970	12.7
83.08614	30.7
91.05481	17.8
93.07020	49.7
94.73765	3.4
95.04961	5.7
95.08586	100.0
97.06505	11.4
97.10149	11.1
105.07005	19.6
107.08580	33.1
109.06547	2.9
109.10138	42.4
111.04340	3.8
111.08095	3.9
119.08558	17.4
121.10122	45.8
123.11682	6.9
125.09593	3.6
131.08551	6.2
133.10094	19.6
135.11662	18.2
137.09561	4.6
139.11209	6.4
145.10133	6.2
147.11658	7.0
149.13269	3.9
159.11650	12.0
161.13257	4.8
161.79948	2.9
173.13232	3.5
189.07698	3.2
191.18056	3.5
206.34883	3.5
215.17958	5.5
217.19482	5.1
233.18965	20.4
235.20566	4.0
251.20007	56.9
253.21667	4.7
269.21109	39.3
295.50540	3.0
341.98462	3.1
435.94171	3.1
485.39642	19.0
503.40878	45.6
521.42065	28.2
557.30408	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	4.9
55.05490	47.4
55.96445	4.9
59.83308	6.1
67.05502	70.9
67.64610	5.3
67.77183	5.9
69.07058	50.3
79.05477	55.0
81.07030	75.6
83.04935	6.0
83.08624	44.2
89.06008	12.0
91.05443	52.3
93.07030	100.0
95.08572	67.9
97.06522	7.2
97.10149	8.6
105.07010	37.2
107.08577	41.0
109.10137	23.8
111.08077	12.0
119.08597	42.3
121.10125	90.9
123.08072	10.7
131.08560	28.6
133.10123	35.8
135.11725	14.1
137.09595	37.6
145.10083	9.5
147.11688	11.9
149.09651	9.0
151.11166	13.6
153.09067	12.1
188.22292	5.8
213.16341	10.1
231.17355	25.1
249.18405	91.2
267.19553	14.3
275.11346	5.8
287.44391	6.4
421.48932	5.8
485.39777	28.8
499.85358	5.6
503.40778	83.8
521.41772	26.6
531.78973	5.8
550.90698	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	557.2573
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
55.05503	1.6
57.03439	0.9
65.08419	0.8
67.05485	1.6
69.03412	0.9
81.03384	1.0
81.07044	3.8
81.61512	1.0
85.02888	2.1
89.99346	0.9
91.05454	2.0
93.07028	1.4
95.08595	4.1
99.49676	0.8
105.07038	4.0
107.08583	1.0
109.10148	4.3
113.14199	0.8
117.69056	0.9
119.04948	1.0
119.08554	1.4
121.06495	1.7
121.10153	1.1
127.03903	1.0
131.08595	1.8
133.10193	1.1
137.05972	6.9
141.07014	1.1
147.04390	1.4
151.03903	8.2
161.05965	1.4
164.93077	1.0
185.04247	3.4
189.08989	1.2
219.10162	1.7
233.15021	1.3
273.20761	1.2
293.15872	1.1
347.09387	1.3
365.19183	1.6
383.20493	1.1
395.20325	1.2
397.16495	1.8
413.21252	1.7
455.22141	0.9
465.24170	2.2
495.25555	5.3
497.23163	1.4
527.24445	5.6
539.25055	1.0
557.25537	100.0
560.63861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35582	2.8
54.81133	2.3
89.75674	2.5
105.75332	2.8
115.91982	2.9
137.05957	17.1
145.10184	3.0
169.03436	3.3
195.18954	3.1
285.45248	3.2
287.44363	3.4
356.34070	3.1
431.72345	3.5
557.18335	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	557.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
55.05502	0.7
56.96561	0.8
57.03432	1.2
58.61745	0.5
61.02915	0.6
67.05495	2.5
69.03412	2.2
69.07058	0.9
70.06561	0.6
71.04971	0.6
72.62590	0.5
73.07468	0.6
79.05473	2.1
81.03392	0.8
81.07036	2.4
83.08566	0.7
85.02882	2.8
88.44212	0.5
91.05447	2.6
93.07043	4.0
94.07351	0.8
95.04923	0.8
95.08598	2.3
97.02887	1.1
98.97573	1.1
103.05452	1.2
105.07014	4.4
107.08577	2.0
108.08905	0.6
109.10124	0.7
119.08550	2.9
119.70703	0.6
121.06462	0.7
121.10130	2.7
122.03652	0.6
127.03900	0.5
131.04866	0.7
131.08557	0.9
133.06456	1.2
133.10112	2.2
135.04359	0.7
137.05972	8.5
138.06340	2.2
139.11130	0.6
147.11690	0.9
149.09592	1.2
151.03915	1.2
151.07542	0.7
153.05365	1.0
161.06009	0.6
165.09084	1.1
175.07466	0.6
175.14795	1.2
177.05434	0.7
185.04161	0.6
202.10316	0.5
203.05197	7.5
219.01826	0.7
237.02789	1.0
241.14258	2.4
259.07791	0.7
269.69327	0.5
323.22031	1.1
324.22507	0.6
331.09958	3.4
342.23441	0.6
346.13895	0.7
377.19165	4.4
395.20380	2.2
396.79715	0.6
487.17883	0.6
504.21317	0.9
539.24640	2.8
557.25537	100.0
558.26154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1442
Annotation	Sikokianin B
Peak:m/z	Relative Intensity
55.01846	0.5
57.03408	1.8
67.01509	0.6
67.01849	13.3
68.99774	8.1
69.03409	4.4
81.03370	1.6
81.07082	0.4
83.01303	0.5
85.02859	0.9
91.05447	5.5
93.06993	0.5
95.01308	0.4
95.04928	1.9
97.02850	2.6
105.06992	0.4
107.04926	3.6
111.00762	1.5
111.04411	0.8
117.03271	0.5
119.04916	13.1
120.05698	6.7
121.02822	0.5
121.06467	2.4
123.04392	17.5
125.01455	0.5
125.02326	9.2
127.03867	0.7
128.99924	0.4
129.01846	1.4
131.04880	2.5
133.71292	0.4
137.02293	3.0
138.03110	2.7
145.02826	0.8
145.06471	0.4
147.04376	25.7
147.37967	0.3
148.42801	0.4
151.03879	6.0
153.01797	100.0
154.02068	0.4
155.03337	0.7
155.04802	0.6
157.06464	1.5
159.08148	0.4
165.01788	0.6
166.02501	0.7
167.03358	3.0
171.02846	36.9
172.03212	0.5
172.05069	0.4
177.05418	0.7
179.03357	19.7
180.04091	2.0
181.01254	3.0
184.03671	1.9
185.04301	0.5
193.04897	0.6
197.05989	0.5
199.02344	20.5
199.16257	0.5
200.04552	0.5
203.07248	0.4
213.05450	0.6
215.03221	0.6
215.07001	0.6
217.04890	0.6
217.08327	0.4
225.05432	0.6
241.04851	0.8
243.02826	0.7
243.06493	0.6
244.03557	1.7
253.04855	0.5
256.06989	0.5
257.07932	0.5
259.05960	7.5
268.03616	0.9
270.05154	10.1
271.05981	3.2
283.05917	0.5
285.07510	87.3
287.05560	0.7
288.21289	0.4
296.03146	1.8
303.08517	4.4
311.05508	6.6
379.11734	3.6
403.12140	0.5
404.12051	0.6
405.13223	33.9
406.13400	0.5
431.11182	2.4
437.08585	18.8
455.09366	0.6
507.64926	0.4
556.12775	0.6
557.14264	63.0
558.14795	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
54.29542	1.1
54.80054	1.1
54.81848	1.8
55.05504	20.5
57.03423	1.7
57.07074	9.6
67.05491	45.8
69.07055	27.9
70.06564	2.7
71.04953	1.7
71.08596	2.7
79.05472	46.9
81.07037	100.0
83.04953	2.8
83.08590	11.2
85.06514	2.2
87.52666	1.5
89.06022	9.7
91.05432	22.4
93.07018	42.1
95.04970	1.8
95.08578	44.0
97.06492	8.1
97.10146	10.9
99.08076	2.2
105.06364	2.4
105.07013	47.3
107.08578	32.4
109.06513	7.9
109.10122	17.7
111.08069	1.9
111.11655	2.7
117.06998	5.2
119.08580	15.3
121.10120	68.9
123.08023	2.1
123.11661	5.6
125.09579	2.6
131.08540	50.1
133.08615	1.9
133.10100	11.4
135.11659	19.0
137.09590	2.2
139.11157	10.0
143.08534	7.3
145.10114	33.6
146.11827	2.2
147.11693	5.7
147.22997	1.5
149.09550	2.2
152.59361	1.3
157.10077	10.9
159.11696	2.5
161.13216	2.0
171.11609	11.8
193.02994	1.7
201.19211	1.6
203.12729	6.3
203.17937	6.9
213.16354	16.1
221.18953	2.7
231.17398	27.4
249.18411	34.2
251.19942	1.8
255.23143	2.5
259.15277	1.6
267.19598	2.4
283.26300	13.5
300.28943	2.8
355.07419	1.4
371.22443	5.2
379.07681	1.5
457.40317	2.8
463.33978	1.7
467.38541	2.5
475.41275	2.4
485.39948	12.5
503.40845	13.2
521.41943	5.9
526.76312	1.6
556.52808	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	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01863	3.0
55.05503	22.7
56.42219	1.7
57.03419	3.2
57.07072	20.6
58.92516	1.9
67.05493	31.1
67.68198	2.0
69.07060	21.2
71.04969	5.1
71.08568	2.2
78.17133	1.7
79.05481	25.3
81.03396	11.1
81.07043	50.3
83.04971	8.8
83.08591	13.8
85.10175	34.0
89.06031	9.4
91.05436	21.5
92.43478	2.2
92.63957	1.9
93.07038	29.3
95.04957	13.0
95.08587	44.8
97.06499	8.2
97.10149	10.0
105.07005	16.8
107.04958	10.0
107.08559	18.6
109.10150	11.2
110.07938	1.8
113.09618	28.4
113.52652	1.9
115.05466	2.2
117.07021	3.9
119.08572	13.2
121.10126	15.7
123.08039	3.6
123.11676	3.6
125.09637	2.2
125.42235	1.9
126.77306	2.0
131.08569	4.0
133.08568	2.1
133.10109	15.3
135.11653	4.7
145.10156	3.4
145.13576	2.0
147.11662	8.7
149.09631	9.3
149.13275	2.7
151.11171	4.5
159.11627	2.1
161.13271	2.5
163.11160	4.5
165.12706	38.8
166.40195	2.2
175.11150	3.4
179.14355	2.3
180.54408	1.9
208.11475	2.3
215.17703	2.2
233.18880	2.3
235.20515	3.2
251.20058	4.2
253.21596	3.5
259.20685	4.0
269.21088	3.3
271.22565	8.8
277.21567	38.7
288.27298	2.2
295.22620	100.0
309.24179	3.1
503.40619	4.0
521.42548	2.6
556.35638	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	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93856	2.3
55.01885	2.6
55.05508	21.5
56.02650	2.4
57.03438	24.7
57.07070	64.4
67.05500	35.5
69.06759	2.5
69.07056	23.1
70.06568	3.7
71.05006	2.8
71.08623	42.5
79.05480	41.7
81.07037	40.6
83.04971	3.6
83.08599	27.6
85.06561	2.9
85.10147	20.3
89.06023	19.5
91.05457	13.0
91.25250	2.9
93.07039	58.3
95.04961	3.9
95.08592	78.8
97.10122	4.9
99.04405	4.9
105.07023	13.2
107.04945	11.3
107.08570	38.6
109.10144	14.4
111.04430	3.5
117.07014	10.9
119.08567	16.0
121.06522	6.8
121.10114	17.0
122.92479	2.9
133.08601	3.5
135.11670	58.8
137.95529	3.3
139.07483	3.6
145.10124	45.6
163.11177	77.6
165.01489	2.6
181.12209	10.8
207.67094	2.9
224.55196	3.2
227.12758	71.0
231.63000	2.8
283.15363	64.9
283.26334	17.7
300.29044	13.1
313.27347	100.0
521.38251	77.8
556.52728	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.03427	0.6
65.62405	0.6
66.42371	0.5
67.05483	3.2
69.07054	2.6
74.56989	0.6
79.05483	0.9
81.07047	2.6
83.08597	0.7
89.03883	5.8
90.41781	0.6
91.05462	1.1
92.08663	0.6
93.07018	0.6
95.04945	0.8
95.08578	2.8
105.07040	1.1
116.00846	0.6
117.03357	29.4
118.28244	0.7
119.08537	0.6
121.10199	0.8
128.54996	0.7
132.45190	0.5
133.10068	0.6
134.03624	1.4
135.04413	2.5
144.17024	0.6
145.02824	89.2
149.05960	11.8
163.03860	1.1
177.05428	100.0
327.25140	4.5
467.37238	0.7
503.29834	8.4
521.31036	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	556.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	3.0
53.03941	11.1
53.81929	1.6
55.01867	2.7
55.05514	15.9
56.29393	1.4
57.03427	8.6
57.07071	96.0
59.40596	1.6
67.05499	33.5
67.71381	1.7
69.03420	52.1
69.03755	2.1
69.07059	21.3
71.04985	7.6
71.08618	61.6
73.70762	1.6
79.05478	8.6
81.03408	100.0
81.07044	48.4
83.08607	24.2
85.02895	48.0
85.10172	31.4
89.06031	9.3
91.05486	3.9
92.09366	3.3
93.07036	9.3
95.08587	57.7
96.64232	2.3
97.02882	62.5
97.10175	9.7
99.04433	15.0
107.08594	3.7
108.04488	4.3
109.02872	41.1
109.10139	23.0
121.06499	11.3
121.10113	2.9
123.11699	12.2
127.03900	39.1
133.08595	3.4
137.13237	2.2
145.04958	14.8
165.12813	2.3
177.11296	1.9
187.14566	1.9
212.41466	2.1
239.23691	41.4
249.11011	14.0
250.11369	3.7
257.24692	4.0
295.22626	2.8
371.22610	4.3
383.27881	59.2
401.28922	63.3
520.26727	2.0
555.32550	12.5
556.33295	34.7
557.34167	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	556.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.3
57.03436	0.6
65.45377	0.2
67.05499	2.8
67.05831	0.3
69.07061	2.3
79.05479	0.9
81.07039	3.6
83.08600	0.5
83.75867	0.2
89.03899	5.5
91.05433	2.0
92.09389	0.4
93.07024	1.6
95.04990	0.3
95.08591	3.6
97.07308	0.2
97.10146	0.4
103.05508	0.3
105.07010	0.4
107.08609	0.9
109.10117	0.9
117.03358	20.4
119.08588	0.5
119.71153	0.3
121.10097	1.0
133.10135	0.3
134.03593	1.6
135.04376	1.9
135.11635	0.9
145.02827	75.8
147.11600	0.2
149.05959	9.2
151.11276	0.3
163.03893	1.0
177.05432	100.0
178.05795	0.4
186.05446	0.5
195.06505	0.6
251.09024	0.5
326.28098	0.3
327.25302	2.7
372.57626	0.2
452.36096	0.2
503.29889	9.0
521.31049	13.1
556.28448	0.5
559.27869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42883	0.3
55.01860	0.3
55.05507	2.5
57.03426	1.4
57.07070	1.3
58.35402	0.2
60.80042	0.2
65.80816	0.3
67.05490	1.9
67.79798	0.3
68.12255	0.3
69.07052	3.3
71.08624	0.6
77.96923	0.3
78.40923	0.3
79.05468	1.3
81.07041	2.7
83.08591	1.9
91.05458	3.5
92.09216	0.5
93.07025	1.5
95.04926	0.3
95.08583	2.1
97.06473	0.5
97.10165	1.3
97.88178	0.3
105.03379	7.8
107.04925	0.4
107.08643	0.6
109.10139	0.7
111.08060	0.4
114.37779	0.3
114.44185	0.3
119.04892	3.0
121.10126	0.7
122.03646	1.5
132.02080	0.7
133.02827	95.3
135.11679	1.3
137.06001	0.5
147.04393	5.6
149.13231	0.4
150.03113	4.6
151.03883	13.8
161.02307	66.1
165.05431	6.8
175.03882	3.4
178.02576	8.2
193.04933	100.0
194.05301	0.4
237.22145	0.5
249.07445	0.3
267.08453	0.7
273.03354	0.4
311.25754	0.5
329.26779	8.3
521.31006	16.2
578.47870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01543	0.3
53.00292	0.4
55.05500	3.0
57.03419	0.5
57.07071	1.4
60.17490	0.3
65.03949	0.4
65.10661	0.4
67.05494	3.7
69.07053	2.3
71.08607	0.5
71.96120	0.3
79.05478	1.8
81.07040	3.8
83.08609	2.4
91.05457	4.5
93.07011	1.9
94.57867	0.4
95.04955	0.9
95.08588	2.7
97.10149	1.5
105.03363	7.5
105.07009	1.8
107.04833	0.4
107.08597	1.6
109.06499	0.5
109.10150	1.9
111.04430	0.4
111.08031	0.4
119.04931	3.1
119.08531	0.8
121.10113	1.6
122.03640	1.7
132.02016	0.7
133.02829	93.9
133.10069	0.7
134.03177	0.5
135.11661	1.7
137.05954	1.7
145.10115	0.5
147.04369	4.6
147.11655	0.6
148.68843	0.4
149.13290	0.5
150.03104	3.2
151.03886	17.2
153.08954	0.4
156.09010	0.4
161.02307	67.9
163.11197	0.6
165.05443	6.8
165.09082	1.4
175.03889	3.0
178.02580	8.1
193.04932	100.0
194.05147	0.7
211.44830	0.4
227.12672	0.8
237.22157	0.6
252.98410	0.4
255.23119	1.4
275.20026	0.6
277.21725	0.5
293.20947	0.4
298.35568	0.4
329.26822	10.1
503.33829	0.4
521.30975	7.8
556.35248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
55.05512	0.3
65.03933	0.1
66.85276	0.1
67.05489	0.3
69.03421	0.1
69.07054	0.1
79.05473	0.7
81.07043	1.3
84.04484	0.2
85.54454	0.1
91.00146	0.1
91.05470	1.2
92.37630	0.1
94.04166	1.1
95.04931	0.2
95.08573	0.2
103.05447	0.9
105.07027	0.3
107.04924	0.3
107.08634	0.2
109.06509	0.2
119.04933	1.1
121.10118	0.1
122.03638	4.3
129.06943	0.2
131.04922	1.6
133.06413	0.2
133.10051	0.2
135.07967	0.2
136.03951	0.2
137.05962	100.0
138.06314	0.2
143.72945	0.2
149.09554	0.1
149.95709	0.2
151.07515	0.8
163.07523	1.6
175.11147	0.1
181.08551	2.6
193.06110	0.1
251.31068	0.1
275.19943	0.3
291.10138	0.5
301.53110	0.2
323.12625	0.2
341.13562	1.1
359.14609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.2
67.01833	0.4
67.05464	0.3
68.99789	0.2
71.63126	0.2
79.05481	0.3
81.03420	0.4
81.07030	0.2
82.66534	0.2
91.05466	1.0
94.04154	1.4
95.08559	0.3
95.64832	0.2
103.05429	0.8
109.32233	0.2
118.28600	0.2
119.04900	0.8
122.03618	4.4
126.26960	0.2
129.06952	0.3
131.04932	1.3
135.04398	0.9
137.05959	100.0
138.06314	0.3
147.04355	0.2
151.07549	0.9
153.01788	1.6
153.31134	0.2
157.06488	0.8
160.05219	0.8
161.05940	0.3
163.07532	1.3
171.02853	0.7
172.05132	0.2
175.07536	2.6
181.08580	2.6
187.07498	2.3
189.09178	0.4
203.08534	0.2
239.07251	0.2
271.09720	0.2
279.10175	0.3
291.09985	0.4
323.12726	0.3
341.13754	0.7
405.09741	1.9
491.99683	0.2
555.27490	0.3
556.09375	0.3
556.27734	0.4
557.10950	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30942	0.2
55.01864	0.5
57.03419	0.3
64.33114	0.2
65.03914	0.3
69.03404	0.3
69.07039	0.4
70.16431	0.2
79.05467	1.1
81.03404	2.0
81.07039	0.5
91.05449	2.6
92.05787	0.3
93.06925	0.3
94.04161	1.4
96.08932	0.2
97.06516	2.0
103.05450	4.5
105.07007	0.6
107.04932	0.4
109.06478	0.4
111.04438	0.4
112.73460	0.2
115.05438	1.4
117.06998	1.2
119.04899	0.5
119.08512	0.3
121.06467	0.5
122.03635	4.3
123.04451	0.6
123.08028	0.3
125.05939	0.3
128.06215	1.1
129.06972	4.3
131.04901	8.7
131.08556	0.6
132.05653	0.3
135.04408	0.3
137.05959	100.0
138.06265	0.3
141.06956	0.9
143.04878	1.2
143.08545	0.4
144.05661	0.3
145.06488	1.5
146.03723	0.3
146.07263	0.3
147.04442	0.4
147.08076	0.4
149.05968	0.4
151.03893	3.1
151.07513	3.9
155.09583	0.2
157.06490	2.8
158.07199	0.5
159.08038	1.3
160.05115	2.3
161.04793	0.3
161.05882	2.1
163.07518	11.4
165.05457	0.6
165.06862	0.3
167.06978	0.3
169.06461	0.3
171.07980	0.5
172.05156	0.6
173.05956	0.4
174.06732	2.1
175.07518	13.0
177.05545	0.4
177.09102	3.2
185.05952	1.4
187.07513	6.5
188.08282	0.5
189.09058	3.7
195.07985	0.4
199.07547	1.0
201.09074	1.8
205.08524	3.9
211.07553	0.4
211.76445	0.3
212.08575	0.3
213.09027	1.7
217.08551	2.5
219.08234	0.3
219.10161	1.3
222.06682	0.3
224.08473	0.3
235.07498	0.4
235.09618	1.5
240.07797	0.4
245.11682	1.2
247.07455	0.3
248.08112	0.4
251.10622	1.1
255.10062	1.1
265.08511	0.5
267.10028	0.3
279.10101	0.3
281.11612	0.4
283.09555	2.1
285.11182	0.5
291.10098	0.4
294.08871	0.3
295.09692	1.1
297.11255	0.4
297.14514	0.3
299.12735	1.2
309.11276	0.5
311.12762	0.4
317.11481	0.3
321.11185	0.3
323.12860	1.0
335.12729	0.4
337.14389	1.0
341.13782	0.9
341.17575	0.4
347.12488	0.3
349.14252	1.5
353.13754	1.4
359.18564	0.4
361.14435	0.3
367.15399	1.2
371.14847	1.6
379.15338	0.4
387.35239	0.3
397.16330	1.0
432.15555	0.5
473.19556	1.0
485.19510	0.4
491.20547	0.5
503.20517	2.0
521.21631	0.6
555.27972	0.3
556.27911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01857	0.2
55.05497	0.1
57.03428	0.5
58.11507	0.1
61.02912	0.2
69.03419	1.5
70.25126	0.1
70.71117	0.1
78.79252	0.1
79.05474	0.2
81.03391	0.6
81.07024	0.1
85.02888	4.1
91.05452	1.2
93.06949	0.1
94.04166	0.8
95.04947	0.2
95.08569	0.2
97.02869	1.3
97.06512	0.1
99.04436	0.2
103.05432	1.0
105.07009	0.2
107.04934	0.8
107.08552	0.1
109.02861	0.2
111.04474	0.1
115.05379	0.1
119.04932	1.3
119.08557	0.2
121.06516	0.2
121.10155	0.1
122.03638	2.5
125.05968	0.1
127.03912	0.5
131.04900	2.5
137.05960	100.0
138.06348	0.2
145.04930	0.2
147.04442	0.8
149.06017	0.2
151.03882	0.8
151.07526	0.7
153.05482	0.2
153.33777	0.1
161.05966	0.3
162.06696	0.2
163.07507	3.5
175.07463	0.1
177.05408	0.2
178.06238	0.1
179.07010	0.6
180.08759	0.1
181.08549	7.9
189.09177	0.1
191.06949	0.1
191.10735	0.2
196.07323	0.2
199.38756	0.1
207.10243	0.2
217.08746	0.1
225.91341	0.1
239.07585	0.1
327.12268	0.5
347.09253	0.2
359.14844	0.3
374.85617	0.1
377.15820	0.7
452.17972	0.2
555.23920	0.3
556.24310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03664	0.3
52.25427	0.3
55.01863	0.5
55.05479	0.5
65.03915	0.7
69.03403	0.3
70.06565	0.6
79.05476	0.5
81.07027	0.6
83.04942	1.2
84.08115	0.4
85.02897	1.2
91.05453	1.7
92.09306	1.0
93.03402	1.0
94.04153	1.4
95.04913	0.6
97.08775	0.3
103.05436	5.7
107.04915	1.1
109.06478	1.9
111.04439	2.6
115.05447	2.2
117.06961	2.0
119.04923	0.5
122.03620	5.4
122.20805	0.3
125.05984	2.7
128.06186	3.9
129.06972	24.3
129.10243	0.5
131.04893	18.9
131.08521	0.5
137.05948	100.0
141.55800	0.3
143.04918	3.1
143.08443	0.3
144.05676	1.3
145.06447	2.0
146.03581	1.5
146.07253	0.5
147.04393	1.2
147.08018	1.4
149.05949	1.2
151.03865	1.3
151.07506	1.5
153.05441	6.5
155.06007	0.5
157.06451	21.1
158.07243	1.6
159.04491	0.4
159.08002	0.3
160.05141	6.3
161.05997	4.0
161.09631	0.5
163.07498	8.3
171.08005	0.4
172.05141	4.8
173.05925	0.7
174.06715	9.2
175.07498	30.7
177.05482	0.3
177.09064	1.5
179.06998	0.4
185.05899	0.7
187.07498	39.8
188.08226	0.7
189.09056	28.0
191.06885	0.3
191.08455	1.1
199.07536	1.7
201.08983	0.4
202.07704	0.5
203.08484	3.2
205.08559	2.9
207.10101	1.7
211.07445	1.3
217.08562	7.1
219.08029	4.5
219.09972	0.6
220.08801	0.6
227.06927	0.7
231.07964	4.5
235.07465	0.4
235.09605	0.7
236.08255	1.4
237.09109	0.6
239.06931	1.3
240.07822	0.4
247.07530	3.6
248.08267	4.6
249.09003	0.5
251.10626	2.6
253.08687	0.4
255.06485	1.5
259.07425	2.7
260.08203	0.5
261.08987	1.4
263.10641	4.8
264.07776	1.3
265.08505	1.7
268.07126	1.1
270.08780	3.4
271.09515	2.7
276.07773	2.7
277.08444	0.5
279.10056	5.8
281.08023	0.7
283.09598	2.2
291.10092	8.7
292.10742	1.2
293.08200	0.7
296.10263	2.7
302.23849	0.3
308.10318	1.1
309.10989	0.3
311.12698	13.2
323.12683	12.2
329.13681	2.4
337.57727	0.4
341.13745	22.7
359.14774	1.4
405.41382	0.3
434.19763	0.3
465.76480	0.3
468.04016	0.3
491.86359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03048	0.3
50.91508	0.3
51.65354	0.4
55.01844	0.6
63.34724	0.3
65.03910	0.6
66.71362	0.3
66.95389	0.3
67.56203	0.4
69.03404	0.6
69.42664	0.3
70.06577	1.6
70.35978	0.3
71.77667	0.3
74.71475	0.3
79.05468	0.5
81.07039	0.6
83.04972	1.6
85.02889	2.9
91.05446	1.6
92.09272	0.7
93.03343	0.5
94.04144	2.1
97.02859	0.8
98.06064	0.4
101.04814	0.4
103.05455	7.3
103.53761	0.4
107.04948	0.8
109.06493	2.8
111.04424	2.3
115.05411	4.0
117.07000	2.1
119.04892	0.5
122.03635	5.4
125.05984	3.4
128.06180	4.4
129.06979	22.7
129.07945	0.8
131.04907	19.7
131.08539	0.8
136.53107	0.4
137.05952	100.0
143.04941	2.9
143.08586	0.5
144.05687	2.1
145.06496	3.1
146.03557	0.7
147.07996	1.8
149.05960	1.5
151.03853	1.5
151.07487	0.8
153.05450	5.5
157.06461	21.2
158.07216	0.8
160.05168	7.9
161.05984	3.4
163.07509	7.3
165.05435	0.5
172.05182	3.8
173.05916	0.5
174.06720	8.9
175.07509	31.1
177.09091	0.8
185.06010	0.7
187.07510	38.7
188.08244	0.7
189.09068	28.5
191.08566	2.4
196.05199	0.6
199.07513	1.7
202.07750	0.5
203.08516	3.6
205.08569	3.4
207.10066	1.9
208.08737	0.6
211.07518	1.3
217.08528	6.6
219.08044	3.7
219.10039	0.6
220.08833	0.6
227.07037	0.6
231.08031	4.3
233.09505	0.5
235.09601	0.7
237.08990	0.6
239.06964	1.4
240.07802	0.6
247.07465	3.7
248.08200	3.4
249.09209	0.6
251.10591	3.2
253.08600	0.6
255.06416	0.9
259.07541	1.5
260.08185	0.6
261.09103	0.7
263.10599	4.0
264.07782	2.3
265.08600	1.4
268.07233	0.8
270.08850	4.2
271.09537	2.1
276.07782	1.8
277.08551	0.8
279.10043	6.1
280.10718	0.6
281.08301	0.5
283.09631	2.8
291.10107	8.6
292.10684	0.5
293.08179	1.6
296.10345	2.5
309.11035	0.6
311.12717	13.3
323.12692	11.8
329.13748	2.0
341.13766	20.6
359.15005	0.8
567.32080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.128
Annotation	Lanceolatin B
Peak:m/z	Relative Intensity
57.07038	1.0
59.27059	0.9
59.64369	0.7
61.47593	0.9
65.03938	1.5
67.01849	15.3
68.99784	9.1
75.69912	1.0
79.01838	1.0
81.03391	1.1
81.07054	1.7
89.11561	0.9
89.54060	1.0
93.03405	4.3
97.02863	3.6
102.87288	0.9
107.08590	0.9
121.02778	1.0
127.51015	0.9
129.01868	1.7
133.02861	1.9
133.06470	8.8
135.04395	23.3
135.98471	0.9
136.14551	1.0
137.05963	1.3
140.42865	1.1
153.01804	46.4
157.06493	1.5
159.04405	4.1
171.02844	33.4
177.05446	5.2
183.04445	1.0
193.04985	2.4
213.05536	1.0
225.05350	1.3
226.06297	1.7
253.04909	7.3
255.02727	1.5
256.07327	2.1
271.06094	1.6
284.06693	5.8
295.06238	1.4
297.03854	5.0
343.09558	1.2
384.19727	1.1
388.09491	5.2
389.09637	1.2
403.11697	82.2
429.09698	10.4
555.12738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.9
56.95085	0.5
65.03928	0.7
68.85992	0.6
69.03412	1.5
69.07056	1.2
70.06586	1.5
72.08134	0.8
78.70160	0.6
79.05476	1.2
81.03423	1.2
81.07040	3.2
83.04919	0.6
83.08587	0.8
84.04503	1.2
85.02898	5.2
91.05459	1.5
93.06998	0.9
95.04918	0.7
95.08591	2.4
96.08925	0.6
97.02898	1.4
99.04459	1.1
103.03932	2.4
103.05466	8.6
105.07030	2.5
107.08577	3.6
109.10144	3.9
119.04894	1.3
119.08588	0.8
121.10144	2.5
127.03905	3.0
129.07013	1.0
131.04918	12.6
133.06479	1.0
133.10150	0.7
137.05965	13.3
137.09544	0.8
145.04962	0.6
147.04410	2.5
149.05936	0.7
163.07539	3.2
175.07524	0.9
185.04123	0.8
193.15894	1.0
276.46365	0.8
283.07645	0.7
285.09293	5.6
287.07333	3.3
308.09998	0.7
329.08292	1.2
343.92346	0.8
347.09360	11.8
411.19489	4.0
493.24176	7.8
495.21774	1.2
537.23047	0.9
555.24036	100.0
556.24170	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	554.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28285	0.2
67.05499	0.3
69.07046	0.3
76.60479	0.3
77.76971	0.2
78.18598	0.2
79.05494	0.5
79.69637	0.2
81.07053	0.6
89.03901	5.9
91.05467	0.6
93.07030	0.4
95.04983	0.3
95.08619	0.4
101.14937	0.2
102.46998	0.3
103.05424	0.3
105.07024	0.3
107.08576	0.4
115.86782	0.3
117.03365	26.6
119.04958	0.4
119.08636	0.3
121.10158	0.4
134.03613	1.3
135.04399	10.9
137.05956	0.4
145.02834	80.4
146.03160	0.4
149.05968	9.8
163.03899	0.5
177.05438	100.0
178.05745	0.6
186.05548	1.4
251.09019	1.6
266.77740	0.3
343.24774	1.2
398.55664	0.3
519.29437	8.5
547.04047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59819	1.8
53.03946	2.2
55.01863	4.0
55.05511	23.9
55.33575	1.7
57.03427	4.4
63.72292	2.2
65.55233	2.2
67.05497	52.6
69.04537	4.4
69.07063	16.8
71.04978	41.3
79.05476	37.7
81.03384	2.2
81.07039	100.0
83.04963	4.7
83.08600	15.3
85.06528	3.4
91.04942	4.2
91.05456	49.9
92.09364	4.5
93.07032	38.5
95.04942	20.0
95.08591	28.6
97.06521	11.1
105.07008	33.9
107.04944	10.3
107.08579	29.5
109.06503	17.8
109.10151	16.5
117.07020	11.7
119.07784	4.2
119.08517	26.2
121.06487	4.3
121.10110	16.6
123.08061	3.9
123.11670	10.3
129.07018	2.6
131.08589	16.6
133.10110	32.2
134.64470	2.3
135.11670	4.4
143.08601	3.6
143.87344	2.6
145.02779	2.8
145.10098	12.9
147.11652	13.3
149.09612	13.8
149.13249	2.8
151.11180	5.2
159.11678	13.7
161.13219	2.3
163.11214	17.5
183.13831	5.5
187.13274	5.3
223.13286	3.9
229.19493	3.0
257.19009	5.7
259.11438	2.9
275.20023	71.8
293.21017	31.2
302.74411	2.6
307.22565	14.7
375.88199	2.7
548.27441	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	554.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28664	2.2
55.01882	7.0
55.05504	28.3
57.03430	2.7
63.55511	2.6
67.05495	55.4
69.07062	31.9
71.04974	5.3
73.04718	4.4
75.64825	2.2
79.05487	37.2
81.07049	76.2
83.04984	4.7
83.08614	27.7
91.05785	13.4
93.07025	48.2
95.04911	4.7
95.08597	100.0
97.06519	12.7
97.10150	5.5
105.07014	13.5
107.08583	26.5
109.10155	46.1
111.08068	10.3
115.11064	2.5
119.08563	15.0
121.10148	26.2
123.08064	4.1
123.11709	9.3
131.08560	12.5
133.10101	13.7
135.11693	13.8
137.09647	2.7
137.13255	5.3
137.31303	2.3
139.11182	3.6
145.10127	11.8
147.11670	4.3
149.13240	9.3
151.11093	2.3
159.11667	11.4
205.83835	2.6
215.17931	9.0
223.06422	4.2
225.04225	19.3
227.02191	4.5
233.18947	21.9
251.19991	41.9
269.21075	16.6
285.00903	4.9
299.06174	4.5
303.02084	3.0
355.06970	5.3
356.06653	3.1
402.12122	2.7
465.36969	4.1
483.37903	3.8
501.39319	36.2
519.40564	32.6
537.41431	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81562	0.2
55.01855	0.2
55.05495	0.8
57.03431	0.3
67.05491	1.0
69.07064	1.0
79.05471	0.5
81.07047	1.0
83.08591	0.4
83.20467	0.2
83.50298	0.2
89.03895	5.1
91.05460	0.5
92.08669	0.2
93.07024	1.2
95.08589	1.3
99.83815	0.2
103.05453	0.3
107.08614	0.3
107.28442	0.2
109.10138	0.3
110.99935	0.2
117.03359	24.8
121.10089	0.5
122.37499	0.2
130.01105	0.2
134.03601	1.7
135.04382	2.2
142.52156	0.2
145.02827	79.0
146.03210	0.4
149.05959	10.9
163.03867	0.9
177.05431	100.0
178.05719	0.4
186.05469	0.8
251.09132	1.9
251.19930	0.4
305.71384	0.2
321.38223	0.2
325.23727	0.3
343.24628	1.1
519.29437	12.8
528.77881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
53.45684	0.7
53.66618	0.7
55.01862	0.7
55.05510	9.2
56.82849	0.6
57.03409	1.9
57.07064	1.3
61.02907	3.9
64.73992	0.6
67.05478	4.1
69.03423	7.8
69.07058	16.3
70.06564	1.8
71.04974	1.7
72.08138	1.4
73.02911	1.1
79.05468	3.6
81.03407	3.8
81.06599	1.0
81.07042	16.9
83.04988	1.3
83.08279	0.6
83.08608	9.5
84.04482	0.8
85.02892	31.4
85.06535	1.8
85.07904	0.7
86.09632	1.0
91.03970	0.9
91.05453	3.5
93.07028	14.7
95.04941	1.1
95.08586	34.8
97.02882	11.7
97.06510	3.8
97.10159	6.0
99.04420	1.9
99.08071	13.3
105.07024	4.8
107.08585	39.6
108.10732	0.7
109.02859	3.7
109.10136	8.6
111.04455	1.0
111.08078	7.0
113.09660	1.1
119.08566	2.9
121.10129	67.8
123.08060	1.3
123.11668	1.5
125.05909	0.8
125.09590	5.0
127.03893	6.3
129.07043	0.9
131.04892	1.1
133.06531	0.8
133.10118	1.4
135.04398	1.0
135.11661	12.7
137.05968	8.0
137.13245	7.1
145.04974	6.6
149.13223	4.4
151.03882	1.0
151.07458	1.7
152.07028	0.8
153.05424	1.1
163.03860	1.1
163.05971	1.2
171.06479	6.4
176.15221	0.9
177.16364	100.0
195.17401	17.1
213.18471	39.2
331.15393	1.5
375.23862	1.4
422.26389	1.1
526.67706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.0
53.03939	1.8
55.01862	3.0
55.05235	1.4
55.05502	32.5
57.03425	5.5
57.07066	11.7
65.03922	2.8
67.05488	31.9
68.99783	1.3
69.07054	33.9
71.08617	2.0
79.05466	18.5
81.03389	1.4
81.07038	39.5
83.04971	2.4
83.08597	13.7
85.06509	1.3
88.07639	1.2
91.05460	28.6
93.03377	2.0
93.07021	18.2
95.04948	4.7
95.08592	26.8
95.73912	1.2
97.06516	2.3
97.10153	10.2
103.05453	9.7
105.07010	10.8
107.04918	6.3
107.08547	9.3
109.06499	3.1
109.10142	8.8
111.04460	2.9
115.05433	8.4
117.06992	7.5
119.04897	11.1
119.08557	7.2
120.02071	6.5
121.02834	2.2
121.10135	7.2
123.04408	1.7
125.06010	1.7
129.06953	3.0
131.04901	16.9
133.02817	7.9
133.06470	2.3
133.10098	7.3
135.04404	7.6
135.07983	2.0
135.11664	8.8
137.05957	16.8
137.13159	1.8
138.03075	2.3
138.67860	1.2
141.05457	1.5
143.04897	2.5
143.08582	1.6
145.06477	15.3
145.10165	1.4
147.04385	33.6
147.11685	2.2
149.02339	5.7
149.05957	6.5
149.09576	1.6
149.13219	1.6
151.03851	2.3
153.05447	48.3
157.06456	2.4
159.04359	11.3
159.08057	1.9
160.36862	1.2
161.02328	7.0
161.05959	16.3
163.03873	11.5
163.07564	2.3
163.11160	1.7
165.05475	25.5
173.05966	13.8
173.15222	1.1
175.03893	2.3
175.07498	6.2
176.04642	2.9
177.05400	12.1
178.02580	1.8
179.03409	2.4
179.07024	13.5
179.94666	1.4
181.04945	7.9
187.03877	7.5
187.07497	6.7
189.05492	8.8
191.03343	12.5
191.07002	19.6
191.10773	1.5
192.04144	13.5
193.04968	15.9
193.08598	1.9
195.06474	1.8
201.05379	1.6
201.09219	1.6
203.07014	6.3
204.04137	7.6
205.04933	8.1
205.08551	2.6
206.05782	1.7
207.06448	13.8
209.04396	9.6
213.09081	1.4
219.06494	42.5
219.10027	4.5
227.12573	2.2
233.08119	1.8
250.89474	1.4
265.07071	5.2
275.19998	2.0
283.08185	2.9
291.19513	2.2
293.20923	1.6
357.26221	1.7
385.23495	1.8
399.25223	8.0
401.26801	2.4
417.26276	26.9
427.24551	2.2
445.25836	19.0
491.29239	1.9
519.29462	100.0
537.29480	1.8
554.34448	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	554.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01863	21.4
55.05501	20.2
57.03429	9.6
57.07064	1.8
58.12166	1.0
59.30261	0.9
61.02909	6.2
64.33739	1.4
65.03922	1.1
65.55322	1.0
67.05489	23.8
69.03407	4.9
69.07056	48.3
71.04967	2.3
71.08613	31.7
73.02909	1.9
73.06517	2.6
79.05474	43.2
81.03396	22.1
81.06599	1.6
81.07040	30.5
83.04967	9.2
83.05396	1.2
83.08602	20.1
85.02904	12.6
85.06532	2.4
91.03934	2.4
91.05460	22.5
92.93634	1.0
93.07011	35.9
95.04945	13.1
95.08588	18.9
97.02853	7.3
97.06497	17.9
97.10144	5.4
98.97572	1.2
99.04436	2.7
99.08073	23.5
103.03896	1.3
103.05415	1.5
105.07022	10.8
107.04939	12.5
107.08569	49.5
109.02844	1.2
109.06512	5.6
109.10147	14.3
110.41344	1.3
111.04418	16.1
111.08060	18.8
114.37436	1.5
115.07518	1.3
117.06994	14.3
119.04908	1.4
119.08565	18.0
121.06473	6.0
121.10118	22.8
123.08038	2.5
123.11697	6.9
125.05962	14.7
125.09615	18.9
127.03879	1.5
129.06958	2.3
131.08548	21.9
133.06485	6.4
133.10092	10.7
135.04393	2.4
135.08047	12.6
135.11681	5.5
137.05965	24.4
137.09599	13.8
139.07532	1.4
139.11160	6.8
143.07008	28.6
145.06499	2.0
145.10083	9.7
147.04410	2.9
147.08047	2.3
147.11670	5.8
149.09586	21.5
149.13190	1.4
151.07593	1.6
151.11153	6.0
151.23683	1.2
153.09074	26.4
159.08012	5.4
159.11655	2.5
161.05975	1.7
161.08066	5.3
163.11136	8.2
165.09071	13.7
165.12714	1.7
167.10625	10.7
174.06845	1.7
175.07544	1.5
177.09058	4.9
181.08521	2.4
187.14764	1.6
189.09108	6.6
191.10612	2.3
191.17906	2.4
199.09622	2.1
201.11201	1.3
201.16397	8.3
203.17952	2.0
217.10716	2.7
219.17378	28.6
221.18994	1.6
229.15916	1.9
247.16867	36.2
257.13699	1.3
265.17938	41.8
283.18848	2.8
303.23126	1.5
321.20728	3.7
321.24008	2.7
325.14233	1.6
339.21613	65.1
339.25223	4.6
357.22635	100.0
358.22842	1.5
381.17773	1.3
410.60147	1.4
501.27573	1.5
519.27917	2.3
522.12091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01863	21.4
55.05501	20.2
57.03429	9.6
57.07064	1.8
58.12166	1.0
59.30261	0.9
61.02909	6.2
64.33739	1.4
65.03922	1.1
65.55322	1.0
67.05489	23.8
69.03407	4.9
69.07056	48.3
71.04967	2.3
71.08613	31.7
73.02909	1.9
73.06517	2.6
79.05474	43.2
81.03396	22.1
81.06599	1.6
81.07040	30.5
83.04967	9.2
83.05396	1.2
83.08602	20.1
85.02904	12.6
85.06532	2.4
91.03934	2.4
91.05460	22.5
92.93634	1.0
93.07011	35.9
95.04945	13.1
95.08588	18.9
97.02853	7.3
97.06497	17.9
97.10144	5.4
98.97572	1.2
99.04436	2.7
99.08073	23.5
103.03896	1.3
103.05415	1.5
105.07022	10.8
107.04939	12.5
107.08569	49.5
109.02844	1.2
109.06512	5.6
109.10147	14.3
110.41344	1.3
111.04418	16.1
111.08060	18.8
114.37436	1.5
115.07518	1.3
117.06994	14.3
119.04908	1.4
119.08565	18.0
121.06473	6.0
121.10118	22.8
123.08038	2.5
123.11697	6.9
125.05962	14.7
125.09615	18.9
127.03879	1.5
129.06958	2.3
131.08548	21.9
133.06485	6.4
133.10092	10.7
135.04393	2.4
135.08047	12.6
135.11681	5.5
137.05965	24.4
137.09599	13.8
139.07532	1.4
139.11160	6.8
143.07008	28.6
145.06499	2.0
145.10083	9.7
147.04410	2.9
147.08047	2.3
147.11670	5.8
149.09586	21.5
149.13190	1.4
151.07593	1.6
151.11153	6.0
151.23683	1.2
153.09074	26.4
159.08012	5.4
159.11655	2.5
161.05975	1.7
161.08066	5.3
163.11136	8.2
165.09071	13.7
165.12714	1.7
167.10625	10.7
174.06845	1.7
175.07544	1.5
177.09058	4.9
181.08521	2.4
187.14764	1.6
189.09108	6.6
191.10612	2.3
191.17906	2.4
199.09622	2.1
201.11201	1.3
201.16397	8.3
203.17952	2.0
217.10716	2.7
219.17378	28.6
221.18994	1.6
229.15916	1.9
247.16867	36.2
257.13699	1.3
265.17938	41.8
283.18848	2.8
303.23126	1.5
321.20728	3.7
321.24008	2.7
325.14233	1.6
339.21613	65.1
339.25223	4.6
357.22635	100.0
358.22842	1.5
381.17773	1.3
410.60147	1.4
501.27573	1.5
519.27917	2.3
522.12091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78257	0.4
55.01864	0.9
61.02921	1.0
66.59495	0.4
69.03416	2.7
78.22048	0.4
81.03399	1.1
81.07041	0.6
84.04485	0.8
85.02884	6.0
91.05436	2.5
94.04147	0.7
97.02875	1.1
103.05428	0.6
105.07006	0.8
107.04937	1.0
107.10170	0.4
109.02870	0.9
109.06525	1.0
111.04417	0.8
113.80227	0.4
115.05449	1.0
119.04901	1.0
121.06480	2.0
122.03634	3.0
123.04424	0.8
125.05979	0.9
127.03900	0.7
131.04918	1.2
137.05962	66.5
138.05446	0.6
143.04910	3.4
145.02800	0.5
145.04927	0.6
145.06467	0.6
146.03644	1.0
149.05960	5.1
151.07504	2.3
153.05460	3.7
161.05957	24.1
163.07552	1.2
165.06940	4.9
174.06754	0.9
175.07498	6.8
177.05507	0.8
179.07040	3.4
179.08548	3.0
181.08606	0.6
182.07271	1.0
187.07571	0.5
188.04663	5.5
189.09138	0.6
191.06970	3.1
193.06461	8.6
194.07161	0.5
195.07997	0.9
197.06104	0.7
197.09625	2.3
203.05235	1.0
203.07008	15.7
205.06599	0.6
205.08597	2.6
206.07243	0.7
207.08035	3.4
210.06723	6.4
211.07576	1.0
221.05957	20.1
221.08051	1.3
224.08255	3.6
225.05611	0.9
225.09074	25.2
233.08090	1.1
235.07552	2.8
237.09016	0.7
238.06148	6.5
239.06999	0.8
239.10591	3.9
249.09145	4.0
251.06924	1.1
252.07825	3.3
253.08543	44.8
254.09286	2.8
255.06491	1.2
257.11774	0.5
263.07040	1.0
265.08606	2.0
266.09381	0.7
267.10120	17.5
269.08176	0.7
270.08850	5.6
277.08554	7.4
279.06577	0.7
280.07288	2.2
285.11166	100.0
294.08759	3.1
295.09592	8.2
297.11066	7.6
307.09723	0.7
309.11124	13.1
312.09790	1.0
315.52380	0.6
325.10547	0.7
327.12225	78.5
339.12134	0.6
345.13275	71.9
357.13303	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	554.208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	9.0
63.05730	0.8
65.34000	0.9
69.03429	2.0
70.28220	0.8
70.33305	1.0
72.08121	0.8
72.93782	1.2
79.05480	6.7
81.03416	1.1
85.02882	10.0
97.02869	3.9
103.74972	1.0
107.04942	17.5
109.02859	1.3
110.03638	13.8
111.04427	6.1
121.06492	6.3
125.05978	64.2
127.03884	1.0
133.02789	8.9
135.04390	24.9
136.06169	5.0
137.06017	3.4
139.70044	1.0
140.44157	1.2
149.05972	17.9
150.03105	5.0
151.03893	77.8
153.05458	11.3
163.01042	1.0
163.03897	5.7
165.05449	36.2
167.07013	16.6
177.05426	25.1
189.05888	1.2
195.06476	18.5
213.07555	100.0
267.37405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.2
55.05497	1.3
57.03414	0.3
63.07579	0.2
63.66963	0.2
65.03925	0.5
67.05495	0.6
69.07046	0.6
76.03108	0.3
77.03902	0.4
79.05505	1.0
81.07039	0.4
83.08586	0.4
89.03894	0.4
91.05466	21.6
93.07004	0.5
95.04957	0.4
95.08564	0.4
100.83286	0.3
103.05458	0.6
104.02579	0.4
104.69784	0.3
105.03392	0.4
107.01320	0.3
107.04926	0.3
108.42320	0.3
117.03326	0.4
118.04140	1.3
119.04930	33.2
121.02865	1.7
121.06442	0.3
122.03635	1.4
129.03349	0.6
132.02071	5.9
133.02831	1.3
134.03627	0.4
135.04416	1.1
136.05161	2.3
145.02838	2.8
146.03593	2.6
147.04396	41.4
148.05154	1.5
149.02318	3.3
149.05960	0.4
150.03102	1.3
151.07503	1.4
157.03986	1.6
160.00197	0.4
160.01527	12.0
162.03093	4.8
162.36736	0.3
163.03877	1.5
164.04659	5.7
174.03079	0.6
175.03880	66.9
176.04520	1.3
177.01817	0.3
177.05482	0.3
178.02583	6.4
179.07013	11.1
192.04131	5.1
193.04929	3.0
207.06508	100.0
208.06873	1.0
329.26675	0.4
350.26581	0.3
525.37476	0.3
535.25281	0.3
535.32642	7.4
553.33191	0.6
564.40979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
55.05509	0.6
57.03416	0.2
57.86997	0.2
60.58072	0.2
65.03931	1.3
67.05489	0.6
68.43187	0.3
69.07047	1.3
73.58788	0.2
77.03905	0.5
79.05507	0.6
81.07038	0.6
83.08606	0.3
89.03913	1.0
91.05463	41.3
95.04939	0.3
95.08611	0.5
103.05453	1.3
105.03365	0.3
117.03337	0.4
118.04158	0.4
119.04923	62.0
121.02815	0.5
122.03645	0.5
122.27728	0.3
129.03340	1.3
131.04849	0.3
132.02032	3.3
133.02863	0.5
135.04378	0.9
136.05176	1.5
145.02855	2.0
146.03616	0.5
147.04391	53.4
149.02312	3.0
156.10313	0.3
157.03949	4.1
160.01532	3.3
162.03096	1.0
163.03874	0.4
164.04674	3.4
175.03876	81.4
176.04361	0.5
177.05415	0.5
178.02608	1.0
179.06990	6.9
192.04149	2.5
193.04872	0.3
207.06502	100.0
208.06773	0.4
239.73721	0.3
243.00356	0.3
359.89447	0.3
380.15063	0.3
473.34470	0.5
492.02731	0.3
535.32605	5.6
553.33069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3372
Annotation	Sanjoinine G1
Peak:m/z	Relative Intensity
50.33793	0.2
55.01860	0.2
55.05497	1.2
57.03428	0.8
57.07063	0.2
63.06833	0.2
65.03928	0.8
67.05482	1.0
69.04529	0.3
69.07049	1.5
69.67245	0.2
77.03899	0.4
79.05478	0.8
81.07033	0.8
83.08602	1.1
89.03930	1.3
91.05464	29.4
92.09406	0.3
93.07024	0.4
94.63956	0.2
95.04951	0.4
95.08575	1.0
97.10133	0.3
103.05428	0.8
105.03343	0.4
107.04916	0.2
107.08587	0.3
112.94228	0.2
117.03371	0.2
118.04125	0.4
119.04923	55.2
120.05273	0.4
121.02853	0.3
121.10117	0.2
122.03587	0.2
129.03343	0.9
131.04903	0.7
132.02025	2.3
133.02873	0.6
135.04387	0.4
135.11688	0.2
136.05174	0.8
145.02829	0.9
146.03638	0.2
147.04390	51.1
148.04800	0.2
149.02332	2.4
157.03951	4.8
160.01537	0.3
162.03123	0.4
164.04660	2.4
174.03139	0.3
175.03874	80.8
176.04277	0.8
178.02599	0.2
179.06996	4.4
192.04152	3.1
207.06499	100.0
208.06772	1.1
274.17224	0.2
281.10162	0.8
311.25809	0.2
329.26761	0.8
411.25635	0.2
422.74118	0.2
535.32587	10.9
536.32770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1123
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
61.93060	0.2
62.31237	0.3
65.03914	0.3
67.01851	1.7
67.05490	0.2
68.99773	2.3
71.57658	0.2
76.52146	0.3
79.05455	0.4
82.91519	0.3
95.04964	0.4
109.06454	0.4
121.02833	6.3
121.03674	0.4
125.00009	0.4
125.05907	0.6
126.64045	0.3
133.06479	1.9
135.03372	0.5
135.04390	11.2
135.05370	0.6
153.01799	11.4
155.04919	0.6
159.04381	3.7
163.03906	0.3
169.06462	0.3
171.02896	0.6
177.05489	1.2
184.07297	1.3
185.07523	0.3
195.04379	0.4
197.05986	0.4
199.03905	0.4
201.05458	0.4
225.05455	1.4
237.05315	0.5
241.04922	0.3
251.03374	0.6
253.04858	0.5
255.06409	3.9
256.07333	0.3
269.04419	2.0
279.06537	1.1
283.05957	9.2
284.06732	1.8
291.06479	0.5
305.04492	0.7
306.05280	0.4
307.05930	6.4
308.06674	0.6
310.04706	0.4
311.05508	1.9
316.07315	0.7
319.05923	4.9
320.06799	0.6
321.07462	3.3
323.05380	0.4
331.06055	1.5
332.06827	0.5
333.03964	0.9
333.07541	0.6
334.04730	1.6
335.05411	9.3
337.03738	0.5
345.07431	0.4
347.05435	8.0
348.06235	0.5
349.06995	1.3
355.04407	0.3
359.05322	2.4
359.09210	1.4
361.03265	0.4
361.07101	0.7
375.04999	1.4
376.05765	1.4
377.06476	14.8
379.04193	0.3
389.06570	0.5
401.10275	4.2
403.04367	14.0
418.06628	1.5
421.05362	3.6
445.08691	0.4
511.10242	2.4
521.08600	2.8
553.11176	100.0
554.11469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.05499	43.8
56.88732	4.5
57.03420	28.5
67.05490	83.6
69.07049	13.0
79.05470	100.0
81.03397	50.5
81.07030	65.1
83.04971	13.7
83.08612	26.1
85.02880	24.6
91.05456	70.3
93.07014	89.5
95.04943	46.6
95.08588	40.1
97.06497	8.4
105.07001	45.3
107.08576	26.5
109.10133	8.8
111.08110	8.6
119.08547	39.6
121.10128	43.3
123.08053	6.5
129.06952	7.6
131.08568	9.9
133.10104	26.1
135.11615	12.3
145.10178	6.4
147.11705	8.3
157.10149	11.6
193.12187	29.6
211.13298	28.6
255.61826	5.6
285.16864	43.3
307.22610	77.7
517.35059	66.5
552.39331	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	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.1
55.05499	0.3
57.03426	0.1
58.06562	0.2
58.62718	0.1
60.08150	8.2
60.96033	0.1
67.05485	0.9
69.07057	0.2
71.07359	2.9
71.08607	0.2
73.51472	0.1
79.05459	0.3
81.03380	0.7
81.07034	1.0
83.08578	0.2
86.09689	43.6
91.05452	0.3
93.07037	0.2
95.08553	0.2
96.53223	0.2
98.98444	3.4
99.08101	0.2
104.10719	6.1
104.11379	0.3
119.08559	0.4
124.75870	0.2
124.99979	31.5
137.05960	0.2
143.01068	0.4
147.11697	0.2
148.03773	0.2
184.07306	100.0
185.07666	0.2
259.92007	0.2
294.12985	0.2
294.35556	0.2
306.60471	0.2
319.41483	0.2
354.03180	0.2
534.32031	1.4
551.27557	0.2
552.33057	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	552.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05023	0.6
57.03431	0.2
59.69998	0.1
60.08150	8.9
60.08463	0.3
67.05496	1.1
69.07036	0.2
71.05007	0.2
71.07355	3.4
71.08606	0.2
71.37659	0.1
79.05476	0.6
81.03387	0.3
81.07034	0.8
83.08604	0.3
85.06516	0.2
86.09689	47.1
91.05447	0.3
93.07022	0.6
95.04959	0.4
95.08624	0.2
97.06540	0.2
98.98445	4.1
104.10728	4.2
105.07039	0.3
107.08578	0.6
109.10142	0.2
113.05958	0.4
119.08535	0.2
120.09007	0.2
124.99979	34.0
129.80966	0.2
130.27846	0.1
131.08531	0.3
133.10165	0.2
133.52698	0.2
135.04474	0.2
135.11652	0.2
143.01053	0.7
145.10127	0.2
152.37399	0.2
152.76910	0.2
170.54283	0.2
173.09555	0.2
184.07303	100.0
258.10889	0.2
373.23376	0.8
391.24649	0.2
452.24136	0.2
534.31726	2.5
552.33228	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	2.7
55.01863	25.8
55.05508	18.2
57.03429	33.6
61.02901	20.3
65.03954	2.8
67.05482	62.3
67.05810	4.0
69.03410	6.2
69.07051	100.0
71.04972	6.2
73.02886	3.9
79.05467	67.4
81.03400	18.9
81.07036	78.6
83.04974	10.0
83.08578	2.9
85.02888	16.9
86.09691	3.0
91.03939	3.1
91.05458	71.0
93.07023	64.1
95.04949	18.7
95.08584	45.0
97.02879	13.5
97.06496	44.8
99.04418	3.0
99.08086	4.1
103.03945	6.2
105.07012	41.0
107.04927	22.5
107.08560	31.4
109.06530	5.7
109.10136	15.7
111.08058	4.9
117.06995	34.0
119.08566	31.5
121.06526	5.5
121.10135	22.9
123.08054	11.6
127.07541	10.0
129.05443	5.1
129.06970	10.8
131.08533	38.9
133.06447	5.7
133.10112	30.4
135.07983	23.8
135.11711	5.2
136.77751	2.4
137.05959	11.1
137.09566	14.0
138.07913	2.5
141.06975	5.7
143.08530	11.0
145.10057	20.9
147.08029	5.6
147.11745	2.6
149.09599	36.7
151.11154	6.0
157.10074	5.0
159.08057	3.0
159.11667	11.1
161.09595	5.6
163.07544	2.8
163.11208	6.0
165.09044	4.4
169.10147	4.7
171.10121	11.1
171.11557	3.0
173.13148	3.7
175.11118	4.2
183.10217	3.5
184.07356	4.6
185.13089	3.7
187.11130	5.4
187.14833	15.7
201.16310	10.0
211.14792	2.8
229.15869	16.1
247.16852	19.4
272.14743	2.8
283.42249	3.1
321.20508	94.5
339.21512	5.0
352.91586	2.6
355.15350	9.5
373.16351	3.2
422.92886	3.0
447.98596	3.4
454.22205	3.0
535.86926	3.0
552.28619	5.0
553.28345	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	552.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.1
59.24636	0.5
67.05486	2.7
69.03413	1.2
69.07052	9.6
81.03352	0.7
81.07040	3.3
83.08605	3.5
85.02911	4.4
89.62930	0.6
91.05456	2.5
91.80657	0.5
93.07030	2.7
95.08587	9.6
97.02885	2.5
99.50649	0.5
101.85230	0.5
105.07010	10.0
105.07693	0.9
105.58401	0.7
107.07967	0.5
107.08547	4.9
109.10148	10.8
119.08557	43.8
121.10112	4.1
130.34464	0.6
131.08469	0.8
133.10106	44.3
135.11684	3.3
136.44699	0.6
136.88245	0.5
137.09587	3.1
145.10100	2.3
147.11673	7.5
159.11546	0.6
160.12492	1.3
167.56590	0.7
175.14786	100.0
175.46820	0.5
176.15184	0.6
185.21188	0.6
193.15858	11.5
193.73595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
54.48321	1.6
55.01862	2.9
55.05506	44.7
57.03424	7.2
57.07070	2.4
61.02910	4.6
67.05498	42.4
69.03413	33.1
69.07056	14.9
71.04980	18.1
72.08144	3.8
76.02220	2.8
79.05476	13.9
81.03397	19.3
81.07037	33.9
83.04482	2.9
83.04957	44.5
83.08600	7.8
84.04503	2.8
84.08115	1.8
85.02892	78.0
85.06541	2.2
87.04453	1.6
91.05459	11.2
93.07022	27.7
95.04940	12.3
95.08582	79.9
97.02869	34.3
97.06514	2.7
99.04436	58.6
103.03925	81.2
105.07006	26.3
107.08582	21.1
109.02895	18.7
109.06536	2.7
109.09389	2.6
109.10141	64.6
111.08074	7.4
111.11737	2.2
116.01669	3.0
119.08562	39.3
121.10120	9.7
123.08057	2.7
123.11658	4.6
125.09567	3.9
127.03895	98.6
130.08615	2.4
131.04955	2.1
131.08521	3.4
133.10120	33.7
135.08038	2.3
135.11658	12.2
137.05975	7.8
137.09599	100.0
142.07776	4.0
145.04948	42.7
147.04353	3.5
147.08051	2.9
147.11649	10.6
149.09532	2.1
149.13248	3.4
151.11113	2.8
157.10130	3.1
158.81802	2.0
163.06006	51.4
163.07368	4.2
165.09126	1.9
173.09630	1.7
175.11111	15.3
175.14796	26.8
178.04846	2.4
179.14391	2.0
193.12065	3.2
193.15855	80.8
211.01378	1.9
211.16818	3.9
228.16634	2.1
271.07925	7.4
289.09119	7.7
307.10178	43.4
337.16449	2.3
387.15439	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	552.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
54.48321	1.6
55.01862	2.9
55.05506	44.7
57.03424	7.2
57.07070	2.4
61.02910	4.6
67.05498	42.4
69.03413	33.1
69.07056	14.9
71.04980	18.1
72.08144	3.8
76.02220	2.8
79.05476	13.9
81.03397	19.3
81.07037	33.9
83.04482	2.9
83.04957	44.5
83.08600	7.8
84.04503	2.8
84.08115	1.8
85.02892	78.0
85.06541	2.2
87.04453	1.6
91.05459	11.2
93.07022	27.7
95.04940	12.3
95.08582	79.9
97.02869	34.3
97.06514	2.7
99.04436	58.6
103.03925	81.2
105.07006	26.3
107.08582	21.1
109.02895	18.7
109.06536	2.7
109.09389	2.6
109.10141	64.6
111.08074	7.4
111.11737	2.2
116.01669	3.0
119.08562	39.3
121.10120	9.7
123.08057	2.7
123.11658	4.6
125.09567	3.9
127.03895	98.6
130.08615	2.4
131.04955	2.1
131.08521	3.4
133.10120	33.7
135.08038	2.3
135.11658	12.2
137.05975	7.8
137.09599	100.0
142.07776	4.0
145.04948	42.7
147.04353	3.5
147.08051	2.9
147.11649	10.6
149.09532	2.1
149.13248	3.4
151.11113	2.8
157.10130	3.1
158.81802	2.0
163.06006	51.4
163.07368	4.2
165.09126	1.9
173.09630	1.7
175.11111	15.3
175.14796	26.8
178.04846	2.4
179.14391	2.0
193.12065	3.2
193.15855	80.8
211.01378	1.9
211.16818	3.9
228.16634	2.1
271.07925	7.4
289.09119	7.7
307.10178	43.4
337.16449	2.3
387.15439	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	552.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81977	0.3
55.05502	3.1
55.40647	0.3
57.07046	0.6
58.04329	0.3
61.81742	0.3
67.05504	2.9
69.03407	0.5
69.07061	9.7
71.65234	0.4
79.05425	0.5
81.07054	2.9
83.08598	2.0
85.02888	3.5
85.06528	0.5
91.04025	0.4
91.05457	2.9
93.07033	2.2
95.08016	0.4
95.08585	8.5
99.04446	0.6
105.07016	8.8
107.08588	3.7
109.06456	0.5
109.10150	7.9
117.06983	0.7
119.08567	43.8
121.10130	1.9
131.08545	0.8
133.10115	40.2
135.11662	3.3
137.09618	2.7
144.25102	0.4
145.10094	1.5
147.11670	6.7
149.13271	0.6
151.14806	0.8
160.12479	1.9
172.37077	0.5
173.13168	1.8
175.14801	100.0
176.15099	1.5
177.16359	0.4
193.15862	11.9
268.36392	0.4
321.56549	0.4
350.32513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.01860	0.1
56.22987	0.1
57.03424	0.2
61.02905	0.4
61.81806	0.1
64.12552	0.1
69.03413	1.5
81.03382	0.1
83.04964	0.5
85.02891	3.4
91.05468	0.4
94.04150	0.2
97.02897	0.7
99.04462	0.1
103.05441	1.2
107.04926	0.6
109.02855	0.2
111.04427	1.2
117.59092	0.1
119.04917	0.4
121.06427	0.1
122.03626	1.9
127.03892	0.2
129.05466	1.5
131.04898	2.9
137.05957	100.0
138.06303	0.5
145.05003	0.2
147.06540	1.3
151.07524	0.5
159.25146	0.1
163.07512	2.3
168.17094	0.1
175.06001	0.9
181.08559	11.7
192.35416	0.1
193.04997	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	552.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
53.55731	0.7
55.01849	1.6
55.05509	11.8
57.03421	4.9
57.07080	1.6
59.04977	1.4
61.02914	6.2
61.79391	0.9
67.05483	11.9
69.03412	20.7
69.07056	34.5
71.04974	19.3
73.02899	1.6
73.15385	0.9
79.05464	7.4
81.03389	18.9
81.07034	28.7
83.01330	1.1
83.04971	1.6
83.08606	19.1
85.02888	81.9
85.06523	5.7
91.05463	6.4
93.07019	28.5
95.04960	4.7
95.08582	50.3
97.02860	30.1
97.06504	25.5
99.04430	58.9
99.08072	4.0
103.03920	86.4
105.07016	15.7
107.08572	42.9
109.02863	20.6
109.06499	16.0
109.10136	53.9
111.08071	5.1
111.46998	0.9
112.81181	1.0
113.09659	1.1
115.07545	12.4
119.06043	1.0
119.08560	46.8
119.09394	1.9
119.61440	0.9
121.10105	16.1
122.85649	1.0
123.08041	12.4
123.11681	19.9
125.09605	1.9
127.03888	100.0
127.11171	4.7
131.04947	1.2
131.08542	1.9
133.10104	86.6
135.11668	71.4
137.05948	4.0
137.09596	10.2
139.11174	1.5
141.12776	1.5
145.04942	41.6
145.10104	1.8
147.11641	6.8
149.13240	18.4
151.11131	1.2
151.14862	0.9
153.12733	7.1
163.05978	38.8
163.14740	1.2
175.14778	85.8
177.16341	10.2
181.15848	1.1
187.05983	4.3
193.15849	84.4
203.89661	0.9
205.07140	1.5
211.16899	84.7
229.18021	4.5
252.75540	0.9
271.08099	5.1
289.09210	5.6
307.10190	15.1
495.15234	1.3
569.43347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01871	1.5
55.05503	11.1
57.03422	2.1
57.07060	2.3
61.02921	2.2
61.58754	1.0
61.59071	1.0
67.05493	10.8
69.03418	4.5
69.07057	39.4
69.07408	2.0
71.04989	1.0
73.02902	1.0
73.62842	1.0
79.05472	17.3
81.03414	2.5
81.07037	43.2
83.04971	1.8
83.08606	10.9
85.02419	1.6
85.02887	19.1
91.03947	1.4
91.05467	13.7
93.07027	38.9
95.04948	4.1
95.08585	63.2
97.02865	5.3
97.06502	5.8
97.10151	2.2
99.04439	2.2
103.03928	1.6
105.07015	79.2
107.04931	1.0
107.08577	51.4
109.02847	1.5
109.06505	3.9
109.10144	24.8
111.04403	1.1
111.08084	1.8
116.46986	1.1
117.07003	2.3
119.08559	88.8
121.06522	1.4
121.10124	46.7
123.08042	5.0
123.11697	1.8
125.09659	4.1
127.03904	5.2
131.08557	7.3
133.10101	60.3
135.11655	21.6
137.05853	1.1
137.09604	4.9
143.07036	2.3
145.04922	4.1
145.10103	3.7
145.21223	1.1
146.10936	1.2
147.08052	1.8
147.11670	24.0
149.13235	28.8
153.09091	2.3
153.20128	1.3
157.10086	1.7
161.13263	1.0
163.05991	1.2
163.11157	1.3
163.14798	17.8
165.08983	1.5
173.13226	1.8
175.14793	100.0
177.16350	79.2
193.14061	2.5
193.15849	77.6
194.05734	0.9
199.14780	1.5
205.15950	5.3
217.15942	1.8
245.15399	3.8
263.16360	1.8
319.18808	1.3
337.20081	10.8
355.21082	16.0
397.96960	1.2
407.77646	1.2
478.91852	1.4
545.15570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66650	1.5
55.01862	9.8
55.05514	22.7
56.05025	13.5
57.03424	2.6
58.99580	19.0
61.94356	1.6
65.03909	1.9
67.05486	4.0
68.05011	10.4
69.03426	3.8
69.07057	7.9
70.02944	11.2
71.04967	2.6
72.04500	8.0
74.00648	11.6
74.02427	2.3
74.31441	1.7
76.02206	25.0
76.04005	9.9
76.79876	1.7
79.05486	8.2
80.05026	13.4
81.03426	7.4
81.07035	15.3
82.06577	2.8
83.04967	1.9
83.06102	11.8
83.08598	7.2
84.04490	100.0
85.01115	67.6
85.01633	1.7
85.02885	15.1
85.04023	4.3
86.00638	61.1
86.99036	94.6
88.02213	12.5
91.05465	4.3
93.07014	11.2
95.04953	7.6
95.08617	9.1
96.04501	3.6
97.01102	19.8
97.02879	2.0
97.06516	4.2
97.10146	8.5
98.00611	9.6
99.01381	2.4
99.04427	2.4
99.05567	2.1
100.02204	15.2
102.03741	38.7
102.05505	25.7
103.03929	3.4
103.77431	2.1
105.07021	10.8
107.06109	2.8
107.08574	11.8
109.02918	2.2
109.06505	4.7
109.07656	9.4
110.06083	2.4
112.02173	53.4
112.02911	2.7
112.03932	3.5
113.00596	11.9
114.03726	23.9
114.05505	3.1
116.01662	37.2
116.02399	2.8
117.06989	2.3
119.08562	23.3
119.09345	2.3
121.10131	4.4
123.11771	1.8
124.02174	7.7
124.74600	1.7
125.00537	2.4
125.09587	3.4
126.03702	3.7
127.03902	4.5
129.06612	10.6
130.03188	21.7
130.04965	37.3
131.04529	3.1
131.08601	4.4
132.01125	2.9
133.10106	36.8
135.11705	10.1
137.05952	48.5
140.01653	8.4
142.03203	57.5
143.02725	57.7
144.01175	4.3
147.11725	2.8
148.65991	1.9
153.06569	7.4
155.08156	7.2
158.02699	9.0
162.02203	10.9
168.04778	7.3
169.04286	13.8
170.02687	8.0
171.02206	9.4
175.14769	22.6
177.03323	9.9
179.04878	9.1
181.05960	4.2
181.39040	2.1
184.05997	2.1
189.03262	95.5
193.12233	2.2
193.15852	14.4
196.04242	14.1
199.07048	2.7
205.06372	14.5
205.32973	2.1
207.06477	3.0
211.13268	2.5
215.04826	47.2
217.06445	7.9
223.07468	1.9
224.03836	3.7
233.05870	22.3
241.06393	3.1
245.05801	8.0
259.07513	3.1
265.08588	4.3
266.12094	9.1
269.05997	2.6
284.13165	2.5
287.06882	18.6
293.07953	2.6
299.06958	2.5
307.09866	4.2
320.15430	3.6
325.10602	11.1
334.10599	2.4
341.15289	2.3
343.11682	8.2
345.07220	3.3
355.11459	2.3
362.10086	15.3
405.16782	16.9
423.17715	2.5
534.21246	3.3
552.22192	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	552.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.9
55.05501	20.4
56.05025	13.0
56.05239	1.5
58.99569	17.3
61.14497	1.6
67.05479	6.4
68.05003	11.5
69.03416	3.3
69.07046	4.1
70.02938	7.0
71.04968	2.4
72.04494	7.4
74.00652	15.8
76.02212	23.2
76.03989	7.7
79.05467	8.2
80.04999	12.5
81.03390	7.3
81.05775	3.4
81.07041	11.0
82.06554	4.2
83.04984	2.8
83.06084	11.0
83.08615	3.5
84.04489	86.6
85.01114	60.9
85.02895	14.4
85.04004	3.0
86.00137	2.9
86.00637	57.8
86.99036	100.0
87.02677	2.6
88.02190	9.7
91.05448	7.7
93.07018	7.8
95.04931	10.1
95.08572	8.5
96.04498	6.6
97.01100	16.7
97.02869	4.1
97.06519	3.6
97.10149	7.5
98.00603	6.6
99.04427	4.0
99.05547	3.7
100.02185	14.6
102.03752	33.9
102.05527	25.9
103.03906	4.2
105.07011	13.8
107.04955	3.4
107.08563	12.2
109.06496	6.9
109.07620	3.4
109.10132	2.3
112.01412	2.2
112.02174	55.5
112.03928	7.0
113.00594	7.1
114.00112	2.8
114.03742	26.1
116.01642	41.3
119.08553	18.7
121.10114	7.0
123.11639	1.8
124.02163	9.1
125.09624	3.7
126.03677	2.6
126.05509	2.1
127.03908	6.9
129.06607	10.9
130.03210	21.0
130.04973	35.3
131.04596	2.1
131.08556	2.8
132.01053	1.9
133.10107	36.6
135.05528	1.9
135.11649	12.3
136.02161	2.5
137.05951	41.3
140.01611	3.7
142.03204	47.2
143.01735	1.8
143.02733	50.5
144.01129	9.3
145.04971	3.0
145.06070	2.9
145.10043	2.6
147.11678	6.9
149.13264	2.4
151.11183	2.0
152.01613	2.2
153.06534	2.9
155.08136	4.1
156.06558	3.0
158.02704	10.5
162.02168	11.5
168.04807	7.2
169.04286	10.3
170.02704	2.8
171.02231	8.5
175.07553	2.2
175.14795	22.1
177.03273	8.3
179.04849	9.7
181.06094	7.2
188.03748	2.6
189.03259	97.8
193.12231	1.8
193.15848	22.2
196.04253	18.0
199.07161	3.0
205.06474	17.7
215.04819	40.6
217.06352	2.7
223.96967	2.0
224.03719	2.9
233.05911	16.8
234.06682	1.9
245.05736	3.3
262.05927	1.9
265.08533	6.8
266.12070	2.6
284.12933	3.2
287.06818	12.8
293.08063	4.1
305.89996	2.0
307.09741	2.2
320.15137	6.9
325.10660	11.4
334.10876	2.0
343.11584	11.2
355.11694	3.2
362.09940	16.3
405.16730	16.5
423.17947	7.1
534.21356	3.4
552.22064	24.3
553.22412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91543	0.4
55.01849	1.2
57.03408	1.0
61.02910	0.9
69.03406	4.2
71.03796	0.5
71.04954	2.4
71.27416	0.5
75.38200	0.5
76.55923	0.6
77.45462	0.5
81.03387	1.2
81.07034	1.2
83.04972	0.6
84.04469	3.0
85.01115	1.1
85.02880	13.0
86.00634	1.0
86.99012	2.5
87.04426	0.6
91.05458	3.9
92.08675	1.0
93.06995	0.8
95.04917	2.1
95.08558	0.9
97.02841	4.0
98.93012	0.5
99.04414	2.5
103.03917	3.3
105.07005	3.6
107.08543	1.1
109.02885	2.0
109.06515	0.7
109.10176	0.8
111.04383	0.9
112.02150	0.7
115.05421	3.8
119.04927	3.4
119.08528	2.2
121.10097	0.5
122.03588	1.2
127.03920	3.8
135.04356	0.7
137.05943	31.5
141.03438	0.8
142.03146	0.6
143.02716	1.2
143.04906	2.6
145.04971	1.1
145.06454	2.7
147.04353	3.5
147.11647	2.4
149.05914	2.9
149.60773	0.5
150.06740	3.5
151.03851	2.3
153.05473	1.3
153.06787	0.8
157.10046	0.8
158.03543	0.8
159.04323	3.0
160.05132	4.8
161.05940	2.4
163.05983	0.6
173.05948	5.0
175.03874	2.5
175.07501	5.7
175.11124	2.4
175.14836	0.9
177.05510	0.8
177.06970	2.6
181.06335	0.6
181.08690	0.7
186.03088	7.4
187.03862	2.6
189.03264	2.2
194.07233	3.7
201.05402	22.6
203.06966	2.3
204.05702	1.2
205.06438	18.8
205.08321	0.9
206.07181	2.2
207.06511	0.7
209.09720	0.6
209.11664	3.7
211.07516	0.8
217.06332	0.6
219.07982	2.9
221.05927	3.4
221.09485	0.6
222.06706	11.1
223.07484	0.9
227.06880	0.7
229.14270	0.6
233.05923	25.1
233.07990	1.1
234.06604	5.1
237.09042	20.1
239.06972	3.3
246.06651	0.8
247.07434	4.7
248.08330	0.9
249.05466	3.0
249.09058	1.2
250.06203	20.2
250.08841	0.7
251.06886	3.6
253.08450	0.7
254.05621	0.7
254.09299	1.1
261.05374	3.8
262.06195	1.0
263.06961	1.1
264.07755	8.6
265.08524	46.5
266.09131	3.7
267.06476	3.6
268.07285	0.7
269.11710	0.7
275.07056	0.9
276.07755	0.8
277.04858	2.6
277.08453	2.5
278.05640	9.3
279.06393	2.6
279.10074	4.0
282.08740	5.6
283.09653	2.4
292.07175	19.6
293.07999	42.5
294.08813	2.2
295.05972	3.4
297.11157	13.5
305.08051	0.7
307.09561	46.2
310.08292	7.9
320.68979	0.5
325.10623	100.0
326.10846	0.9
337.10440	0.7
343.11679	60.2
344.12088	0.7
355.11691	0.8
421.41580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05509	0.5
56.42342	0.3
56.66265	0.3
57.03426	0.8
61.02909	1.6
62.79873	0.3
65.03938	0.4
68.06203	0.4
69.03406	2.2
71.04977	0.6
79.05457	0.5
81.03393	2.1
81.07036	0.5
84.04510	0.4
85.02901	9.3
86.00669	0.4
86.99045	0.5
91.05462	3.4
93.07002	0.7
94.04170	0.7
95.04932	0.8
97.02879	3.7
99.04443	0.7
103.03908	0.5
103.05434	0.9
105.07018	2.2
107.08591	0.9
109.02885	0.7
109.06519	0.5
114.03725	0.5
115.05425	2.3
116.01686	0.4
117.06997	0.8
119.04920	1.7
121.06509	0.9
122.03629	5.5
127.03889	2.3
129.07025	0.4
131.04910	1.6
133.06471	1.6
133.10176	0.4
135.08002	0.4
137.05960	100.0
143.04945	1.6
145.04964	0.5
145.06470	1.9
147.04402	1.7
149.05934	1.7
150.06728	0.5
151.03896	0.9
151.07573	0.5
153.05576	0.5
159.04364	0.9
160.05186	2.2
161.05962	3.1
170.15063	0.4
173.05969	3.5
175.03911	0.5
175.07506	3.0
177.05482	0.7
177.06967	0.7
178.07722	0.5
179.07060	0.5
179.08492	0.5
186.03053	2.1
187.03851	0.5
189.05432	0.9
191.08626	0.7
194.07283	0.8
195.07991	0.5
201.03667	0.7
201.05432	9.4
203.07004	2.5
205.06467	8.4
206.07236	0.5
207.06497	6.6
207.08165	1.3
208.34261	0.4
211.07486	0.7
217.06555	0.5
219.06245	2.7
219.08243	0.7
221.06003	0.6
222.06790	3.6
223.07501	0.8
225.09247	0.4
231.06491	2.0
233.05937	8.6
233.08061	0.7
234.06636	3.3
235.07501	0.5
237.09064	8.1
238.96458	0.4
239.06908	0.6
247.07527	1.6
249.05278	1.6
249.09013	1.7
250.06255	6.3
251.06908	2.5
261.05469	0.9
262.06210	1.7
263.06915	0.4
264.07745	2.0
265.08554	16.1
266.09454	0.9
267.06409	2.6
268.07407	0.6
275.07239	0.5
277.04935	0.5
277.08575	3.3
278.05630	4.1
279.06476	0.9
279.10095	1.9
281.08023	0.6
282.08856	1.6
283.09616	5.7
290.05777	1.5
292.07187	5.2
293.08026	13.3
294.08893	1.4
295.05911	0.7
297.11191	3.3
305.08011	2.3
307.09595	13.3
309.11093	2.0
310.08340	3.0
311.09100	0.9
322.08206	0.7
323.09140	0.9
325.10657	22.5
337.10745	5.3
343.11713	22.9
355.11728	10.4
373.12436	1.7
398.66998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91543	0.4
55.01849	1.2
57.03408	1.0
61.02910	0.9
69.03406	4.2
71.03796	0.5
71.04954	2.4
71.27416	0.5
75.38200	0.5
76.55923	0.6
77.45462	0.5
81.03387	1.2
81.07034	1.2
83.04972	0.6
84.04469	3.0
85.01115	1.1
85.02880	13.0
86.00634	1.0
86.99012	2.5
87.04426	0.6
91.05458	3.9
92.08675	1.0
93.06995	0.8
95.04917	2.1
95.08558	0.9
97.02841	4.0
98.93012	0.5
99.04414	2.5
103.03917	3.3
105.07005	3.6
107.08543	1.1
109.02885	2.0
109.06515	0.7
109.10176	0.8
111.04383	0.9
112.02150	0.7
115.05421	3.8
119.04927	3.4
119.08528	2.2
121.10097	0.5
122.03588	1.2
127.03920	3.8
135.04356	0.7
137.05943	31.5
141.03438	0.8
142.03146	0.6
143.02716	1.2
143.04906	2.6
145.04971	1.1
145.06454	2.7
147.04353	3.5
147.11647	2.4
149.05914	2.9
149.60773	0.5
150.06740	3.5
151.03851	2.3
153.05473	1.3
153.06787	0.8
157.10046	0.8
158.03543	0.8
159.04323	3.0
160.05132	4.8
161.05940	2.4
163.05983	0.6
173.05948	5.0
175.03874	2.5
175.07501	5.7
175.11124	2.4
175.14836	0.9
177.05510	0.8
177.06970	2.6
181.06335	0.6
181.08690	0.7
186.03088	7.4
187.03862	2.6
189.03264	2.2
194.07233	3.7
201.05402	22.6
203.06966	2.3
204.05702	1.2
205.06438	18.8
205.08321	0.9
206.07181	2.2
207.06511	0.7
209.09720	0.6
209.11664	3.7
211.07516	0.8
217.06332	0.6
219.07982	2.9
221.05927	3.4
221.09485	0.6
222.06706	11.1
223.07484	0.9
227.06880	0.7
229.14270	0.6
233.05923	25.1
233.07990	1.1
234.06604	5.1
237.09042	20.1
239.06972	3.3
246.06651	0.8
247.07434	4.7
248.08330	0.9
249.05466	3.0
249.09058	1.2
250.06203	20.2
250.08841	0.7
251.06886	3.6
253.08450	0.7
254.05621	0.7
254.09299	1.1
261.05374	3.8
262.06195	1.0
263.06961	1.1
264.07755	8.6
265.08524	46.5
266.09131	3.7
267.06476	3.6
268.07285	0.7
269.11710	0.7
275.07056	0.9
276.07755	0.8
277.04858	2.6
277.08453	2.5
278.05640	9.3
279.06393	2.6
279.10074	4.0
282.08740	5.6
283.09653	2.4
292.07175	19.6
293.07999	42.5
294.08813	2.2
295.05972	3.4
297.11157	13.5
305.08051	0.7
307.09561	46.2
310.08292	7.9
320.68979	0.5
325.10623	100.0
326.10846	0.9
337.10440	0.7
343.11679	60.2
344.12088	0.7
355.11691	0.8
421.41580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64880	1.4
55.05508	1.7
57.86119	1.2
61.53778	1.4
62.52228	1.3
81.07030	1.7
87.72415	1.4
88.15124	1.5
89.42680	1.5
91.05450	1.6
93.06985	1.4
102.32666	1.6
131.48297	1.8
206.98227	1.7
219.93277	1.5
224.88106	1.5
358.12253	1.9
493.33920	1.7
551.39001	100.0
575.44348	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40942	0.3
53.03956	0.4
54.81461	0.3
56.13595	0.3
57.03430	0.7
61.02917	2.2
63.09911	0.2
66.15795	0.3
68.99788	1.6
69.03415	3.1
70.06564	0.5
81.03406	0.6
85.02893	9.5
87.00864	0.3
94.04149	0.3
95.28948	0.3
97.02863	3.3
99.04441	0.4
103.05459	33.3
107.04949	0.7
108.91956	0.3
109.02852	0.4
111.00785	1.7
119.04964	0.6
122.03619	2.0
125.05965	1.9
127.03896	0.7
129.01816	7.2
131.04915	100.0
132.05228	0.5
134.67642	0.3
136.45782	0.3
137.05965	78.6
139.00259	3.2
145.04936	0.6
157.01353	1.3
163.07516	38.3
180.08662	0.4
181.08553	5.4
190.75871	0.3
213.17863	0.3
232.03923	0.4
309.09576	0.6
337.09021	3.4
355.10202	28.9
425.69904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.8
63.84668	0.9
67.05502	2.4
79.01601	6.4
79.05501	1.6
81.03403	2.6
81.07057	2.6
91.05465	2.6
109.02842	1.4
129.05428	1.6
130.04626	1.1
138.02869	2.2
139.03647	11.2
153.05244	2.4
175.85217	1.1
211.05724	2.0
221.11627	1.2
223.13074	9.2
251.12549	14.0
266.08841	1.3
267.12115	4.8
307.15167	11.5
323.14642	5.6
337.16339	5.6
366.16458	4.7
379.17096	14.4
393.19016	1.5
449.25241	2.2
450.25748	1.8
491.25531	1.3
533.26715	1.4
551.28198	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	551.2823
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
51.24924	0.3
51.87564	0.2
53.42607	0.2
54.81686	0.3
57.31913	0.2
67.05475	0.3
80.97198	0.3
81.03419	0.7
85.92761	0.3
91.05440	0.5
93.07047	0.5
95.08584	0.4
105.07014	0.3
109.29699	0.3
122.29310	0.3
126.51457	0.3
151.66287	0.3
184.07312	0.4
185.04195	0.4
192.79887	0.3
203.05180	0.6
252.29491	0.3
259.07895	1.6
285.85547	0.4
301.84296	0.3
389.22781	2.9
551.28180	100.0
552.28412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08271	0.4
53.64928	0.4
58.75204	0.4
67.05527	0.4
69.07077	0.4
77.92232	0.4
82.85822	0.3
83.05009	0.4
83.08601	0.4
86.09700	1.6
90.77584	0.3
93.07075	0.4
93.18464	0.4
97.17014	0.4
108.16471	0.4
109.53387	0.4
111.00112	0.4
124.99989	0.9
125.08203	0.4
184.07359	3.0
212.13716	0.5
221.90332	0.4
299.96704	0.4
352.44220	0.4
389.22940	2.5
417.23480	0.5
427.01563	0.5
468.16910	0.5
551.28186	100.0
552.28680	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	551.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
63.87384	1.2
67.05485	2.4
67.66176	1.2
78.01691	0.9
79.05441	2.6
81.03393	1.8
81.07037	4.8
86.09670	1.6
89.45814	1.1
91.05441	1.8
93.07014	2.1
109.10138	1.3
110.09784	1.1
117.64709	1.1
125.00062	1.2
137.92934	1.5
142.03186	1.5
152.26550	1.3
184.07333	5.0
551.26208	100.0
570.21490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.41
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47655	4.8
55.01854	7.9
55.05499	36.1
57.03424	28.1
57.07080	6.3
57.82280	4.9
63.84237	4.7
65.09177	5.4
67.05495	100.0
69.07043	28.4
76.56511	7.3
79.05476	83.9
81.07039	95.4
83.04955	13.6
83.08596	7.7
91.05459	63.3
92.05740	5.6
93.07028	91.9
95.04973	7.4
95.08585	53.6
97.06535	11.8
97.10152	10.6
105.07015	40.5
107.08569	59.6
109.10143	26.4
112.04472	6.7
117.06953	8.8
119.08517	11.0
121.10103	11.7
133.10115	23.0
133.67433	6.2
135.11697	54.3
145.10139	10.0
158.64426	6.4
181.12233	8.4
195.52763	6.7
208.44653	6.8
240.15012	6.3
255.15846	61.2
255.82002	6.3
335.25656	51.6
413.46631	6.6
421.48849	7.2
507.86923	7.0
515.37085	58.3
518.94379	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	550.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.5
55.05501	20.9
57.03429	7.3
61.73922	3.1
67.05494	68.1
69.03416	4.1
69.07057	7.3
71.04979	15.1
79.05471	85.5
81.07037	42.5
85.06530	6.1
91.05466	38.5
92.09323	13.4
93.07030	71.1
94.99883	3.6
95.04929	4.1
95.08582	35.2
97.02856	6.0
99.04440	18.1
105.07012	17.5
107.04946	23.9
107.08575	86.0
109.06529	4.7
109.10143	21.6
111.04463	4.8
117.07010	71.6
119.08540	18.8
121.06470	16.0
121.10120	18.5
125.09593	7.0
131.08562	5.2
135.08032	100.0
135.11673	7.2
136.67926	3.4
145.06529	5.6
145.10114	4.8
163.07513	82.8
181.08559	19.3
199.09593	75.5
204.58359	4.1
255.12199	70.0
261.22049	6.2
276.75693	3.8
325.04974	3.7
335.25790	75.6
355.38165	4.0
491.62817	4.5
515.33685	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
54.81387	2.6
55.01862	4.0
55.05505	27.6
57.03432	22.2
57.03654	2.1
57.07063	3.2
67.05495	64.1
68.23217	2.3
69.07070	20.0
70.67974	2.3
71.04993	2.4
79.05476	74.2
81.07038	60.8
83.04958	4.4
83.08604	6.1
90.42422	3.1
91.05472	24.8
93.07025	88.4
95.04966	11.4
95.08588	74.8
97.06512	4.0
99.04459	3.6
105.07022	16.5
107.04955	11.9
107.08593	35.4
109.06542	3.0
109.10130	14.4
110.45033	2.4
117.07014	12.8
119.08595	19.2
121.06521	4.7
121.10135	32.9
130.07736	3.6
131.08536	3.7
133.10138	11.2
135.08069	3.2
135.11696	54.4
145.10115	32.8
150.31517	2.5
163.11151	64.4
181.12140	5.3
204.50639	2.5
215.17914	5.2
217.09958	2.3
219.97522	2.8
227.12752	44.8
227.14902	3.8
233.18814	3.8
283.15317	35.8
298.84280	2.6
307.22659	100.0
515.33612	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.2
58.06587	0.3
60.07871	0.4
60.08152	8.5
67.05490	0.6
71.07358	4.5
78.18798	0.2
79.05455	0.5
81.03421	0.4
81.07034	1.1
83.05591	0.2
84.61282	0.2
86.09689	45.2
91.05450	1.2
92.09235	0.3
95.08595	0.5
98.98445	3.8
104.10712	4.9
105.07011	0.5
107.08583	0.4
117.06969	0.3
119.08588	0.3
120.58886	0.3
124.99977	37.4
143.01064	0.3
184.07304	100.0
185.07677	0.3
408.85623	0.3
442.78824	0.3
455.26151	0.3
532.30267	0.5
550.23962	0.3
550.31403	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.05011	0.3
56.06117	0.2
56.59992	0.1
57.03408	0.2
58.06572	0.2
60.08151	8.8
60.14355	0.1
60.81213	0.1
62.84470	0.1
67.05493	1.3
69.07058	0.2
71.04994	0.2
71.07352	3.5
79.05466	0.3
81.03402	0.4
81.07015	0.7
83.08611	0.2
83.57656	0.2
86.09692	46.5
87.09994	0.2
91.05449	0.3
93.07039	0.3
95.08567	0.7
97.10112	0.2
98.98453	3.1
104.10722	4.6
105.06992	0.4
105.68761	0.2
107.08572	0.2
108.55542	0.2
109.10172	0.2
117.06902	0.2
124.35293	0.2
124.99982	33.3
125.09603	0.2
133.10110	0.2
133.67337	0.2
142.51711	0.2
143.01074	0.4
144.65417	0.2
184.07310	100.0
185.07401	0.2
193.04866	0.2
209.24657	0.2
242.88344	0.2
532.29846	0.9
550.31354	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	550.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76817	0.2
55.01865	0.2
55.05506	0.6
56.05027	0.2
57.03431	0.4
58.06604	0.3
60.08155	9.1
60.08460	0.3
67.05500	1.5
69.07039	0.2
70.35858	0.1
71.04977	0.2
71.07360	3.9
79.05482	1.2
81.03407	2.1
81.07040	1.3
82.03738	0.2
83.04971	0.3
83.08619	0.3
85.02942	0.2
86.09693	46.1
91.05466	0.9
93.07031	1.2
95.04945	0.3
95.08591	0.4
97.06515	0.2
97.10169	0.3
98.98445	3.5
104.10732	5.4
105.07027	1.1
107.04886	0.2
107.08579	0.3
111.04419	0.3
111.08039	0.2
117.06922	0.2
119.08563	0.7
121.06466	0.2
121.10110	0.4
124.99984	33.7
125.09612	0.3
129.07010	0.3
131.08562	0.3
133.10135	0.3
135.11688	0.2
137.05930	0.2
137.09633	0.3
143.01025	0.9
157.10080	0.3
184.07314	100.0
193.12149	0.3
237.53101	0.2
239.12804	0.2
267.15860	0.4
268.16241	0.2
283.15421	0.2
343.28906	0.2
355.19263	0.2
452.23871	0.7
461.27560	0.2
465.24878	0.7
479.28860	0.2
532.30292	1.5
550.31299	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	550.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73097	0.2
55.01849	0.3
55.05491	1.1
56.05021	0.3
57.03423	0.4
60.08152	7.2
67.05473	1.8
68.63613	0.3
69.03430	0.3
69.07047	0.4
71.04946	0.3
71.07352	4.7
77.26347	0.3
79.05479	2.1
81.03383	1.9
81.07040	2.1
83.04967	0.6
83.08610	1.1
85.02858	0.3
86.09690	47.1
91.05446	1.3
93.07024	1.8
95.04943	0.5
95.08569	0.7
97.06533	0.4
98.98438	3.7
104.10731	4.5
105.07010	1.9
107.08598	0.3
117.06997	0.4
119.08563	1.2
121.10091	0.3
124.99979	34.5
129.06958	0.3
135.07979	0.4
135.11702	0.3
137.05927	0.5
143.01013	0.6
145.10118	0.6
147.11566	0.3
149.09720	0.3
175.11034	0.4
184.07306	100.0
267.15924	0.5
291.19586	0.4
323.71246	0.3
461.28607	0.3
491.61517	0.3
492.27112	0.4
532.29889	1.4
550.23792	0.4
550.31409	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	550.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01872	1.4
55.05507	16.3
56.63468	0.6
57.03428	3.4
59.04971	0.7
61.02910	3.5
67.05493	4.8
68.29794	0.7
69.03416	18.4
69.07055	4.3
70.06586	0.9
71.04976	6.0
73.02909	1.5
79.05479	5.1
81.03416	14.7
81.07042	6.9
83.04967	20.7
83.08597	6.8
85.02893	80.2
85.06534	0.8
87.04455	1.1
91.05464	4.9
93.07027	9.9
95.04955	4.9
95.08619	5.7
97.02872	26.9
97.06527	2.7
99.04437	50.5
103.03925	97.3
105.07026	9.2
107.08583	32.5
107.09300	1.4
109.02864	17.2
109.03591	0.8
109.06504	5.2
109.10158	6.6
111.04432	0.9
111.08060	7.0
117.07025	1.4
119.08555	9.2
121.06480	1.3
121.10112	10.9
123.08054	3.7
123.11700	1.3
125.09636	1.7
127.03896	100.0
131.04890	1.3
131.08562	8.5
133.10117	18.2
135.08043	6.0
135.11682	2.9
137.05978	3.1
137.09624	3.2
143.08585	1.1
144.09138	0.8
145.04939	43.1
145.10144	3.6
147.04314	0.7
147.11658	8.4
149.09578	3.8
149.13234	7.6
151.11142	11.7
153.09091	6.2
158.10881	1.7
161.13248	1.2
163.05989	41.9
163.11209	1.1
163.14784	1.3
167.14325	12.6
173.13229	13.7
175.14859	4.0
187.06035	3.3
191.14284	53.0
205.07065	2.8
209.15341	33.0
214.82047	0.7
227.16422	3.1
271.08081	6.4
289.09183	6.3
307.10202	21.7
307.13666	0.9
312.79050	0.8
353.19595	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	550.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03931	5.2
53.83019	0.6
54.81168	0.8
55.01862	1.5
55.05499	30.2
56.24057	0.6
57.03423	5.5
57.07048	1.3
59.04982	0.9
61.02891	3.3
67.05470	6.7
69.03410	23.5
69.07062	6.2
71.04977	10.0
71.69514	0.7
73.02889	3.9
74.51366	0.6
76.02193	2.6
79.05461	5.5
81.03396	18.9
81.07034	14.4
83.04963	28.1
83.08598	19.9
84.04443	0.6
85.02887	76.7
85.06517	3.1
87.04443	1.2
91.05442	8.7
93.07026	11.9
95.04942	54.2
95.08577	10.9
97.02869	32.1
97.06508	5.1
97.10130	3.6
99.03758	1.1
99.04428	64.6
103.03918	92.8
105.06364	1.3
105.07014	23.9
107.08573	40.8
109.02856	19.9
109.06487	7.7
109.10139	16.4
111.04375	1.0
111.08064	8.0
115.03897	1.6
116.01669	0.8
117.06984	3.1
117.85391	0.7
119.08559	37.8
121.06462	1.2
121.10115	16.5
123.08016	3.4
123.11678	7.7
125.09619	5.4
127.03886	93.6
131.08537	14.5
133.10098	33.3
135.08038	4.4
135.11673	6.1
137.05957	0.8
137.09593	4.0
143.08543	1.4
145.04939	38.9
145.10068	5.9
146.10910	1.3
147.11664	19.2
149.09584	6.2
149.13219	11.4
151.11143	24.8
153.09081	16.6
157.10135	0.7
158.10829	1.6
161.13231	6.5
163.05981	33.7
163.07289	1.2
163.14769	3.0
165.12701	0.9
167.10597	3.2
167.14262	29.4
173.13216	22.8
175.14783	55.4
187.05988	4.3
189.12703	1.2
191.14252	29.1
193.15860	8.8
205.06912	1.0
207.13885	0.8
209.15329	100.0
227.16408	5.9
271.08054	3.4
289.09094	3.6
307.10092	13.2
318.86734	0.7
339.93683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.1
55.05509	25.7
67.05495	58.7
68.88082	3.7
68.99773	6.6
69.07068	6.9
71.04989	3.7
71.59020	4.0
79.05495	46.3
81.03423	4.5
81.07047	42.7
86.34870	3.7
88.70522	3.8
91.05479	28.1
93.07012	39.5
95.04967	47.9
95.08604	19.9
99.27975	3.9
105.07034	22.2
107.04948	31.0
107.08578	20.4
107.83150	4.6
109.10152	15.4
117.76147	4.7
119.04903	43.9
119.08585	7.9
121.10133	17.8
123.04411	63.7
133.10167	6.1
134.05165	4.1
139.03877	5.3
142.36844	3.9
145.10086	4.4
147.04407	53.8
157.06468	20.5
159.11670	4.3
161.05942	6.7
171.04408	7.0
179.03369	61.8
185.05984	15.4
187.07564	8.0
189.05415	6.1
191.06895	4.7
193.05040	4.0
203.73207	4.5
213.05408	9.6
255.06506	100.0
273.07581	9.2
304.01306	4.4
477.24222	6.0
549.29919	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	548.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52149	2.9
51.04537	3.2
52.10823	3.1
53.87330	2.8
54.81775	3.3
54.87481	3.0
55.05507	14.7
57.03425	7.8
62.88468	3.4
67.05494	55.2
69.07041	7.1
79.05486	24.0
81.07051	34.2
83.08583	5.9
91.05464	100.0
93.07028	26.9
95.08590	19.7
105.07040	39.8
107.08606	14.9
119.08612	8.2
121.10108	7.6
133.10104	87.1
161.09596	7.8
185.13416	4.0
253.14235	31.0
335.25793	46.3
513.35498	31.1
574.01563	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	549.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48489	0.9
53.03925	1.6
54.81227	1.3
55.01859	1.2
55.05503	1.7
57.03423	1.0
57.95689	1.1
65.03921	1.3
67.05495	2.5
69.03416	2.6
71.04963	1.4
79.05463	10.9
81.03400	5.9
81.07050	2.7
85.02893	16.8
91.05455	16.3
93.07041	6.0
94.04180	2.4
95.04913	1.9
95.08593	2.6
97.02875	8.5
99.04408	9.5
100.04824	1.3
101.44401	1.3
103.03923	24.3
103.05460	1.7
105.07030	2.9
107.04953	4.6
107.08553	2.5
108.05712	1.9
109.02871	5.3
109.06483	1.6
117.06981	4.6
119.04922	8.4
119.08592	2.0
121.06463	6.5
122.03619	14.1
123.08049	19.1
127.03902	22.5
128.04218	1.7
131.04820	1.9
135.08017	4.9
136.05206	2.1
137.05959	93.5
145.04953	7.3
145.06419	2.0
149.09630	4.4
151.07521	100.0
161.05948	2.7
163.05998	6.7
163.07394	2.1
175.07523	7.9
177.09093	7.2
189.09055	2.0
193.08609	1.4
195.10133	43.8
217.10191	1.1
219.07970	1.3
229.10129	2.6
231.08035	2.2
233.09601	1.6
241.11078	1.8
245.09587	2.9
247.07558	4.8
248.08319	4.2
253.08592	5.0
257.09683	9.8
259.07425	4.5
261.09204	2.2
262.06259	1.6
263.10648	4.8
265.08691	1.5
267.10278	1.5
273.09000	5.1
274.09448	1.7
275.06906	1.5
275.10666	2.1
276.07700	1.6
277.08621	2.5
278.09525	1.5
279.10217	2.4
281.07986	2.0
285.09042	8.0
289.08624	5.0
289.12186	5.7
291.10080	14.3
293.08075	5.3
295.09848	2.0
297.11252	2.7
302.09354	4.9
303.10196	13.7
304.10855	2.3
305.11685	2.3
306.08899	4.4
307.09811	4.1
308.10413	5.2
309.11154	1.8
317.11163	13.7
318.12506	1.4
321.11307	9.4
323.12753	5.0
329.13687	1.4
334.11948	2.7
335.12717	26.1
341.13846	9.0
349.14236	12.9
353.14096	1.5
355.15222	1.6
367.15366	23.4
393.16940	2.3
425.19409	2.1
505.22256	1.6
531.23663	1.6
548.35413	14.0
548.85547	9.9
549.24609	17.9
549.35486	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	548.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81561	0.2
55.05498	0.6
57.03407	0.2
58.06579	0.5
60.07862	0.3
60.08155	9.1
67.05492	1.1
69.07044	0.4
71.07357	3.8
79.05466	0.6
81.03371	0.3
81.07030	1.0
83.08584	0.4
86.09694	47.4
86.18304	0.2
89.06003	0.3
92.25458	0.2
93.07030	0.3
95.08595	0.5
98.98446	4.4
104.10719	4.3
113.75722	0.2
121.10146	0.3
124.99985	34.7
143.01038	0.5
163.01480	0.2
184.07314	100.0
274.79468	0.3
299.88754	0.2
354.33255	0.3
484.56104	0.3
530.23383	0.2
530.35889	1.6
548.37103	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	548.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05470	1.1
50.24172	1.0
53.22437	1.1
55.01857	4.8
55.05503	17.6
57.03430	19.3
59.97499	1.2
66.49295	1.2
67.05484	21.4
69.03424	2.6
69.07054	9.0
71.01329	1.9
71.04985	5.4
77.23336	1.2
79.05478	26.2
81.03401	100.0
81.07040	29.1
83.04969	13.4
83.08614	23.7
85.02891	16.7
86.09711	3.2
88.05627	1.4
89.43983	1.2
89.94334	1.2
91.05464	33.6
93.07027	21.2
95.04957	32.5
95.08577	12.0
97.02860	2.6
97.06496	5.4
97.10159	6.5
104.10670	1.3
105.07010	27.6
107.04929	9.3
107.08578	8.2
109.06483	10.8
109.10152	6.0
111.04430	2.3
111.08066	6.8
115.05437	1.6
117.06995	5.9
119.08559	26.1
121.06487	3.1
121.10102	15.7
123.08006	2.7
124.99973	1.8
125.09644	2.4
129.06961	12.5
131.04924	1.3
131.08549	17.5
133.06488	6.2
133.10112	12.2
133.20233	1.3
137.05997	2.2
137.09636	1.7
142.07750	5.1
143.08556	1.4
145.06503	2.7
145.10132	2.4
147.08083	5.4
147.11650	11.2
149.09633	7.3
151.11165	1.4
155.08456	1.4
157.06502	1.5
157.10110	17.1
161.72888	1.2
163.11124	2.4
165.12788	2.8
173.20988	1.7
173.43628	1.4
175.11171	15.6
183.32983	1.2
184.07309	7.7
193.12238	32.2
211.13269	16.4
267.13010	2.5
267.15863	67.9
273.14761	2.0
285.16965	16.5
367.22589	5.9
383.21924	1.7
385.23508	5.2
403.24786	2.4
433.25809	5.4
439.86908	1.3
459.27313	42.6
477.28458	33.1
487.90918	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05510	0.5
56.05035	0.4
57.03434	0.3
58.06595	0.2
60.07860	0.4
60.08154	9.1
67.05492	2.2
69.07074	0.4
71.07356	4.7
78.75858	0.2
79.05469	1.5
81.03394	2.0
81.07041	2.2
83.04996	0.4
83.08594	0.4
84.79188	0.2
85.02899	0.3
86.09694	46.6
91.05452	1.3
93.07019	1.4
95.04943	0.5
95.08609	0.9
98.98453	3.7
104.10735	5.3
105.07014	1.4
107.04935	0.3
107.08590	0.5
109.10159	0.4
117.06995	0.3
119.08603	0.6
121.10102	0.4
123.11774	0.3
124.99982	37.0
129.06970	0.3
131.08534	0.5
133.10127	0.4
135.11591	0.3
135.18977	0.2
143.01013	0.3
147.11719	0.7
147.51646	0.2
162.80705	0.2
171.11784	0.2
173.09601	0.2
175.11174	0.3
175.56535	0.2
179.10847	0.2
184.07314	100.0
185.07593	0.3
193.12199	0.4
211.13174	0.3
213.93114	0.2
244.34937	0.3
267.15768	0.8
285.16840	0.5
311.09167	0.2
477.27872	0.4
495.29294	0.9
530.28223	1.4
548.22430	0.3
548.29675	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	548.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05503	1.9
55.80709	0.2
56.05030	0.4
57.03429	1.1
60.08154	9.5
67.05490	3.1
69.03417	0.4
69.07066	1.3
71.04986	0.3
71.07351	4.3
79.05478	2.8
81.03403	2.3
81.07037	6.0
82.07367	0.5
83.04967	0.4
83.08612	1.2
86.09688	46.8
91.05465	3.0
92.09320	0.3
93.07015	2.2
95.04929	1.7
95.08578	1.3
97.06514	0.5
97.10197	0.3
98.98446	3.9
101.79492	0.2
104.10727	4.3
105.06995	1.7
106.07388	0.3
107.04937	0.4
107.08569	1.4
109.06484	1.4
109.10175	0.9
111.08037	0.3
117.07004	0.4
119.08565	1.5
121.10118	1.1
123.08022	0.3
123.11687	0.3
124.99977	35.3
131.08551	0.5
133.06441	0.3
133.10127	1.2
134.59242	0.2
135.11646	0.5
137.09555	0.4
143.01024	0.5
145.10121	0.9
147.11656	0.9
151.11223	0.3
152.46388	0.3
157.10027	0.4
161.09557	0.2
163.11136	0.3
172.90681	0.3
175.11183	0.3
184.07304	100.0
186.29961	0.3
193.12222	0.5
193.65053	0.2
206.15771	0.2
211.13199	0.5
267.15732	0.4
269.28778	0.2
275.20035	0.9
285.16815	0.5
340.98990	0.2
349.23489	1.0
350.23929	0.5
367.24591	1.4
368.24869	1.6
477.27670	1.0
495.29327	0.3
530.28485	1.2
548.29694	8.4
559.14569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20811	0.3
53.03942	3.3
55.01854	0.4
55.05503	0.9
57.03429	2.4
59.04979	0.6
61.02915	2.5
62.42065	0.3
67.05482	0.5
67.24209	0.4
69.03416	13.8
71.04979	5.2
73.02896	4.4
79.05465	0.6
81.03402	15.6
81.07043	0.4
83.04967	2.2
85.02892	70.3
91.03931	0.7
91.05462	1.4
92.09351	0.8
93.07034	0.9
95.04949	0.7
95.08583	1.8
97.02873	25.7
97.06528	0.8
99.04437	53.2
100.11249	0.4
101.02409	0.4
103.03927	100.0
105.07001	0.9
107.08559	1.5
109.02873	18.1
109.06518	1.6
111.04431	1.9
113.00500	0.4
115.03892	0.8
117.06979	0.5
119.04912	0.6
119.08546	1.9
121.06491	0.7
121.10132	1.8
123.07150	0.9
123.08049	24.9
123.88875	0.4
126.49214	0.4
127.03896	95.0
129.06955	0.6
137.05928	0.9
137.09612	0.5
145.04944	35.7
145.08620	0.5
145.10117	0.7
147.04404	2.7
147.08028	0.6
147.11659	0.7
149.09604	4.8
151.07516	0.9
151.11180	1.6
161.13301	0.7
163.05994	34.5
163.11154	1.6
165.09177	0.4
165.12706	0.4
167.10625	0.8
169.04855	0.6
182.15340	0.6
187.05989	3.8
189.12744	1.9
199.05952	0.5
205.07016	2.4
207.13770	6.5
225.14799	7.8
230.23756	0.5
253.07077	0.6
257.35632	0.4
267.19290	0.4
271.08112	3.6
289.09167	3.8
307.10175	16.1
317.83389	0.4
411.20102	0.5
495.22083	0.8
513.23090	0.7
531.24103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.4
53.03929	1.9
54.81550	0.4
55.01863	0.7
55.05505	4.3
57.03425	1.8
58.17813	0.4
58.55103	0.4
61.02897	3.1
63.02128	0.4
63.57925	0.4
67.05477	3.0
68.95830	0.4
69.03417	9.5
69.07053	5.5
70.06561	1.1
71.04969	2.7
71.77964	0.4
72.08121	0.9
73.02876	2.5
76.02188	0.7
76.56208	0.5
79.05452	2.0
81.03404	6.8
81.07034	4.9
83.01299	0.5
83.04965	4.0
85.02890	45.1
85.06504	0.6
86.41975	0.5
87.04402	0.5
89.84544	0.4
91.03938	0.9
91.05461	9.2
91.09554	0.4
93.07025	6.1
95.01338	0.6
95.04937	3.5
95.08582	4.7
97.02865	12.3
97.06480	1.9
97.10155	0.8
98.97540	0.7
99.04429	21.4
103.03920	36.4
105.07011	22.7
107.04919	0.6
107.08576	6.9
109.02853	8.0
109.06502	3.6
109.10152	3.8
111.04423	0.7
111.08041	0.7
117.07001	6.1
118.38393	0.5
119.08557	37.4
121.06435	1.0
121.10101	6.9
123.04396	1.0
123.08025	2.2
123.11685	9.5
125.05987	0.9
127.03890	42.3
128.06166	1.8
129.06944	2.4
130.07739	4.6
131.08525	7.2
132.09300	0.5
133.06467	11.3
133.09184	0.9
133.10106	18.0
134.10597	0.5
135.08002	1.1
135.11670	0.5
137.05937	2.7
139.03900	0.7
141.05319	0.5
141.06946	1.0
143.08595	3.3
145.04947	16.9
145.10100	33.1
146.10893	2.2
147.04381	1.0
147.08012	5.7
147.11665	47.7
149.09579	2.4
151.07515	0.6
156.09300	12.7
157.04909	0.7
159.08051	3.2
159.11681	0.8
160.08810	0.8
161.09590	1.8
161.13245	2.5
163.05975	19.0
169.04831	0.6
171.10234	0.8
171.11633	7.7
173.09529	0.8
173.13199	0.6
174.10382	4.1
175.14783	11.5
176.15520	1.0
179.06964	0.8
183.06487	1.1
187.05974	2.4
189.12706	100.0
193.15846	0.7
204.13463	0.5
205.06999	1.1
207.13773	13.7
215.05432	0.8
225.14830	2.4
228.31013	0.6
229.06969	2.1
253.06754	0.8
257.10355	0.8
271.08142	3.7
271.11731	2.8
275.85922	0.5
287.20023	0.8
288.65475	0.5
289.09207	4.8
307.06760	0.9
307.10168	18.6
351.17984	11.2
385.06973	0.5
548.20758	3.6
548.37482	2.0
561.16650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.4
53.03929	2.8
54.04264	1.4
55.01858	7.7
55.05502	21.1
57.03426	11.4
60.08145	1.5
60.56986	1.3
61.02902	2.3
62.25992	1.2
67.05491	37.0
69.03412	2.3
69.07052	25.3
71.04974	2.0
73.54525	1.3
78.64989	1.5
79.05473	36.3
80.51296	1.2
81.03391	13.8
81.07037	100.0
83.04955	9.0
83.08597	13.9
85.02875	2.3
85.06499	1.9
86.09673	9.9
91.05472	28.1
92.08717	2.2
93.07022	29.5
95.04959	14.1
95.08587	22.5
97.02858	2.2
97.06520	11.0
97.10175	2.8
99.08091	2.9
105.07002	29.9
107.04959	11.4
107.08568	20.7
109.05807	1.9
109.06509	25.9
109.10115	8.0
111.08022	3.2
117.06981	10.1
119.08555	23.3
121.06494	6.0
121.10110	14.9
121.15840	1.5
123.08026	9.4
123.11674	6.1
124.99965	3.5
125.09618	1.9
129.07016	2.2
131.08508	10.5
133.10097	18.6
135.08014	6.2
135.11647	6.5
143.08505	2.3
145.10130	11.7
147.08058	1.7
147.11664	14.0
149.09583	6.0
149.13213	7.6
151.11185	2.1
157.10088	2.3
159.11661	9.4
161.13141	2.0
163.11145	11.6
165.12703	2.4
173.09572	1.9
173.13216	2.7
175.11191	3.2
177.12598	1.7
184.07310	29.6
187.33478	1.4
193.12157	2.7
239.00800	1.7
257.18985	2.7
267.15811	3.0
275.20007	26.3
279.98901	1.7
283.15387	2.5
285.12219	7.8
293.20929	3.1
302.56516	1.5
306.37396	1.5
349.19815	2.3
349.23727	47.2
367.24756	68.6
476.27063	2.1
529.29993	2.7
548.70862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87523	0.9
53.03942	1.7
55.05502	2.2
57.03418	0.9
61.02926	1.9
67.05491	2.3
69.03413	7.1
69.07052	5.0
71.04968	1.5
73.02892	1.1
76.55164	1.2
79.05480	1.6
81.03397	6.3
81.07045	2.2
82.06508	1.2
83.04977	4.8
85.02894	42.9
91.05482	9.3
92.08681	1.0
93.07021	6.4
95.04966	2.3
95.08580	7.4
97.02880	11.3
99.04439	23.1
103.03925	35.8
105.07013	24.2
107.08541	7.6
109.02859	9.3
109.06517	5.7
109.10134	4.8
110.66015	1.0
117.06991	4.4
118.66299	1.0
119.08570	39.0
121.06571	0.9
121.10133	6.4
123.04346	1.3
123.08042	3.9
123.11678	10.1
125.39599	1.1
127.03901	39.9
127.08666	1.6
130.07756	1.5
131.08569	7.3
133.06483	12.3
133.10110	21.3
135.08037	1.6
137.05948	1.3
137.35428	1.1
143.08582	4.4
145.04950	18.4
145.10110	32.6
147.08058	4.4
147.11681	43.5
149.09636	1.4
156.09352	11.4
157.04964	1.3
159.08063	2.1
159.11722	2.1
161.13176	1.5
163.06003	15.9
171.11662	9.3
174.10370	4.2
175.08887	1.3
175.14819	15.4
176.15608	2.0
185.08047	1.3
187.06053	1.1
187.14859	1.3
189.12720	100.0
193.15849	1.1
207.13762	9.8
211.05942	1.8
229.06979	2.2
246.14339	1.0
271.08102	4.4
271.11783	2.4
289.09274	4.5
307.10199	23.7
318.10983	1.3
342.09155	1.0
351.17938	15.6
393.47565	1.0
421.42499	1.0
499.98950	1.3
548.20514	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63407	0.7
53.03926	2.1
53.05179	0.6
55.01862	10.2
55.05506	40.1
57.03433	8.9
57.88044	0.7
61.02916	1.1
65.03945	0.9
67.05495	30.3
69.03423	1.9
69.06710	1.3
69.07057	16.6
69.46899	0.8
71.04964	4.9
73.02875	0.9
79.05476	37.0
81.03410	8.4
81.07041	28.5
83.04968	16.3
83.08605	22.4
85.02878	6.7
85.06532	1.5
91.03975	1.0
91.05453	22.1
91.74715	0.8
93.07018	31.9
95.04951	62.7
95.08591	19.7
97.02914	1.0
97.06512	5.4
97.10146	12.1
99.04414	6.3
105.04500	1.0
105.07010	23.8
107.04948	7.7
107.08578	29.6
109.06532	8.0
109.10146	10.2
111.04427	16.3
111.08065	5.3
117.06983	8.7
119.08562	18.0
121.06490	6.7
121.10119	16.6
123.08060	5.6
123.11700	1.1
125.09587	9.7
129.06972	3.6
130.07755	0.9
131.08563	12.8
133.10098	10.9
135.08018	6.1
135.11662	7.2
137.05907	1.1
137.09587	1.8
137.56425	0.9
139.11166	1.6
143.08537	1.4
145.10106	19.1
147.08046	4.4
147.11674	7.0
147.32936	1.0
149.09605	25.2
151.11090	1.0
153.12770	2.0
157.10124	3.5
159.11641	7.7
163.11143	25.0
165.12683	1.2
169.10123	1.2
171.11681	1.6
173.09673	1.0
173.13237	3.7
177.12651	3.2
181.12195	1.8
187.11157	1.9
189.11177	5.0
197.13216	1.3
205.12303	3.2
207.13809	0.9
223.13280	26.7
229.19405	1.7
234.40645	0.9
239.17873	1.8
257.18985	3.6
275.20016	36.4
293.21054	23.3
349.23618	5.8
355.00610	1.0
367.24731	100.0
529.29932	1.4
558.23193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2913
Annotation	CHEBI:70543
Peak:m/z	Relative Intensity
67.05434	0.3
69.07027	0.4
79.05423	0.5
80.15908	0.2
81.07011	0.3
85.02863	0.4
85.44138	0.3
93.06898	0.3
96.08073	0.5
107.08488	0.4
119.04870	0.4
122.03561	1.5
123.03987	0.3
123.30844	0.3
124.07553	3.3
131.04840	0.5
131.08527	0.4
137.05951	35.3
138.06282	7.7
138.09103	2.3
153.01740	1.2
163.07500	0.5
181.08446	1.3
211.08598	0.5
240.91412	0.3
241.13257	0.4
260.10229	0.4
270.09937	0.3
291.71094	0.3
292.14178	0.4
294.15854	0.4
306.15927	2.6
307.17410	0.3
308.17542	0.7
320.13760	0.7
320.17319	0.4
322.18997	2.0
323.19849	1.6
324.16959	0.6
324.20535	0.9
334.15491	1.9
336.13367	1.4
336.20453	2.2
337.19141	1.1
337.46527	0.3
338.14944	1.4
338.92062	0.3
348.17050	3.0
349.17807	11.3
350.14844	3.2
350.18591	1.0
352.16376	0.5
354.21805	0.5
362.18381	0.3
364.12952	0.4
364.20139	10.9
365.18375	1.2
366.18076	2.1
378.14658	2.3
378.21713	2.3
380.19604	7.4
382.21124	10.6
385.12701	0.4
392.15930	3.4
393.16721	3.8
408.19077	100.0
409.19421	2.0
455.76868	0.3
460.74377	0.3
489.44049	0.4
547.29041	65.9
548.29602	0.5
551.37518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63407	0.7
53.03926	2.1
53.05179	0.6
55.01862	10.2
55.05506	40.1
57.03433	8.9
57.88044	0.7
61.02916	1.1
65.03945	0.9
67.05495	30.3
69.03423	1.9
69.06710	1.3
69.07057	16.6
69.46899	0.8
71.04964	4.9
73.02875	0.9
79.05476	37.0
81.03410	8.4
81.07041	28.5
83.04968	16.3
83.08605	22.4
85.02878	6.7
85.06532	1.5
91.03975	1.0
91.05453	22.1
91.74715	0.8
93.07018	31.9
95.04951	62.7
95.08591	19.7
97.02914	1.0
97.06512	5.4
97.10146	12.1
99.04414	6.3
105.04500	1.0
105.07010	23.8
107.04948	7.7
107.08578	29.6
109.06532	8.0
109.10146	10.2
111.04427	16.3
111.08065	5.3
117.06983	8.7
119.08562	18.0
121.06490	6.7
121.10119	16.6
123.08060	5.6
123.11700	1.1
125.09587	9.7
129.06972	3.6
130.07755	0.9
131.08563	12.8
133.10098	10.9
135.08018	6.1
135.11662	7.2
137.05907	1.1
137.09587	1.8
137.56425	0.9
139.11166	1.6
143.08537	1.4
145.10106	19.1
147.08046	4.4
147.11674	7.0
147.32936	1.0
149.09605	25.2
151.11090	1.0
153.12770	2.0
157.10124	3.5
159.11641	7.7
163.11143	25.0
165.12683	1.2
169.10123	1.2
171.11681	1.6
173.09673	1.0
173.13237	3.7
177.12651	3.2
181.12195	1.8
187.11157	1.9
189.11177	5.0
197.13216	1.3
205.12303	3.2
207.13809	0.9
223.13280	26.7
229.19405	1.7
234.40645	0.9
239.17873	1.8
257.18985	3.6
275.20016	36.4
293.21054	23.3
349.23618	5.8
355.00610	1.0
367.24731	100.0
529.29932	1.4
558.23193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87161	1.6
55.05504	35.9
57.03422	2.7
57.07062	2.7
57.94307	1.5
59.04985	4.1
66.65337	1.7
67.05493	24.1
69.07064	28.3
71.04972	19.2
73.06542	11.1
73.63667	1.8
79.05466	20.0
81.07040	97.2
81.09129	1.7
83.08601	34.0
85.06515	6.0
85.10155	1.9
90.30264	1.8
91.05462	9.2
92.09337	3.8
93.07044	7.1
95.08588	88.0
97.10161	24.0
102.70274	1.9
105.06982	17.0
107.08588	25.9
109.10152	8.7
111.11707	2.4
111.75854	1.8
113.51619	1.8
119.08545	8.4
121.10126	10.8
125.33156	1.7
135.11705	3.6
136.81125	2.0
137.13235	45.8
147.11656	27.2
155.00565	1.9
155.14282	4.3
165.12724	2.5
201.14832	87.8
257.17432	10.1
311.25671	2.0
329.26733	2.1
437.36194	2.6
511.39841	100.0
525.26849	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2147
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
58.73635	0.3
58.98215	0.2
66.31991	0.2
69.03437	0.3
81.03418	0.4
84.19523	0.3
85.02859	0.5
92.09293	0.4
99.04430	0.4
107.08551	0.3
110.58902	0.3
111.04237	0.5
135.73534	0.3
137.05931	0.7
138.06332	0.5
139.06520	0.4
153.20929	0.3
159.04158	5.5
165.09198	0.4
185.04227	1.4
361.86029	0.3
385.15750	2.2
396.84036	0.3
546.20325	0.4
547.21429	100.0
548.21869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12857	0.1
53.88489	0.1
55.05490	0.2
56.05014	0.2
58.06577	0.2
58.07766	0.1
60.08149	8.2
63.19711	0.1
64.18951	0.1
67.05486	1.0
67.08242	0.1
69.07049	0.3
71.07354	3.5
71.08591	0.1
72.22293	0.1
79.05477	0.3
81.07027	0.7
86.09686	45.5
93.07014	0.3
95.08602	0.4
98.98444	3.8
104.10717	3.6
105.07008	0.2
107.08575	0.3
109.10093	0.2
113.09617	0.1
121.10104	0.2
124.99973	34.1
129.05498	0.2
143.01024	0.3
164.50958	0.1
175.16023	0.2
184.07298	100.0
188.97951	0.2
528.34320	1.1
546.35443	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	546.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.5
55.05503	14.6
57.03429	24.8
57.07058	2.4
63.75577	3.1
67.05495	58.7
69.07054	17.7
71.04979	5.8
79.05476	36.4
81.03400	92.4
81.07038	75.6
81.07483	4.2
83.04961	5.6
83.08590	21.1
91.05470	28.4
91.83301	2.3
92.09356	5.6
93.07021	54.3
95.04945	28.3
95.08571	21.1
97.06528	6.1
97.10101	3.5
105.07017	15.4
107.04935	4.2
107.08585	27.2
109.10155	5.7
111.08070	14.4
117.07004	10.2
119.08572	14.5
121.06522	3.2
121.10124	17.0
129.06990	11.0
131.08575	14.7
133.10118	9.7
135.11691	3.8
142.07767	2.7
147.11674	5.3
149.09642	4.4
149.13255	19.5
157.10127	5.8
159.11665	8.8
175.11162	5.1
193.12192	25.4
195.13800	2.8
267.15845	53.0
269.17340	41.0
295.83154	2.5
461.28949	100.0
535.02759	2.8
547.26465	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	546.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.3
53.03933	6.6
55.01624	1.8
55.01863	26.8
55.05504	47.1
57.03426	47.9
57.07058	2.4
65.03922	2.9
67.05151	2.2
67.05495	63.6
69.03413	9.2
69.07050	19.8
71.04975	9.5
73.02896	9.4
79.05009	1.9
79.05474	67.0
81.03397	100.0
81.07037	61.7
82.04185	10.1
83.04962	38.4
83.08603	37.5
84.02113	1.2
85.02889	34.4
85.06525	5.6
87.04404	1.3
88.14927	1.4
91.05459	68.6
93.07018	42.8
95.04948	49.2
95.08586	22.3
97.02872	7.4
97.06496	14.4
97.10135	19.8
98.07287	6.6
99.08076	2.6
105.07008	41.5
107.04933	15.4
107.08579	18.3
109.06493	11.1
109.10129	7.0
111.04404	9.5
111.08049	17.9
113.05995	4.8
115.05429	4.7
116.04696	16.9
117.06984	8.6
119.08562	33.0
121.06488	3.1
121.10107	21.4
123.08063	11.7
123.11626	1.5
125.09618	18.1
127.07610	1.5
129.05457	44.2
129.06934	18.5
131.08536	24.3
133.06458	5.6
133.10121	20.3
135.08025	5.3
135.11626	7.5
136.08766	1.6
137.09605	1.9
142.07753	2.6
143.06996	11.4
145.10110	10.1
147.07982	2.3
147.11655	22.6
149.09563	8.7
153.12701	1.9
153.71825	1.4
155.08525	1.6
157.08583	22.4
157.10106	22.7
163.11150	8.2
165.12770	5.1
171.10133	7.9
173.11641	1.5
175.11104	16.1
181.12177	1.7
185.11835	1.9
189.11195	6.4
191.10594	1.7
193.12213	54.6
199.13280	7.5
209.11681	2.3
211.13254	63.5
227.12801	11.0
255.15941	1.5
267.15854	20.4
283.15350	9.4
285.16895	49.0
301.16373	63.2
339.17926	2.5
340.86432	1.3
372.65628	1.3
405.29883	2.5
439.26868	2.3
464.99210	1.5
493.28024	11.0
511.21765	2.3
511.28897	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.7
53.03936	3.8
55.01871	8.9
55.05504	19.0
57.03432	13.3
57.07065	1.3
61.02917	3.6
64.72705	0.7
67.05492	36.9
69.03415	8.6
69.07059	22.7
69.94865	0.9
71.04980	5.8
73.02894	0.9
76.08951	0.8
79.05476	37.1
81.03400	23.7
81.07037	44.9
82.07404	0.8
83.04959	13.3
83.08599	10.5
85.02888	13.9
85.06542	1.7
91.05463	32.7
93.07027	43.8
95.04941	16.0
95.08583	30.2
96.02871	0.9
97.02864	7.4
97.06521	9.2
97.10145	3.8
99.04451	1.9
99.08073	1.9
105.07014	43.7
107.04935	15.2
107.08575	27.0
109.02861	5.4
109.06503	17.5
109.10147	13.1
111.04445	4.2
111.08070	5.4
111.62801	0.8
113.05993	1.7
113.09625	1.0
115.05417	1.0
117.07014	11.9
119.08558	27.9
121.06469	20.9
121.10108	18.1
123.04484	1.0
123.08041	10.5
123.11668	1.5
125.05984	1.6
125.09621	1.1
127.03895	29.4
129.06993	8.0
131.08540	32.0
133.06488	4.8
133.10106	32.7
135.08047	10.7
135.11665	13.3
137.05972	1.2
137.09602	4.3
141.07001	1.6
142.07858	0.9
143.08548	4.0
145.06468	4.7
145.10101	26.9
147.08000	6.5
147.11673	21.1
149.09576	13.7
149.13232	4.4
151.11192	6.6
155.08540	4.7
157.10098	9.0
159.08054	8.3
159.11658	17.5
161.09517	7.1
161.13268	3.5
163.11166	14.2
165.12686	1.2
169.10121	4.1
171.11685	3.6
173.09613	8.6
173.13235	9.1
175.11180	8.2
177.09091	1.2
177.12741	2.1
181.12190	1.6
183.11684	3.4
187.11102	1.9
187.14796	1.7
189.12769	1.2
191.10738	1.8
191.14323	3.9
193.12263	5.0
197.13284	3.3
201.12689	4.6
205.19493	1.0
207.13808	3.7
211.13266	9.7
215.17886	2.0
217.15967	0.9
219.13805	4.9
229.19490	3.7
231.17375	1.4
233.15314	1.2
239.17874	4.5
243.03265	1.0
247.20650	6.4
255.15866	3.5
257.18933	20.0
275.20007	100.0
276.20392	1.1
283.15372	27.0
284.56833	1.1
285.16956	1.4
293.21039	24.6
335.22110	8.6
349.23672	79.2
357.94205	0.9
367.24728	23.0
383.22141	3.4
401.23297	7.0
419.24179	20.1
437.25256	28.9
475.26831	4.2
493.28107	6.0
511.28784	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01866	3.0
55.05504	8.0
57.03141	0.3
57.03424	7.5
57.07067	0.7
61.02909	2.1
67.05148	0.6
67.05489	15.3
69.03426	2.2
69.07054	10.9
71.04959	1.7
73.02890	0.5
76.84038	0.3
76.94265	0.3
79.05003	0.3
79.05472	13.3
81.03398	3.7
81.07037	22.9
83.01290	0.3
83.04966	6.4
83.08604	4.1
85.02882	3.0
85.06532	0.7
91.03939	1.3
91.05456	15.1
93.07021	20.4
95.04953	5.8
95.08579	14.7
97.02847	1.4
97.06503	3.7
97.10163	2.1
99.04375	0.3
99.08092	0.5
105.07012	19.4
107.04939	6.5
107.08573	13.5
109.02831	0.3
109.06501	7.3
109.10143	6.4
111.04391	1.0
111.08048	2.0
117.06993	6.8
117.07770	0.5
117.93288	0.2
119.08558	12.7
121.06470	9.0
121.10114	7.9
123.08041	4.3
123.11666	1.8
125.09577	1.4
129.06976	2.0
130.07700	0.3
131.08539	14.2
133.06474	2.5
133.10106	14.4
135.08058	4.4
135.11653	5.0
137.09596	2.1
139.44519	0.3
141.06967	0.6
142.07790	0.3
143.08562	2.6
145.06459	1.8
145.10097	12.0
147.08038	3.3
147.11670	8.8
148.53766	0.3
149.09593	6.6
149.13191	3.0
151.11162	3.9
155.08522	1.6
157.10089	3.5
159.07990	2.1
159.11655	7.6
159.82268	0.3
161.09587	2.6
161.13203	3.0
163.11131	6.1
163.14760	0.3
165.12724	0.5
169.10092	1.5
171.11607	3.0
171.20729	0.3
173.09590	2.6
173.13225	4.8
175.11188	2.9
175.14809	0.7
175.52960	0.3
177.12668	1.7
179.10645	0.4
181.12152	0.6
183.11708	2.5
185.13208	0.3
187.11226	1.1
187.14833	1.1
189.12717	0.4
191.14268	2.7
193.12201	1.7
197.13206	1.6
199.14809	0.5
201.12697	2.7
205.19391	0.4
207.13805	2.0
211.13184	0.6
213.16504	0.4
215.14369	1.0
215.17900	2.1
217.15958	0.3
219.13751	2.8
229.19598	2.2
231.17297	0.4
233.15442	0.4
239.17868	2.4
247.20493	3.3
257.18912	7.7
267.15903	0.5
275.20001	42.9
283.15393	1.8
285.16925	1.2
293.21112	4.5
301.16412	0.6
349.23657	100.0
350.24185	1.2
350.59756	0.3
367.24677	2.8
475.26752	1.7
493.27771	1.8
511.28970	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84675	0.9
51.42031	0.9
53.03939	2.3
55.01860	6.3
55.05512	16.1
57.03428	7.0
61.02919	2.3
67.05494	29.3
68.21021	0.9
69.03427	4.9
69.07053	13.0
71.04984	1.3
72.27484	1.0
73.02927	1.3
79.05479	27.5
79.36082	1.0
81.03398	9.1
81.06597	1.9
81.07045	35.4
81.82894	0.9
83.04978	5.6
83.08598	6.7
85.02898	6.2
91.05466	32.8
91.51118	1.0
93.07036	27.7
95.04945	7.3
95.08585	19.0
96.08051	0.9
97.02861	1.6
97.06508	6.7
97.10126	1.4
105.07019	42.2
105.07727	1.4
107.04946	9.3
107.08582	15.5
109.02844	1.2
109.06506	7.1
109.10123	10.3
111.04492	1.2
111.08067	1.5
117.06999	12.8
119.08556	33.2
121.06478	2.0
121.10132	7.1
123.08045	5.7
123.11683	1.6
125.17339	1.0
129.06973	4.9
131.08522	14.4
131.71892	1.1
133.10117	27.5
135.08044	5.1
135.11667	5.9
137.09592	1.4
143.08548	2.4
145.10089	11.6
147.08099	1.5
147.11714	12.7
149.09637	6.7
149.13258	1.3
157.10130	2.5
157.72804	1.1
159.11685	6.4
161.13242	1.7
163.11111	2.1
169.28989	1.2
171.11728	1.3
173.09660	1.2
173.13248	4.3
175.11156	1.3
177.12796	1.2
179.97527	1.0
195.11507	1.1
247.20467	1.4
257.18762	1.3
275.19980	25.2
293.21066	1.6
301.16568	1.2
330.68832	1.2
349.23676	100.0
405.29761	1.1
493.27469	2.4
511.28879	6.7
546.12988	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33185	3.6
53.06947	4.0
55.05505	37.9
57.03435	5.4
57.07064	22.9
67.05495	58.5
69.07052	54.4
71.04985	4.1
71.08606	8.8
79.05476	34.7
81.03389	4.3
81.07032	100.0
83.08597	32.8
91.05467	24.9
93.07031	72.7
95.08575	80.7
97.06528	6.7
97.10163	7.3
105.07031	46.0
107.08562	45.4
109.10133	68.8
111.08068	6.1
116.14522	4.1
119.08572	44.1
120.08108	4.8
121.10123	36.5
123.08067	7.5
123.11678	17.6
133.10117	71.0
134.28224	4.9
135.11652	19.2
137.09608	8.8
138.77678	5.8
141.07236	4.9
145.10143	4.6
147.11676	18.4
149.13240	24.2
161.13298	6.0
163.14783	6.0
178.16098	4.8
189.16270	5.6
219.21017	5.2
237.22049	7.9
255.23233	6.5
273.25702	19.8
291.26913	20.2
411.01022	4.8
545.49237	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	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00964	0.8
54.93279	0.9
55.01857	4.7
55.05505	12.2
57.03424	11.1
57.07066	2.2
62.06079	1.4
67.05499	17.7
69.07055	13.6
70.91261	0.9
71.04979	2.3
71.08612	8.0
79.05471	12.0
81.03401	5.2
81.07040	28.9
83.04988	4.2
83.08595	8.8
84.88767	1.0
85.02872	2.2
89.98905	1.1
91.05469	12.7
93.07028	16.3
95.04948	2.3
95.08588	18.8
97.06485	4.3
97.10139	1.7
98.98462	1.9
99.08092	4.7
105.07017	17.6
107.04959	1.5
107.08574	14.0
109.06503	14.0
109.10140	9.6
111.08057	2.3
117.06956	1.3
119.08572	17.9
121.10122	8.2
122.07243	1.1
123.08057	27.4
123.11691	2.2
129.06987	1.4
131.08571	5.3
133.10143	13.1
135.08018	16.2
135.11702	4.4
137.09608	4.5
139.11183	1.0
143.08531	1.1
145.10098	6.3
147.11646	9.1
149.09592	6.1
149.13275	2.3
157.10106	1.5
159.11682	4.6
161.09602	1.8
161.13289	1.8
163.11008	1.3
165.12704	1.1
167.14243	1.4
173.09602	1.2
173.13220	1.2
175.14861	4.0
177.12723	2.5
179.12718	1.5
179.14267	40.5
193.12231	1.7
193.15819	1.2
205.15862	5.9
211.13217	1.5
229.14256	2.2
263.19910	1.7
267.15668	1.3
275.19977	2.4
289.21634	4.4
303.26749	1.7
331.26300	21.7
349.23660	1.8
349.27359	6.7
387.28687	3.6
405.29929	100.0
435.27155	1.3
503.27496	6.4
546.31567	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
54.81900	2.1
55.05506	25.0
57.03422	11.2
57.07059	3.3
61.17941	1.9
61.32724	1.9
66.51620	1.8
67.05492	46.8
69.07048	9.5
79.05484	29.9
81.03407	42.3
81.07034	47.6
83.04943	3.2
83.08602	15.5
85.06542	4.0
91.05468	23.4
93.07017	31.8
95.04940	19.3
95.08569	27.6
97.10134	11.1
98.04924	2.3
105.07015	19.6
107.04946	3.3
107.08559	17.9
109.06519	2.6
109.10139	13.2
117.06984	10.9
119.08526	19.6
121.10116	12.1
123.11605	2.8
125.09605	2.9
129.06998	7.6
131.08542	13.5
133.10121	13.0
135.11613	4.5
135.87621	2.1
145.10095	9.9
147.11636	4.7
149.13232	2.9
157.10107	2.9
159.11610	4.7
171.11722	2.5
189.11191	2.9
193.12270	3.6
217.43149	2.5
227.12785	2.7
239.14594	2.6
261.22031	3.6
267.15707	16.1
301.25195	7.8
335.25763	11.0
453.33368	2.7
471.34396	2.8
527.37286	23.9
527.73737	2.9
545.30634	100.0
545.38147	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	545.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01866	10.3
55.05500	14.8
57.03429	6.7
59.35894	0.5
61.02908	2.6
65.03918	1.3
67.05490	20.3
69.03410	3.0
69.07061	7.4
71.04956	1.4
73.02902	1.2
79.05473	39.4
81.03393	4.2
81.07036	100.0
83.04963	15.5
83.08605	6.7
85.02887	9.4
85.06532	1.2
91.03922	0.8
91.05460	15.7
91.06004	1.0
92.09273	1.1
93.07018	24.6
95.04951	12.4
95.08585	11.0
97.02887	0.9
97.06519	3.9
97.10152	7.3
99.04439	2.9
99.64973	0.5
103.05464	1.1
105.03351	1.0
105.07012	15.8
107.04932	7.5
107.08573	12.5
109.05723	1.2
109.06495	34.4
109.10129	6.7
111.04417	21.5
111.08052	6.8
116.06248	0.8
117.06995	12.4
117.10547	0.5
119.04890	0.8
119.08558	29.7
121.06473	8.9
121.10125	10.6
123.08038	7.5
125.05939	0.9
125.09615	4.7
129.05464	0.7
129.06972	5.9
130.07753	0.7
131.04871	0.6
131.08536	10.7
133.06494	3.7
133.10103	4.2
135.08032	4.2
135.11671	7.8
137.09584	3.6
143.08524	4.4
145.06432	1.3
145.10100	11.9
147.08025	13.0
147.11691	2.5
149.09576	5.1
153.12686	5.9
155.08525	0.8
157.10008	4.8
159.08051	1.1
161.09628	7.0
163.11136	9.5
165.09085	3.6
169.10156	0.5
171.11627	1.3
173.09573	2.2
175.11232	0.9
181.12183	5.0
183.10158	0.8
183.11816	0.6
185.13184	2.1
189.11119	1.2
191.10666	3.9
223.13321	2.5
227.12758	3.4
227.17970	1.0
229.14183	1.0
245.18907	0.9
249.14743	4.7
255.17462	1.4
273.18384	15.7
291.16949	1.0
291.19470	53.8
347.22079	6.9
365.23151	63.4
476.10425	0.7
545.28027	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70099	4.0
53.03947	5.3
55.01851	5.8
55.05508	40.6
55.42418	4.5
57.03432	10.1
67.05499	77.9
69.07081	17.6
79.05479	81.2
81.03389	66.0
81.07037	100.0
83.04971	8.9
83.08601	25.3
91.05483	44.1
93.07020	74.0
95.04932	37.2
95.08575	46.6
95.94734	5.3
97.06490	8.7
97.10154	11.9
105.07030	39.9
107.08576	39.8
109.06506	7.2
109.10128	9.1
110.74850	4.7
111.08096	7.7
113.09748	5.9
116.89201	4.8
119.07787	5.1
119.08566	35.0
121.06465	5.4
121.10104	23.7
129.06999	6.7
131.08537	22.9
133.10065	11.1
135.11642	8.9
145.10141	8.0
147.11623	10.3
149.13252	5.9
157.10066	23.1
161.13249	5.3
193.12202	23.1
211.13190	7.3
267.15881	20.6
335.25601	23.5
527.36975	32.7
545.38739	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1987
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
51.76271	0.3
56.06273	0.4
71.40995	0.4
75.61191	0.4
85.36021	0.4
106.13797	0.4
113.91874	0.4
137.05983	0.7
151.07573	0.5
152.07971	0.6
154.08496	0.5
185.04274	0.5
360.36102	0.4
383.14691	2.4
534.18298	0.4
545.19830	100.0
546.20410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1994
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
55.01841	0.4
57.03416	0.3
58.04873	0.4
67.91257	0.4
69.03429	0.5
69.07038	0.4
70.06583	0.5
74.76130	0.4
81.03398	0.8
85.02871	0.9
86.32664	0.4
91.05505	0.6
93.07025	0.6
95.04963	0.7
95.08584	0.7
97.02889	0.4
105.07027	0.9
107.04960	0.7
107.08598	0.4
109.10151	0.6
121.10155	0.6
133.10158	0.4
137.05956	3.4
138.06335	0.7
138.09035	0.4
151.07562	0.9
155.59889	0.4
175.07509	0.8
189.09125	0.9
191.14317	0.5
228.48856	0.5
252.16592	0.5
311.12854	0.8
333.11148	0.9
365.14117	0.6
365.22867	0.6
383.14850	2.5
498.84674	0.5
515.18835	0.8
545.19849	100.0
546.20074	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.9
53.03922	1.2
55.01865	20.7
55.05505	30.8
56.05017	1.9
57.03423	3.6
57.07067	10.8
58.99567	4.6
62.62952	0.8
65.03926	1.2
67.05490	51.7
67.05851	1.7
69.03419	4.0
69.07051	26.4
71.04971	2.1
71.08616	4.2
74.00649	2.1
76.02211	5.1
77.34720	0.9
79.05471	33.4
81.03403	4.6
81.07037	79.4
83.04971	13.4
83.06106	1.2
83.08598	19.5
84.04489	47.9
85.02880	1.5
85.06529	1.8
85.10168	14.6
85.83030	0.8
86.99020	1.4
88.03985	2.1
91.05463	29.0
92.08683	1.2
93.07024	41.8
95.04933	14.4
95.08584	45.0
97.01105	3.4
97.06503	15.4
97.10168	5.4
99.02672	1.6
99.08096	2.1
100.11185	1.1
102.05544	1.2
105.07011	27.1
105.70675	0.9
107.04926	7.2
107.08580	21.7
109.06508	8.7
109.10137	18.0
109.10844	1.0
111.02646	1.4
111.08067	31.1
112.02198	2.1
113.00571	1.1
113.09638	13.7
114.03719	3.3
115.05780	3.8
117.07027	5.7
119.08559	20.7
121.06477	1.0
121.10127	17.4
122.02691	6.4
123.08043	7.0
123.11665	10.3
125.09666	1.2
127.02137	1.1
129.06926	4.4
130.04948	7.7
131.08549	7.1
131.56615	1.0
132.99580	4.8
133.10101	19.1
135.08028	1.2
135.11673	9.8
137.09616	3.7
137.13252	1.7
138.99376	0.9
139.11200	1.5
140.01566	0.9
142.03235	1.7
143.08540	2.5
145.10156	5.1
147.08070	1.9
147.11667	21.5
149.09583	6.0
149.13245	8.2
151.11150	6.5
153.09152	1.2
153.12720	11.3
157.10150	3.3
158.02739	4.8
158.09993	1.3
159.03545	1.4
159.11717	1.5
161.13199	7.8
163.11145	6.5
163.14827	4.7
165.12715	30.8
170.10007	5.7
171.11693	2.0
173.02682	1.3
173.13252	3.2
173.80701	0.9
175.11203	4.0
175.14790	3.6
177.12811	1.3
179.08911	1.0
179.14288	5.4
183.08449	1.5
185.13196	1.5
187.07822	1.4
189.12685	1.4
191.14294	1.0
193.10513	1.1
193.12192	1.2
193.15852	1.5
200.09821	0.9
204.10712	0.9
207.12047	1.3
207.13902	1.3
209.15417	3.2
215.09741	7.4
216.10617	1.3
221.15402	1.9
231.04294	3.2
231.21069	4.1
233.05893	1.0
241.19527	1.4
249.22078	9.3
251.06985	4.4
257.90076	0.9
259.20587	5.9
277.21564	100.0
295.22638	29.0
309.18945	3.6
335.20462	4.0
352.23016	5.2
353.21429	1.8
357.07693	1.0
359.07922	1.0
370.23819	1.8
380.22440	3.2
398.23511	48.6
409.02899	0.9
416.24591	45.8
418.23740	1.2
436.25116	1.6
527.27759	6.6
528.26489	3.9
545.28888	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34828	0.2
55.05490	0.5
55.40102	0.2
56.05019	0.3
57.03416	0.3
58.06594	0.2
60.07870	0.5
60.08152	9.5
60.80558	0.3
67.05487	1.9
69.07042	0.6
70.60651	0.3
71.07352	4.5
75.30436	0.2
79.05461	1.1
81.07029	1.7
86.09689	47.6
91.05434	1.2
93.06998	1.2
95.08578	1.1
98.98448	4.3
101.49825	0.3
104.10735	3.2
105.06979	0.3
105.55735	0.3
107.08597	0.7
109.10168	0.4
110.46696	0.3
111.06605	0.3
112.91938	0.3
119.08589	0.3
120.96630	0.6
124.99979	34.0
131.08592	0.3
143.01007	0.6
143.12686	0.3
152.37350	0.3
161.81326	0.3
184.07301	100.0
185.07520	0.4
207.82396	0.3
207.99789	1.6
308.34308	0.3
377.89032	0.3
412.58734	0.3
470.02875	0.3
526.32581	1.0
544.26410	0.4
544.33984	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	544.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70750	1.1
53.03922	1.6
55.01862	2.6
55.05507	2.0
56.95387	1.2
57.03429	2.7
59.34218	1.2
61.02912	3.0
65.03885	1.3
66.09978	1.2
67.05489	5.5
69.03410	16.7
70.06564	1.9
71.04998	1.4
72.08136	6.9
74.05593	1.3
78.65852	1.3
79.05475	9.5
81.03416	7.3
85.02895	30.6
91.05463	32.1
92.09290	2.1
93.07011	3.4
95.04939	3.2
95.08587	1.5
97.02866	10.5
97.06509	3.5
99.04453	2.0
103.05440	2.4
105.07002	20.8
106.06554	1.8
107.04946	14.0
107.08595	1.8
109.02902	3.0
109.06492	1.8
111.04435	2.7
115.05449	7.5
117.07012	7.7
119.04894	3.6
119.08543	3.4
119.10024	1.3
121.06477	6.9
123.08045	7.7
125.05968	9.3
127.03900	7.1
129.07025	8.9
131.04887	7.4
133.06471	62.2
135.08018	3.5
135.89897	1.5
137.05954	35.9
138.06305	2.2
141.06970	2.9
143.08542	7.8
145.06433	3.0
147.04399	3.0
147.08034	50.1
148.05171	1.9
149.06000	2.5
149.09673	2.4
151.03912	2.0
151.07529	40.9
153.07036	1.7
157.06419	2.9
159.08035	1.6
161.05959	12.4
161.09624	5.9
162.06612	1.6
163.07545	7.4
165.05630	1.8
165.07014	7.8
166.07805	7.3
171.08020	8.2
175.07535	17.1
177.09082	100.0
178.07739	5.6
179.07001	10.4
179.08549	12.5
181.06439	2.6
181.08615	2.4
181.10074	18.7
183.08058	1.4
187.07477	2.8
189.06914	1.9
189.09090	9.8
190.07712	3.1
191.06996	2.1
191.08559	9.7
192.09351	2.1
193.08508	2.3
193.10112	3.2
195.08072	6.5
195.10144	19.1
195.11591	1.8
202.07782	2.0
203.08578	6.2
203.10722	5.9
204.09283	13.3
205.06485	2.7
205.10133	3.1
206.07271	6.6
207.08022	7.8
207.10066	7.6
207.11760	8.0
208.08838	7.5
209.09550	16.0
211.07497	2.4
218.07350	1.8
218.11707	1.8
219.08116	28.0
219.10002	2.1
219.11670	19.2
220.08658	2.7
221.09595	25.8
221.11734	15.7
223.07457	5.4
224.08347	2.4
225.09070	2.9
229.10190	8.0
231.08052	2.2
232.08809	22.2
235.11172	3.4
236.08278	2.8
237.09039	7.3
237.12776	2.3
239.10643	8.8
241.12189	25.0
247.11125	42.1
250.09729	1.6
251.10655	17.5
252.11455	1.8
253.12239	13.7
264.11493	2.7
265.12167	48.9
265.14801	2.6
267.13791	3.2
269.11743	7.6
269.15305	2.0
271.13165	2.9
279.13718	12.5
283.13141	1.8
285.14786	22.2
297.14783	49.7
311.16473	1.6
315.15826	29.0
320.18558	1.5
329.17279	1.7
331.15308	1.8
347.18445	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	544.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01870	2.4
55.05504	1.5
56.96550	1.2
57.03426	2.2
61.02912	1.6
62.29737	0.9
65.03925	1.4
67.05470	5.0
69.03418	12.4
69.67205	1.0
70.06568	5.8
71.04947	2.1
71.24921	1.0
72.08137	1.9
73.02892	1.9
79.05462	6.6
81.03397	7.7
81.07033	2.5
83.04980	2.2
84.08147	1.7
84.38969	1.1
85.02892	36.8
86.09693	1.5
91.05463	25.2
93.03345	2.6
93.07012	5.0
95.04948	2.7
95.08559	4.8
97.02872	8.7
97.06503	5.0
98.97546	4.8
103.05450	5.6
105.07022	20.9
107.04923	13.7
107.08593	1.4
109.02868	2.2
109.06533	2.6
109.10128	1.7
111.04408	1.2
115.05442	6.3
116.98586	2.6
117.06957	9.6
117.53208	1.2
119.04898	5.4
119.08551	7.6
121.06483	7.5
123.08030	9.3
125.05962	5.2
127.03889	5.8
128.06161	2.6
129.06992	5.8
131.04907	9.6
133.06476	69.9
133.10123	1.4
135.08049	5.1
137.05951	27.9
143.08534	6.3
145.04929	1.9
145.06448	2.7
146.99611	1.5
147.04391	2.3
147.08037	47.9
149.05995	1.7
149.09607	2.0
151.07527	35.9
153.05421	1.3
153.06866	1.5
155.08530	1.4
157.06470	1.8
161.05968	10.8
161.09579	5.2
162.06668	1.5
163.07533	7.6
165.06934	1.5
166.07718	5.7
167.08514	1.5
171.08014	2.7
175.07506	22.2
177.09074	100.0
178.07718	2.7
179.06981	6.4
179.08534	9.1
181.06537	2.0
181.10086	13.6
183.08060	2.8
187.07504	2.8
189.09103	9.5
191.08551	9.7
192.09171	1.6
193.08562	1.6
193.10101	4.8
194.07193	2.4
195.08205	4.4
195.10100	21.6
199.07611	1.5
201.09135	2.0
203.08566	5.3
203.10687	5.7
204.09297	11.0
205.06496	1.4
205.10153	2.7
206.07285	5.6
207.08015	6.5
207.10071	4.4
207.11775	2.5
208.08820	5.7
208.14284	1.5
209.09601	15.6
211.07426	4.4
218.07239	1.6
219.08090	30.9
219.10022	2.1
219.11690	16.9
221.09567	17.1
221.11714	14.9
223.07419	2.3
224.08398	1.3
225.09152	2.2
229.10112	6.1
231.08038	2.5
232.08821	16.6
235.11151	6.4
236.08221	2.2
237.02733	1.6
237.09081	10.5
237.12709	1.9
238.09912	2.3
239.10672	11.3
241.12169	20.3
247.11127	37.5
247.13438	2.1
249.11266	2.6
250.09850	1.5
251.10637	18.9
253.12152	7.8
264.11325	1.8
265.12201	35.1
266.12720	1.5
267.13599	2.3
269.11594	6.7
271.13226	1.8
279.13663	9.6
285.14758	17.6
297.11444	2.4
297.14771	28.2
315.15854	23.8
329.13843	5.0
339.49826	1.3
340.63898	1.6
341.09702	1.7
347.14465	1.3
347.18512	8.8
390.69870	1.3
427.16324	2.6
449.43631	1.4
544.24237	1.8
571.06598	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.8
63.65368	0.9
67.05478	2.6
72.08128	1.3
79.05475	4.5
81.03365	1.6
81.07024	2.3
83.04956	1.0
84.04433	1.1
85.02911	1.8
91.05462	18.2
92.09392	1.8
93.07021	5.9
95.04942	9.3
97.02843	1.2
97.06569	1.2
103.05438	5.2
105.06996	6.5
107.04939	55.7
107.08541	1.8
109.06509	2.5
111.04408	4.4
115.05446	2.7
116.66877	1.2
117.07001	6.4
119.04926	12.4
119.08492	1.3
119.52555	1.1
121.02816	1.8
121.06486	21.8
122.03619	2.1
123.04394	2.1
123.08035	1.8
125.05973	2.6
127.03914	1.3
128.06172	2.0
129.06964	6.9
131.04906	13.8
131.08537	5.6
133.06438	7.2
133.10143	2.0
135.04393	2.3
135.07991	5.5
137.05949	78.4
141.06949	1.6
145.06471	6.4
147.04404	2.5
149.05965	14.9
149.09653	1.4
151.03888	2.2
151.07520	37.8
153.01785	1.3
153.05527	1.9
157.06454	6.0
159.07982	2.7
161.05948	47.2
161.09566	14.6
162.06706	1.1
163.07507	100.0
165.06982	5.3
165.09102	1.9
167.08528	4.4
171.07970	1.5
173.05894	1.7
174.06728	5.4
175.07494	14.0
177.05396	2.1
177.09055	8.0
179.06950	1.6
179.08525	2.4
181.06448	5.9
181.08531	2.5
182.07120	1.3
187.07491	9.7
189.09053	42.3
191.07033	1.4
191.08548	5.4
193.06477	6.2
194.07289	2.1
195.08038	11.7
195.10165	7.5
197.09534	1.6
199.07399	1.2
201.08945	1.2
203.08502	1.7
205.06467	1.3
207.08012	6.1
207.10147	18.5
208.08734	1.6
209.05969	1.5
209.09602	2.3
210.06758	4.6
211.07504	4.5
212.08269	1.9
213.09071	2.0
219.07985	10.6
219.10130	18.1
221.05910	9.0
221.09627	2.2
222.06721	1.1
223.07454	5.9
223.11053	1.2
224.08167	2.5
225.05551	1.3
225.09035	9.7
227.06963	2.0
227.10640	4.7
231.08015	1.8
233.06029	1.6
234.06592	2.3
235.07518	7.8
236.08192	2.2
237.09007	5.9
238.06079	2.3
239.07002	2.6
239.10565	4.4
240.07713	2.1
241.08531	5.5
247.07480	6.5
248.08206	2.4
249.09032	4.6
251.06866	3.8
251.10614	6.9
252.07689	4.9
253.08513	13.7
253.12122	4.8
254.09312	1.3
255.06500	4.9
255.10023	7.8
257.12027	1.3
265.08517	12.0
266.09326	1.4
267.10107	16.8
269.08081	1.7
269.11780	1.7
270.08691	2.4
272.10446	1.7
277.08578	2.7
279.10080	12.3
279.63016	1.1
280.10822	1.3
281.08295	1.3
281.11664	5.1
283.09528	5.1
285.11148	17.8
287.12756	5.1
291.10071	1.7
293.11728	1.5
296.10297	5.4
297.11172	11.5
299.12738	2.2
309.11203	4.5
310.11819	4.4
311.12628	18.6
313.14288	16.7
323.12610	2.1
329.13803	15.5
331.15335	4.6
337.14230	4.3
341.13760	2.3
355.15192	5.1
367.15417	1.5
431.18912	3.9
449.19910	8.2
461.19562	28.9
479.20499	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	544.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05697	0.4
63.38438	0.4
69.03404	1.0
69.07045	0.6
79.05473	2.1
79.67464	0.4
81.03420	0.5
81.07001	0.7
85.02882	0.5
90.29869	0.4
91.05453	4.6
92.08648	1.1
93.06989	0.5
94.04147	0.8
95.04967	0.9
97.06494	1.9
102.04621	1.0
103.05446	35.9
105.07005	6.8
107.04907	3.6
107.08545	0.6
109.06480	0.6
109.51719	0.5
112.94784	0.5
115.05402	2.4
117.06993	1.9
119.04928	4.3
119.08513	1.0
119.61560	0.6
121.06467	2.7
122.03636	4.3
123.04352	1.0
128.06177	1.2
129.06927	0.7
130.04108	5.6
131.04895	100.0
131.08522	1.8
132.05247	0.5
133.02780	1.2
133.06454	6.9
135.04382	2.1
135.07986	1.2
137.05948	80.2
138.06314	0.7
143.08484	1.1
145.06424	4.5
146.03580	2.1
147.04391	11.4
147.08012	5.1
149.05974	7.1
150.06746	6.2
151.03900	2.2
151.07538	4.2
157.06535	0.5
159.08006	2.7
161.04578	0.5
161.04955	0.4
161.05934	20.0
161.09593	2.8
162.06723	24.1
163.07503	85.3
167.08424	0.5
169.06398	0.6
171.08069	3.9
173.09660	0.5
175.07518	3.4
177.05435	3.4
179.06998	3.2
181.08556	0.9
185.05934	1.1
187.07477	7.5
189.09056	6.5
199.07507	3.0
201.09160	0.7
205.06725	0.7
205.08557	8.3
207.08141	0.6
207.10080	1.9
211.07622	0.7
221.09622	0.6
225.09010	1.2
231.10071	0.9
233.09602	0.6
235.07320	0.8
235.11125	0.8
239.10649	1.1
243.10074	0.9
247.07805	0.6
249.08932	0.8
253.08562	0.7
265.08658	0.6
267.09982	0.7
279.09863	0.9
281.08063	0.5
281.11450	0.7
283.09567	0.6
291.10220	0.9
295.09744	0.6
299.12680	2.1
309.11066	1.0
311.12704	5.5
323.12686	16.3
329.13788	0.7
337.14355	0.8
341.13828	2.0
355.15350	4.5
367.15314	9.2
372.53766	0.6
385.16385	5.0
461.19156	1.0
491.20639	0.6
544.22919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97554	0.8
51.43451	0.7
51.93846	0.8
54.81604	0.8
54.81856	0.9
61.02910	1.2
69.03412	5.2
70.06597	1.0
79.05486	1.4
81.03384	1.4
84.04498	1.2
85.02882	14.4
91.05469	2.3
92.09283	2.2
93.07000	1.4
97.02872	4.2
103.05440	4.3
104.82185	0.9
105.07025	7.8
105.43923	0.9
105.72566	1.0
107.04932	11.5
107.08596	1.6
113.05963	1.2
115.05412	1.0
119.04913	2.3
120.12675	1.1
121.06496	7.0
122.03664	5.1
127.03862	1.0
129.06952	2.3
131.04910	19.4
133.06456	11.6
137.05959	100.0
147.04379	2.4
149.05972	22.0
151.07513	3.7
161.05949	81.3
162.06673	1.6
163.07507	29.1
173.05968	1.2
175.07527	3.8
181.08514	1.5
181.16692	1.0
187.07521	5.1
267.10129	4.1
281.11612	1.2
299.12704	10.3
311.12726	20.8
317.13898	3.6
329.13773	10.9
350.97891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.2
55.01871	2.3
55.05508	61.8
56.96415	1.1
57.03431	1.9
57.06867	1.3
57.07074	21.7
67.05495	76.5
69.03413	2.5
69.07058	90.0
71.04980	1.8
71.08617	10.5
73.06537	1.6
79.05483	34.7
81.07044	100.0
82.07381	1.6
83.04965	4.9
83.08607	52.6
85.06536	6.0
85.10165	2.6
91.05467	20.4
92.98738	1.1
93.07024	47.5
95.04948	2.1
95.08589	97.8
96.08946	1.5
96.54642	1.2
97.06512	16.1
97.10155	35.7
98.05283	1.1
99.08058	3.0
101.06003	1.6
105.07026	20.9
107.08586	33.2
109.06522	1.9
109.10152	47.8
111.08050	11.1
111.11716	8.9
115.07526	1.7
119.08574	19.7
121.10131	48.2
123.08071	1.5
123.11684	16.8
125.09600	5.0
125.13290	1.7
131.08562	2.6
133.10121	17.3
135.11673	39.7
137.09558	2.4
137.13229	8.7
139.11180	6.1
147.11682	16.8
149.13239	15.7
151.11147	2.7
151.14821	4.5
153.12708	5.4
161.13243	9.1
163.14839	5.6
165.12686	1.4
167.14267	2.2
171.13736	2.0
175.14799	5.1
177.16409	1.4
217.19470	15.3
219.21103	8.9
233.18958	1.4
235.20535	27.9
237.22137	16.5
252.20442	1.6
253.21637	13.9
255.23161	14.7
271.22635	1.6
319.51025	1.2
360.67218	1.3
453.40662	1.8
471.41840	19.9
489.42993	56.2
490.43393	2.1
507.43976	31.8
559.69727	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81463	0.7
67.05497	0.5
81.07063	0.7
91.05460	0.7
107.47242	0.6
114.36343	0.6
123.98676	0.7
185.04126	0.8
259.08069	0.6
331.09982	3.9
380.07275	0.7
381.22467	4.6
415.19644	1.1
543.10907	5.5
543.27679	100.0
544.28241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73024	0.4
53.61367	0.4
54.53027	0.5
62.60285	0.4
70.65397	0.5
72.93362	0.6
74.22903	0.4
84.01817	0.5
85.45103	0.5
89.64363	0.5
91.05477	1.2
92.09255	0.6
93.07026	0.6
105.07030	0.5
119.08446	0.6
137.05995	1.3
177.05276	0.6
203.05289	2.2
259.07843	2.7
331.10019	0.7
363.21820	0.8
381.22516	3.3
404.33807	0.7
415.18939	0.8
543.27655	100.0
544.27991	1.1
553.40637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.6
57.07072	5.3
67.05486	26.7
69.07048	16.5
71.08590	3.7
75.21323	2.8
79.05470	34.8
81.07023	24.7
83.08602	32.6
85.10136	3.6
91.05463	19.8
93.07021	32.2
95.08579	26.3
97.06506	7.6
97.10124	6.3
98.96689	3.0
99.08044	5.3
105.07027	5.2
107.08593	26.8
108.37559	3.0
109.03880	3.1
109.10132	7.1
111.08066	4.8
111.69031	3.2
117.07012	4.0
119.08557	15.1
121.10135	54.1
123.08082	4.2
123.11695	4.3
131.08594	10.2
133.10101	15.2
135.07965	3.3
135.11688	22.8
137.09596	15.2
147.11656	7.0
149.09564	5.9
151.11189	12.3
152.69093	3.6
153.09053	5.4
198.46059	3.3
205.19640	3.7
213.16344	4.4
223.20538	3.6
231.17459	7.0
241.21573	6.5
249.18442	100.0
255.96768	3.4
267.19479	36.4
285.20483	4.7
295.37592	3.9
482.22400	3.3
543.32788	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	543.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	1.3
53.03935	1.6
54.81289	1.4
55.01867	1.9
55.05507	58.5
57.03427	3.5
57.07072	25.0
67.05147	2.8
67.05492	69.5
69.03394	1.7
69.07053	75.0
71.04982	2.1
71.08619	13.2
73.25166	1.7
79.05476	36.0
81.07037	95.9
83.04951	2.3
83.08116	2.9
83.08601	58.0
83.86705	1.5
85.06522	9.7
85.10171	3.1
91.05440	14.2
92.09251	1.8
93.07027	52.2
95.04933	2.7
95.08584	100.0
97.06509	18.3
97.10150	34.9
99.08046	3.4
105.07005	15.5
107.08567	34.3
109.10143	40.5
111.08044	10.2
111.11710	8.5
113.09609	2.4
119.08564	16.6
121.10122	44.6
123.08057	2.7
123.11700	16.3
125.09607	6.8
133.10114	21.3
135.11687	37.3
137.09534	1.5
137.13275	3.6
139.11148	6.3
145.10074	1.6
147.11699	12.3
149.13243	14.3
151.11147	2.0
151.14786	2.1
153.12712	3.1
161.13226	8.8
163.14804	9.8
175.14838	2.1
217.19482	17.9
219.21024	3.9
233.19095	2.8
235.20494	22.1
237.22090	18.8
240.47678	1.7
253.21594	19.3
255.23146	10.3
453.63361	1.7
471.41861	19.3
485.19125	1.9
489.42947	45.6
500.05777	2.2
507.43918	22.2
543.32312	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.7
53.03938	3.5
54.82029	0.6
55.01870	8.5
55.05508	22.7
56.05023	2.7
57.03432	2.7
57.07055	3.3
58.99562	1.1
65.03922	0.9
67.05495	40.9
69.03430	1.3
69.06711	1.3
69.07058	20.0
71.04992	2.5
71.95176	0.7
74.00639	1.4
76.02209	3.8
79.04992	1.0
79.05474	40.6
81.03410	4.2
81.07041	100.0
83.04967	7.5
83.06080	1.1
83.08606	12.9
84.04491	42.7
85.01131	3.1
85.02886	1.0
85.06530	1.4
86.99054	0.7
88.03976	4.4
91.05466	33.6
93.07022	34.3
94.07930	0.6
95.04954	17.6
95.08586	37.4
97.01127	1.4
97.06514	6.7
97.10160	3.0
99.08087	1.4
100.02155	1.0
102.05550	0.9
103.05429	0.8
105.00148	1.1
105.07022	39.3
107.04937	12.5
107.08589	21.7
109.06502	29.1
109.10155	11.8
109.76570	0.6
111.02661	1.1
111.08073	4.3
112.02222	0.7
113.04195	1.3
114.03748	2.3
117.06995	11.9
119.08568	35.1
121.06493	11.4
121.10132	17.3
122.02665	4.7
123.08065	8.8
123.11648	6.4
125.04215	1.1
125.09597	1.2
129.06947	3.2
130.05002	6.0
131.08551	17.9
132.01079	1.0
133.06491	2.7
133.10112	19.0
135.08063	6.1
135.11652	8.0
137.04202	0.7
137.09589	6.4
138.03674	0.8
139.05742	1.0
141.06999	1.2
142.03200	3.2
142.07799	1.0
143.08559	4.0
145.02023	0.8
145.06458	0.9
145.10110	15.6
147.08052	3.2
147.11674	23.3
149.09612	10.5
149.13243	9.1
151.11174	4.5
153.01761	0.8
155.08553	1.3
157.10138	5.4
158.02715	0.9
159.08008	1.1
159.11655	8.5
161.09656	2.9
161.13258	4.3
163.11151	8.3
163.14844	2.8
165.12694	5.3
168.08260	0.7
169.10104	1.5
171.07689	2.8
171.11714	3.0
173.09625	1.5
173.13261	7.1
175.11191	3.9
175.14853	1.0
177.12715	2.9
183.11694	1.6
185.03841	0.8
185.13228	0.9
187.11194	1.5
187.14899	1.3
188.03792	0.7
191.14336	2.5
193.12221	3.0
197.13300	1.0
198.05809	1.3
201.12779	1.2
207.13870	0.8
209.15402	1.5
213.08275	3.8
213.16396	0.7
215.14207	1.1
219.13780	1.0
222.30078	0.8
223.13403	1.0
229.19524	3.9
231.04387	1.3
237.14870	0.7
239.17923	2.8
242.57558	0.7
247.20546	5.9
251.06908	3.5
257.18954	8.3
275.20001	69.8
282.15244	2.5
293.21045	14.7
298.46411	0.7
307.17270	2.5
327.15024	3.4
331.54630	0.8
333.18811	1.5
350.21503	2.7
351.19919	2.6
368.22470	2.6
378.21091	4.7
396.21960	48.2
414.23016	41.2
416.22787	1.1
434.23532	2.8
520.77600	0.7
525.25940	5.2
526.25037	5.1
543.27325	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	543.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99105	0.1
52.98544	0.1
54.24920	0.1
54.81303	0.1
55.01865	0.2
57.03419	0.7
59.31760	0.1
69.03411	0.3
72.28710	0.1
73.02872	0.1
73.37936	0.1
85.02888	0.6
97.02868	0.2
115.03865	0.1
119.03545	0.5
133.04951	0.2
136.06166	100.0
137.04564	0.3
141.12674	0.1
143.03142	0.1
159.20631	0.1
268.10355	17.2
435.43497	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	543.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
57.25003	0.1
63.78542	0.1
64.33205	0.1
67.05501	0.2
69.03388	0.1
79.05473	0.3
81.07046	0.3
91.05445	1.0
94.04172	1.2
95.04961	0.3
97.06532	0.2
103.05457	0.9
105.07047	0.2
107.04955	0.7
112.66656	0.1
119.04933	0.7
121.82616	0.1
122.03641	4.3
131.04924	1.8
131.08516	0.2
133.10094	0.2
134.92174	0.1
135.04390	0.2
137.05965	100.0
138.06299	0.6
151.07544	0.3
152.28381	0.2
159.08034	0.1
161.05945	0.2
163.07559	2.1
177.09065	0.3
181.08575	2.1
539.47778	0.2
542.26233	1.0
543.26880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67200	0.7
62.80816	0.9
63.54119	0.8
67.05482	1.9
73.20603	0.8
79.05456	1.0
79.24001	0.8
81.03425	1.1
81.07034	1.9
82.22003	1.0
84.91354	0.9
91.05477	6.8
94.04162	2.1
97.06509	1.5
103.05454	11.3
105.07008	5.2
107.04995	3.4
107.08553	1.2
109.06507	1.9
115.05451	4.0
117.06989	4.9
119.04945	1.3
119.08616	1.4
121.06483	2.0
122.03626	6.7
123.08046	4.4
129.06982	1.3
131.04900	18.9
131.08545	1.3
133.06502	2.2
135.04407	1.1
135.08017	1.5
137.05954	100.0
138.06210	1.2
141.06978	2.1
146.03665	1.1
147.04404	1.3
147.08043	1.6
147.27013	1.0
151.07516	11.3
159.08034	1.0
160.05136	4.0
161.05948	13.5
162.06706	1.1
163.07515	29.1
169.06450	7.3
175.07516	22.0
177.09074	68.7
179.54277	0.9
183.07918	1.0
189.05389	1.1
193.08583	7.0
195.08003	1.2
201.09006	3.9
205.10025	1.8
207.08041	1.2
218.51416	1.0
219.10143	4.5
224.08156	1.4
233.09557	7.1
235.07584	1.7
250.09911	2.1
261.09052	4.5
265.08578	2.1
265.12228	4.4
267.10080	2.2
282.08810	1.2
293.11594	4.6
296.10510	1.2
299.12726	8.6
325.14294	33.2
406.17880	1.3
467.36133	1.0
543.25555	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	543.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98884	0.4
55.05501	0.5
62.37008	0.4
64.33162	0.5
70.06606	0.7
72.08154	0.5
79.05469	0.5
79.19276	0.5
79.64839	0.5
81.03412	1.3
85.02888	3.5
86.09679	0.7
91.05437	0.8
92.08659	0.6
93.07015	0.8
97.02864	0.9
103.05406	0.5
105.07018	2.8
107.04933	1.3
109.06493	0.7
117.07005	0.9
122.03661	1.0
123.04424	0.7
127.03954	1.0
131.04886	4.3
132.78334	0.6
133.06474	0.8
135.04445	1.2
137.05960	40.5
138.06293	8.3
147.04395	0.9
151.03970	0.7
151.07584	1.1
159.08072	0.6
161.05992	2.1
163.07552	2.7
165.09099	1.1
175.07527	1.0
176.04541	0.6
176.07961	0.6
177.09114	1.0
181.08652	2.7
185.04062	0.6
187.07603	0.9
189.09033	0.6
204.84947	0.6
212.36880	0.6
215.28723	0.5
220.08211	0.6
235.07924	0.6
250.31546	0.5
256.48495	0.5
273.10342	0.5
309.09296	0.9
345.16956	0.8
347.77798	0.5
451.12283	0.7
535.00281	0.6
543.18292	100.0
544.18262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89864	0.7
54.21269	0.7
56.64840	0.7
68.05068	0.7
69.03402	1.4
70.06573	1.8
72.08131	4.4
82.49026	0.8
84.04495	8.3
84.08130	1.3
85.02887	4.1
97.02863	1.1
100.07566	1.2
108.37527	0.8
112.05064	1.6
127.03918	1.0
138.05539	1.4
173.02907	1.3
183.11267	5.1
184.11531	1.0
200.13893	8.4
204.62450	0.9
245.05067	0.9
291.75241	1.0
303.51639	0.9
309.01398	0.9
363.06696	1.1
381.07898	13.0
457.02051	1.0
522.38159	1.4
543.13165	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	543.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80158	0.2
66.77150	0.3
67.01846	3.2
67.05475	0.3
68.99783	2.2
69.03413	0.6
79.05495	0.6
81.03376	0.5
81.07049	1.2
83.04935	0.4
86.09650	0.4
86.65013	0.3
91.05471	2.6
94.04150	1.7
94.16075	0.3
95.04958	0.5
97.06499	0.6
103.05446	1.4
105.07018	1.2
107.04948	1.6
111.00787	1.4
115.05424	0.4
119.04951	2.3
122.03617	4.7
123.04403	1.4
129.06985	1.3
130.80614	0.3
131.04883	3.7
133.06477	8.0
135.04372	0.5
137.05960	100.0
138.06282	0.3
145.06499	0.5
147.04419	4.0
147.08023	0.5
149.06010	0.6
151.03897	1.5
151.07494	0.6
153.01808	31.4
157.06473	1.2
159.04388	8.4
161.05943	2.0
163.07518	2.3
171.02878	6.4
171.04268	0.7
173.05977	1.5
175.07520	2.1
175.11099	0.3
177.05444	17.2
177.08957	0.3
179.03397	1.9
181.08597	1.8
183.04321	0.7
185.05983	0.4
187.03867	4.7
197.05901	2.6
199.03937	0.5
201.05431	1.2
203.07028	0.3
209.90294	0.3
211.03996	1.0
213.01834	1.6
225.05476	0.6
229.05013	1.6
231.02776	0.7
245.04436	1.3
247.06145	1.2
253.04854	1.6
255.02859	1.7
271.05957	28.0
273.03918	1.1
292.74930	0.3
297.03882	11.5
391.11737	0.7
423.07019	23.5
542.30389	0.6
543.12573	1.6
543.25568	0.3
543.31982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1285
Annotation	Semecarpuflavanone
Peak:m/z	Relative Intensity
53.03904	0.2
55.01835	0.3
62.65376	0.2
67.01820	0.6
67.05443	1.3
68.99777	2.5
79.05442	0.5
81.07005	0.3
89.03890	0.5
91.05463	4.1
92.09338	0.6
95.04910	1.7
103.05437	0.6
105.03284	0.4
105.06970	1.6
107.04929	0.4
111.04405	0.7
115.05418	2.2
117.06992	0.6
119.04918	4.5
121.02074	0.5
121.02850	8.8
123.04406	18.4
127.03917	0.3
131.04887	2.7
133.06468	0.6
137.02235	0.3
137.05972	2.4
138.06291	0.4
141.06953	0.4
141.96855	0.3
143.04890	0.5
145.02835	3.2
145.06413	0.6
147.04344	0.5
151.02731	0.5
151.03882	10.2
153.01810	5.8
153.05405	0.5
155.03349	0.6
155.04871	1.5
157.06458	0.4
159.04366	0.3
161.05917	0.3
163.03825	2.0
165.01784	0.6
165.09044	0.5
171.02917	0.5
171.04285	2.2
173.05940	1.0
177.09030	0.3
179.03365	36.6
181.04918	0.5
183.02901	1.0
183.04401	1.0
187.03806	1.1
189.01723	0.6
189.05336	0.4
197.06020	0.3
198.48753	0.3
199.03722	0.3
201.05428	1.9
205.04852	1.3
209.05890	0.4
211.03896	2.6
213.05373	1.2
215.03391	0.4
219.06540	0.4
229.04897	10.7
237.05428	0.7
239.03340	31.9
247.05798	0.9
254.05746	0.5
255.06425	1.4
257.04367	4.4
271.05887	1.3
283.05927	4.4
301.08517	0.6
305.08075	1.9
307.05930	1.7
308.25507	0.3
319.09610	4.8
321.07629	0.3
329.08023	1.3
333.07483	1.1
335.09067	0.6
345.07504	10.7
346.08041	1.3
347.09082	100.0
348.09460	1.2
357.07495	48.3
358.08047	1.1
359.09268	0.4
364.09146	0.4
371.09653	0.4
373.10651	3.1
375.08557	3.6
391.10428	0.4
483.10641	0.5
525.11707	27.7
543.12793	25.6
543.21356	0.5
544.12848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1283
Annotation	Neochamaejasmin B
Peak:m/z	Relative Intensity
55.01851	0.6
59.46368	0.3
67.01509	0.8
67.01855	21.4
67.05496	0.4
68.99775	22.6
69.03386	1.9
71.01350	0.5
79.01822	0.6
81.03384	1.9
81.07024	0.6
83.01323	0.8
91.05465	6.6
95.01321	0.5
95.04937	2.4
97.02870	2.8
103.05430	0.7
105.07005	2.3
107.04955	3.9
111.00796	3.9
111.04388	1.0
117.06950	0.7
119.04923	18.0
120.05685	3.1
121.06487	5.0
123.04420	10.9
125.02334	2.0
127.03878	0.9
129.01790	1.7
131.04893	2.5
133.06371	0.5
137.02321	0.6
137.05899	0.7
139.00237	17.3
141.07059	0.6
145.06479	0.5
147.04393	39.3
148.04825	0.5
150.65051	0.5
151.03906	5.9
153.01810	100.0
155.04843	0.8
157.01305	2.3
157.06476	0.7
158.37706	0.5
159.04460	0.6
161.05904	0.5
166.02516	0.9
166.99706	3.3
169.01303	0.9
169.06438	0.7
171.02858	50.0
173.05896	1.8
179.03366	15.5
179.04845	0.8
185.00786	20.9
187.03952	0.6
189.05464	0.5
192.34267	0.5
193.07614	0.4
197.05942	1.9
201.05380	1.0
215.07109	0.6
224.64059	0.4
225.05472	0.8
229.04979	3.0
243.06439	1.1
245.04404	5.4
253.04999	2.6
254.05461	0.8
255.06396	0.5
257.04382	1.8
269.04370	3.9
271.05957	82.3
272.06335	0.7
283.05972	4.0
284.06329	4.4
285.06491	2.3
287.05429	0.7
289.06961	4.5
297.03958	8.3
297.07199	0.9
311.05499	0.9
312.05710	3.6
313.05969	1.9
338.03860	1.0
339.04251	0.6
341.02539	0.5
356.04880	0.8
357.04977	0.5
365.10080	2.4
391.11682	38.5
417.09570	2.1
421.05594	0.7
422.05814	2.5
423.06937	21.0
507.94324	0.4
542.11304	3.8
543.12695	70.6
543.27576	2.8
543.38983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1284
Annotation	Semecarpuflavanone
Peak:m/z	Relative Intensity
55.01859	0.4
62.56342	0.3
65.23080	0.3
67.01832	0.4
67.05470	1.4
68.99792	3.1
69.03403	0.6
76.56197	0.3
81.07023	0.4
91.05457	4.3
93.07017	0.4
95.04913	1.8
100.14660	0.3
103.05399	0.4
105.03350	0.4
105.06989	0.7
107.04945	0.4
108.75700	0.3
109.49522	0.3
111.04383	1.7
115.05431	2.9
117.06955	0.5
119.04927	4.3
121.02060	0.4
121.02850	8.5
123.04402	19.4
127.03902	0.3
129.06982	0.5
131.04903	3.0
133.06418	0.4
133.16597	0.3
137.02350	0.4
137.05923	1.9
143.04869	0.6
145.02866	4.1
145.06438	0.4
147.04404	0.4
151.03896	8.7
153.01839	4.9
155.03415	0.6
155.04871	2.1
159.04340	0.7
160.11076	0.3
161.05923	0.5
163.02631	0.3
163.03891	2.9
165.01826	0.7
165.09033	0.6
168.63951	0.3
171.02937	0.4
171.04358	2.4
173.05942	0.5
179.03368	40.6
183.02829	1.5
183.04378	1.9
187.03841	1.4
189.01869	0.4
189.05484	0.5
195.04276	0.3
201.05438	1.5
205.04900	1.3
211.03847	2.5
213.05420	2.0
215.03271	0.5
227.03334	0.3
229.04912	12.8
229.29872	0.4
237.05385	1.4
239.03352	32.3
241.04797	0.4
243.15260	0.3
247.05873	0.4
248.88672	0.3
253.04936	0.4
254.05701	1.3
255.06435	0.7
257.04440	3.7
271.05786	0.5
273.09341	0.3
283.05896	4.0
289.08606	0.4
305.07935	1.4
307.05923	1.9
319.09579	4.4
321.07584	0.6
329.07990	0.5
333.07620	0.7
335.09131	1.2
345.07535	9.8
346.08218	0.6
347.09091	100.0
348.09354	0.7
357.07510	42.6
358.08038	0.6
359.08575	0.4
371.09128	0.6
373.10654	3.5
375.08716	3.3
423.07727	0.3
423.32425	0.3
507.10544	0.6
525.11719	25.5
543.12775	22.8
543.25250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1283
Annotation	Neochamaejasmin B
Peak:m/z	Relative Intensity
50.87266	0.3
67.01855	17.6
67.05463	0.7
68.99776	20.9
69.03409	1.1
73.74434	0.4
79.01853	0.5
81.03387	2.8
82.72101	0.5
83.01320	0.9
84.65660	0.4
85.14899	0.4
91.05461	7.7
95.04930	1.0
97.02859	2.5
103.05447	0.8
104.06290	0.8
105.07008	2.1
107.04940	3.3
111.00804	3.7
119.04921	14.8
120.05690	2.2
121.02864	0.6
121.06503	4.6
123.04411	11.1
125.02336	2.4
125.76083	0.5
127.03888	0.8
129.01811	1.2
131.04901	2.3
133.04965	0.5
139.00252	15.4
141.06960	0.5
145.06494	0.7
147.04396	36.2
151.03880	4.5
153.01811	100.0
157.01352	1.8
157.06490	0.8
161.05963	0.6
166.99739	4.5
169.01279	1.1
171.02864	42.6
173.05864	0.6
179.03363	16.8
185.00783	17.4
189.05414	0.5
197.05933	0.9
201.05412	1.1
215.07140	0.7
225.05405	1.0
229.04961	3.7
245.04393	5.3
253.04929	1.9
257.04428	0.8
269.04449	3.0
271.05954	77.8
272.06360	0.8
289.06976	3.5
297.03906	9.8
365.10202	2.8
391.11676	39.3
417.09622	2.5
423.07050	18.5
501.11761	0.9
543.12769	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1281
Annotation	Daphnodorin E
Peak:m/z	Relative Intensity
67.01849	8.2
68.99455	0.5
68.99768	7.0
81.03381	0.9
87.58488	0.4
88.91892	0.5
91.05447	2.4
92.09332	1.1
92.63638	0.6
97.02858	0.9
103.05425	0.9
105.06989	0.7
107.04915	2.6
107.37344	0.5
111.00766	4.3
119.04896	4.2
121.02840	3.5
123.04433	5.8
129.06970	2.9
131.04890	4.7
133.06470	22.7
137.05859	0.6
145.06451	2.5
147.04376	10.2
147.08006	3.6
149.05913	0.6
150.64172	0.5
151.03889	2.9
151.07542	0.8
153.01805	100.0
155.04922	0.8
157.06459	2.5
159.04379	34.4
161.05949	4.9
169.06488	1.0
171.02866	13.9
171.04399	2.8
173.05943	5.5
175.07498	4.0
176.82234	0.6
177.05431	43.6
179.03369	8.6
183.04425	3.7
185.02344	0.9
185.05968	1.2
187.03860	19.1
195.04353	0.7
197.05928	7.0
198.03995	0.5
199.03909	1.2
201.05376	4.4
203.03340	0.7
203.06992	0.9
205.04984	1.0
211.03859	2.1
213.01823	4.0
225.05392	1.0
227.03352	2.9
229.04872	4.7
231.02856	2.9
239.03378	3.4
243.06418	0.8
245.04381	4.0
247.06024	0.8
253.04944	4.2
255.02794	7.7
257.04343	1.0
271.05939	86.6
273.03873	2.4
279.06845	0.5
280.40216	0.6
295.06195	1.0
297.03888	34.8
307.06055	1.0
319.10385	0.7
319.68646	0.5
321.07648	2.0
329.07837	0.6
335.09027	5.0
345.07574	1.1
347.09094	20.4
347.13162	0.9
349.10809	0.7
351.06052	0.6
357.07474	6.1
363.08527	2.6
364.09180	0.8
373.10669	5.2
375.08719	3.0
390.10623	1.2
391.11737	3.9
417.09995	0.6
423.07007	79.1
542.11823	1.9
543.12726	31.0
552.78943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57684	0.2
52.05958	0.2
52.94201	0.2
55.01860	1.0
57.03428	0.3
61.02912	0.3
69.03413	1.1
78.65301	0.3
79.05473	1.6
81.03400	0.4
85.02898	3.9
91.05456	1.1
93.05882	0.2
94.04132	0.3
95.04945	0.3
97.02862	0.5
99.27720	0.2
103.05444	1.6
105.07011	18.7
107.04935	0.4
109.02826	0.4
109.06475	1.3
122.03599	2.4
124.05185	0.4
127.03911	0.3
131.04903	0.6
133.06468	20.4
135.04402	0.3
137.05956	100.0
138.06331	0.5
145.04915	0.3
151.07523	1.5
163.07512	1.1
165.09079	50.6
166.09439	0.3
175.07513	0.3
181.08559	4.7
202.76767	0.3
248.53821	0.3
296.81299	0.3
345.16879	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03415	1.1
61.02903	0.7
69.03416	3.0
70.06568	1.6
72.08144	1.0
72.10332	0.8
72.69971	0.5
78.44328	0.6
81.03391	1.5
85.02893	10.3
86.09695	0.9
87.04443	1.1
91.05464	2.9
93.07030	1.3
97.02856	3.0
97.06499	0.9
97.78818	0.7
98.97518	1.1
99.04482	1.2
103.05440	11.6
105.06994	1.2
107.04938	1.6
107.08551	0.8
109.02856	1.1
117.06976	3.0
119.08536	1.3
121.06482	4.5
122.03588	0.8
127.03861	2.9
128.06184	1.1
131.04901	35.3
131.08582	0.9
133.10101	0.9
137.05956	35.7
143.08556	4.5
145.04964	1.0
145.06390	1.2
145.10037	0.7
147.04451	0.9
149.05905	0.8
151.07539	1.0
161.06026	1.0
162.06761	0.9
163.03926	1.1
163.07507	54.9
165.09091	0.7
171.08017	10.8
175.07449	3.9
175.14758	1.4
177.09076	100.0
189.09114	2.9
194.84232	0.7
203.10625	19.3
207.08202	0.7
219.10159	2.5
220.10484	1.4
221.11711	24.2
239.07246	0.9
299.12881	0.8
309.11060	0.9
327.15903	2.5
345.16809	3.5
475.57007	0.8
542.19397	0.9
543.24182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81509	0.1
55.01842	0.1
57.03427	0.3
59.75742	0.1
61.02908	0.5
62.48598	0.1
65.03962	0.1
69.03415	0.9
71.04961	0.1
73.02895	0.1
79.05486	0.3
80.15987	0.1
81.03396	0.5
81.07024	0.1
85.02893	3.1
87.04488	0.1
91.05457	0.5
92.08695	0.2
94.04156	0.5
97.02856	0.9
99.04456	0.1
99.24049	0.1
103.05441	0.3
107.04939	0.3
109.02859	0.4
109.06506	0.1
110.29497	0.1
119.04908	0.5
122.03622	2.7
127.03896	0.4
131.04900	1.4
133.06419	0.1
135.04414	0.4
137.05959	100.0
138.06325	0.7
145.04990	0.1
151.07518	0.8
161.05957	0.1
163.07510	2.3
174.06686	0.1
175.07611	0.1
177.09068	2.0
181.08560	7.9
189.09039	0.1
196.99986	0.1
221.11684	0.3
377.19269	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	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.1
51.02359	0.1
51.69004	0.1
53.03925	0.1
54.27153	0.1
55.01860	0.6
57.03413	0.5
57.12819	0.1
60.04533	0.1
61.02912	0.6
66.04705	0.1
69.03416	1.2
71.04959	0.1
72.37383	0.1
73.02895	0.1
73.60093	0.1
76.58865	0.1
77.03909	0.1
77.74036	0.1
79.05475	1.0
81.03404	0.7
81.07041	0.5
85.02886	4.6
87.04471	0.1
89.37367	0.1
91.03906	0.1
91.05458	1.8
93.07012	0.3
94.04161	1.7
95.04927	0.4
95.08559	0.1
97.02864	1.5
99.04441	0.2
103.05447	6.5
105.07011	3.8
107.04937	1.2
108.05695	0.1
109.02847	0.5
109.06518	1.2
111.04454	0.1
115.05421	0.7
117.06995	1.1
119.04911	0.5
119.08539	0.1
120.05663	0.1
121.06486	2.4
122.03619	5.2
123.08082	0.7
125.05885	0.1
127.03896	0.4
128.06190	0.9
129.06985	0.6
131.04904	9.3
131.08574	0.3
132.05659	0.1
133.06462	15.6
134.06926	0.1
135.04402	0.1
135.08026	6.0
136.05138	0.2
137.05952	100.0
138.06311	0.6
141.84364	0.1
143.04910	0.6
143.08530	1.7
144.05627	0.1
145.04984	0.4
145.06458	4.2
147.04372	0.1
147.07993	0.9
149.05991	0.8
151.07518	5.7
155.06038	0.1
155.07367	0.1
157.06451	1.5
159.08049	0.5
160.05174	0.4
161.05927	0.3
162.06744	0.3
163.07504	23.6
165.09076	0.5
171.07997	2.2
173.05952	0.1
174.06700	1.4
175.07513	2.3
177.09065	0.9
187.07497	0.7
188.08319	1.1
189.09061	2.3
191.10548	0.1
195.07927	0.1
201.08951	0.1
203.10631	3.8
207.08029	0.4
207.09959	0.2
217.10126	0.3
220.08733	0.3
221.06137	0.1
221.11658	0.5
235.11160	0.7
245.09602	0.5
247.07494	0.1
248.08299	0.4
263.10596	1.6
264.11066	0.1
267.13654	0.2
295.13226	8.7
296.13486	0.1
312.13477	0.1
327.15836	16.4
328.16199	0.1
345.16888	1.8
380.55215	0.1
433.31479	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	542.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75250	0.4
52.78683	0.4
53.66536	0.4
55.01867	0.5
61.04316	0.5
74.48869	0.5
79.05459	2.9
81.03382	0.7
81.07023	0.6
91.05463	4.7
92.08640	1.2
93.07029	1.2
94.04150	0.8
95.04938	2.7
96.04848	0.5
97.06491	0.7
102.04632	1.1
103.05450	30.4
105.06997	5.4
107.04947	1.3
107.08590	0.5
115.05400	0.7
117.06982	1.1
119.04936	3.1
119.08499	1.2
121.06496	1.3
122.03638	2.2
124.24902	0.6
128.06189	0.8
130.04114	3.5
131.04903	100.0
131.08543	1.0
133.02779	1.1
133.06470	3.6
135.04391	41.1
135.08006	0.8
137.05952	45.6
143.08568	2.1
145.06470	2.8
146.03575	0.8
147.04379	11.0
147.08009	4.3
149.05951	6.0
149.72922	0.5
150.06735	8.5
151.03839	0.9
151.07547	3.4
153.01804	0.8
153.07025	0.6
159.04375	0.8
159.08011	1.4
161.05948	51.5
161.09573	1.3
162.06729	18.5
163.07507	50.6
171.02928	0.7
171.08031	2.6
173.05988	0.8
174.91830	0.6
175.07535	2.7
177.05432	2.8
177.09039	0.7
179.07008	3.0
179.08528	0.7
187.07497	8.0
189.09077	4.4
199.07542	4.2
205.08534	10.5
205.10240	0.7
207.08240	0.8
207.10095	1.3
217.08650	0.8
225.09084	0.8
231.10231	1.3
233.09500	1.0
235.07524	1.0
237.09056	0.6
243.10275	0.8
253.08626	0.8
263.10562	0.7
265.08499	0.8
269.08191	0.6
283.09671	1.2
285.11200	1.1
291.10056	1.2
295.13171	0.7
297.11169	1.0
299.09027	1.0
307.09552	1.1
309.11124	0.9
311.12723	3.5
323.12738	16.0
327.12296	0.9
341.13794	1.1
353.13760	4.7
367.15378	4.8
381.70255	0.6
385.16205	4.1
419.62128	0.6
541.26074	0.9
542.25970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43945	0.9
55.01861	5.7
55.05507	46.4
57.03431	4.5
57.07064	7.6
59.67304	1.0
60.99246	1.0
67.05495	61.5
67.05853	2.5
69.03414	1.3
69.06264	0.9
69.07055	44.6
71.04980	5.9
71.08615	1.5
73.06554	1.3
78.24453	1.2
79.05475	34.0
81.07043	87.4
81.54633	1.0
83.04973	6.2
83.08601	29.2
85.06522	4.3
91.05457	13.9
92.09406	2.1
93.07027	53.1
95.04945	2.0
95.08588	100.0
97.06496	14.4
97.10151	13.3
105.07024	12.6
107.08586	25.6
109.10146	40.6
109.10799	1.0
111.08071	7.1
111.11703	4.9
117.07023	2.2
119.08549	11.9
120.74475	1.3
121.10127	36.9
122.30054	1.1
123.08015	1.2
123.11687	13.7
131.08530	9.2
133.10117	13.3
135.11699	17.0
137.09586	1.5
137.13237	7.1
139.11169	6.9
145.10094	10.0
147.11708	5.6
149.13304	4.8
151.11171	2.7
153.61177	1.2
159.11679	6.1
167.14244	1.6
167.85382	1.1
173.13199	1.7
175.14783	1.5
183.13675	1.4
187.13170	1.3
191.17941	1.2
205.19501	1.3
210.56691	1.1
215.17941	7.7
233.18999	22.6
237.22086	8.9
251.20010	61.6
269.21054	38.0
420.02301	1.2
469.40433	5.2
487.41351	20.8
505.42450	30.6
523.43604	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	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86282	0.1
53.03967	0.1
64.85518	0.1
69.03422	0.3
79.05474	0.9
85.02903	0.6
91.05457	0.9
93.07024	0.8
95.61839	0.2
98.97595	0.2
102.19485	0.2
103.05450	5.1
107.04940	2.5
116.00372	0.2
119.04925	1.2
120.08082	100.0
121.08408	0.2
131.04910	3.0
135.04358	0.3
137.05940	1.6
147.04382	2.2
149.05972	1.8
166.08603	25.3
167.06995	0.3
170.51067	0.2
179.06996	1.3
354.76556	0.2
535.18677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29662	3.1
54.81666	3.1
55.05506	34.9
57.07078	52.6
58.06574	5.0
67.05484	45.0
69.07051	25.3
70.06584	37.0
70.06906	3.0
70.77996	3.6
71.04978	100.0
71.08608	19.8
71.68344	3.5
79.05476	22.3
81.07041	92.8
83.08175	3.3
83.08601	31.9
85.06538	6.5
85.10155	6.9
88.07609	27.0
89.06017	27.0
91.05453	7.4
92.96458	4.6
93.07031	28.0
95.08595	55.8
97.06529	6.3
97.10135	17.2
102.09166	23.5
104.28338	4.4
104.58192	4.3
105.06973	5.6
107.08584	21.3
109.10155	29.5
111.08040	3.9
113.58251	3.6
119.08569	7.2
121.10107	26.5
123.11684	19.4
133.08592	4.7
133.10143	8.7
135.11641	15.2
135.63184	4.2
137.41428	3.9
156.04570	3.9
215.17871	6.0
233.18988	8.8
251.20039	9.1
256.26321	47.8
257.26639	20.4
269.21036	9.2
283.26282	25.5
284.26663	8.3
284.29440	13.7
285.29797	6.7
311.29401	55.9
312.29773	20.3
327.19873	4.9
366.68051	4.4
487.41431	20.9
505.42191	14.7
523.43329	4.2
540.53400	52.5
541.53882	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94958	0.5
53.03941	1.4
55.01865	1.0
55.05505	17.8
57.03411	1.0
57.07067	11.9
59.22132	0.5
67.05490	9.6
69.07055	25.7
71.04980	1.2
71.08617	6.4
73.06505	0.6
79.05474	5.5
81.07045	14.5
83.04977	2.9
83.08613	15.4
85.10160	1.4
86.09715	0.7
88.59190	0.7
91.05456	6.1
93.07023	10.9
95.04340	1.5
95.04949	39.3
95.08576	9.4
97.06492	5.6
97.10162	8.6
104.10773	1.5
105.06999	1.4
106.86012	0.6
107.04943	21.9
107.08579	8.3
109.06464	0.8
109.10113	4.4
111.08063	3.1
111.11683	0.8
111.85414	0.7
115.07629	0.7
119.04921	44.9
121.02852	0.7
121.10120	6.9
123.04410	71.0
123.11697	1.3
125.09591	1.3
126.22575	0.6
129.09027	0.7
133.06488	3.0
135.11687	5.9
137.05956	8.2
137.13242	0.8
139.11157	1.0
141.05440	10.6
145.06441	0.7
147.04393	43.1
147.22263	0.6
149.05971	0.6
149.13260	3.7
152.06174	0.7
153.05453	5.8
153.06886	0.8
153.12729	0.8
155.08627	0.6
157.06471	0.9
161.05983	3.0
163.03883	2.5
163.14781	2.9
165.05455	12.3
170.07275	1.1
171.04399	2.9
178.02661	1.0
181.04982	1.4
181.06413	8.6
182.07242	3.1
183.08029	1.1
184.05145	3.1
185.09483	0.7
193.04932	40.2
197.06035	1.0
198.06734	3.0
209.05991	2.9
210.06772	3.4
212.04700	5.3
213.09061	3.1
219.21083	5.9
223.07452	0.6
224.08295	1.2
226.06265	5.9
227.06992	20.3
232.18274	0.6
237.05367	4.9
237.22098	5.3
239.06964	0.6
241.08571	10.0
251.06981	1.0
254.05672	18.6
255.23151	2.0
259.09625	3.8
269.08029	100.0
287.09097	19.5
300.67798	0.7
311.29269	0.9
373.27377	0.8
447.27130	3.1
534.59143	0.6
542.50836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3134
Annotation	5-Ketomilbemycin A4
Peak:m/z	Relative Intensity
50.96957	1.1
55.05501	1.9
57.07055	6.1
67.05493	2.8
69.07048	1.5
70.06593	1.7
71.08617	1.6
79.05465	2.5
81.07037	3.3
88.07574	2.3
91.05429	1.7
92.49518	1.3
93.07050	2.6
95.04964	3.2
95.08578	5.6
102.09214	2.3
105.07050	2.0
109.10153	1.9
119.08543	2.3
121.10149	1.5
162.96584	1.5
165.12695	1.8
175.96732	2.0
249.10930	18.0
256.26321	8.7
277.21634	1.8
295.22687	6.1
311.29428	3.5
315.19351	2.2
540.53479	7.9
541.31256	100.0
541.53137	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	541.2615
Annotation	Isovouacapenol E
Peak:m/z	Relative Intensity
53.67360	0.3
77.32175	0.3
80.01785	0.3
91.05479	0.5
99.79781	0.4
106.77129	0.4
131.04929	0.6
137.05983	4.1
151.07541	0.5
161.06012	0.5
163.07545	0.6
170.36012	0.3
177.09065	1.3
185.04195	1.8
190.14630	0.4
201.03691	1.6
210.83609	0.4
212.55920	0.4
259.07767	0.5
275.07480	0.5
331.09933	5.3
361.55652	0.4
379.20859	3.8
399.16293	0.9
413.17746	5.3
415.19214	1.8
471.18393	2.2
541.26117	100.0
542.26569	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	541.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99512	0.3
72.87687	0.4
76.71216	0.4
78.55536	0.4
81.03413	0.4
81.07026	0.5
92.08766	0.5
103.05468	0.9
105.07032	0.7
107.97843	0.4
118.08504	0.4
131.04890	2.2
133.06519	0.4
137.05963	3.3
151.07558	0.7
161.05975	0.8
161.21242	0.4
163.07495	0.5
165.09029	0.8
177.09093	0.5
177.65320	0.5
185.04211	0.4
203.05246	1.7
259.07974	1.8
274.64673	0.5
305.17096	0.7
331.10037	0.6
379.20795	4.2
404.16205	0.7
451.22321	0.4
522.73071	0.4
523.25110	0.8
541.26086	100.0
542.26135	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42308	0.4
55.01853	0.8
55.05488	0.5
56.06252	0.5
64.21230	0.6
69.03398	0.9
72.08128	0.6
76.56635	0.5
79.03436	0.6
79.05457	1.3
81.07051	1.4
85.02892	1.2
85.06525	0.8
86.09692	0.6
91.05468	5.7
93.07006	1.0
94.04175	2.6
94.28300	0.6
95.04929	1.0
95.08579	0.7
97.02896	0.7
100.11237	1.0
103.05445	4.1
105.06998	3.3
107.04954	1.2
107.08556	0.9
109.02870	0.6
109.06547	1.0
111.04395	0.7
111.39805	0.6
115.05441	1.2
117.06987	1.1
119.04948	4.8
121.06469	3.0
122.03628	8.6
128.06194	0.8
129.06978	0.7
131.04933	5.8
133.06503	3.1
135.04384	2.6
135.08009	1.1
137.05960	100.0
138.06332	1.0
141.06947	0.9
143.04893	0.7
143.08554	0.9
145.06487	2.3
147.04388	2.8
149.05949	1.3
151.03934	2.2
151.07526	11.4
151.65080	0.6
157.06480	1.5
158.07281	0.7
159.08102	2.5
160.05183	0.7
161.05936	5.9
162.06705	0.7
163.07524	8.5
165.06978	1.3
165.09091	2.3
167.08531	1.0
171.08031	1.1
174.06723	3.3
175.07512	12.1
177.09085	2.4
182.15305	0.7
182.97812	0.6
186.06659	0.9
187.07558	2.7
189.09081	5.4
191.06995	0.8
194.07294	1.1
194.92754	0.7
195.08064	2.8
199.07396	0.8
201.09082	2.3
203.10675	1.4
210.14922	1.0
213.08974	1.0
219.10106	3.8
221.05957	0.9
222.06697	0.9
223.07574	1.3
225.09087	1.1
227.10632	3.8
237.09090	0.9
253.08549	1.2
255.10100	2.9
267.10092	2.6
285.11340	0.8
287.12726	5.5
295.09558	0.6
299.12823	0.9
311.12708	1.0
313.14291	1.2
349.14304	0.7
350.63318	0.7
351.15915	1.3
369.16769	0.9
372.24316	0.7
379.11978	2.5
381.16962	0.7
420.22641	1.0
475.20953	2.8
493.22086	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2436
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
51.75103	0.9
54.23323	0.8
54.91651	0.8
55.01851	1.1
62.96292	0.9
63.37663	1.0
67.05503	1.9
69.03406	1.8
69.07089	1.4
79.05498	2.2
81.03395	1.5
81.07031	2.6
85.02894	4.2
91.05477	8.6
92.08544	2.4
93.07010	1.7
94.89790	1.0
95.04964	1.6
97.02873	1.6
99.04456	1.5
103.03915	1.3
103.05438	5.8
105.07002	6.7
107.04924	5.7
109.02829	1.6
115.05382	1.6
117.07027	1.6
119.04914	7.1
120.68735	1.2
121.06487	1.4
122.03637	4.4
127.03864	2.5
131.04909	5.7
133.06497	7.5
135.04402	6.0
135.07982	1.7
137.05962	100.0
138.06300	7.7
145.06458	1.4
147.04370	9.8
147.08017	1.5
149.05942	5.1
150.06586	1.5
151.03899	4.8
151.07512	6.3
153.05475	2.1
157.06500	1.5
159.08072	1.7
161.05948	39.1
161.07179	2.3
161.09615	1.9
163.07529	9.4
165.06985	6.5
165.09114	2.3
166.07735	1.3
174.06688	1.9
175.07512	7.2
177.09106	11.0
178.09375	2.6
179.07022	2.3
182.07185	1.3
187.07521	10.3
189.09058	8.1
191.07042	2.2
191.08571	1.9
193.06442	2.2
194.07231	8.6
195.07967	1.3
205.06642	2.8
205.08604	8.5
209.09633	1.6
210.06757	1.8
211.07574	2.2
217.08569	7.1
219.08052	4.2
219.10144	1.7
221.05983	7.0
222.06763	4.8
224.08411	1.3
225.09067	2.6
231.08064	1.3
236.08316	1.1
237.09038	5.3
239.04446	1.1
239.06870	1.6
250.06198	1.6
251.10672	2.4
253.08568	4.6
254.09557	1.3
265.08588	15.6
267.06601	1.3
267.10065	2.6
272.10394	1.6
278.64078	1.5
279.10153	4.9
285.11148	12.1
288.11142	1.3
293.11496	2.0
297.11203	12.6
311.12845	10.9
313.14468	1.7
315.12234	16.3
325.14243	1.2
341.13727	4.4
345.14508	1.8
378.18112	1.9
394.81070	1.3
404.15939	11.0
436.56552	1.5
541.24457	5.3
543.51855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
57.03408	0.6
63.00644	0.5
67.05503	0.5
69.03413	0.9
70.06577	0.7
72.08150	1.1
76.56144	0.6
79.05473	1.2
81.07033	1.2
85.02879	2.2
91.05468	6.5
93.07041	0.6
94.04174	3.3
95.04942	1.3
97.02854	0.9
103.05435	4.8
105.07015	2.9
107.04910	2.3
109.02790	0.7
109.06482	1.0
115.05439	1.0
117.06957	0.9
119.04916	4.3
119.08578	1.3
121.06477	1.3
122.03637	7.7
123.08060	0.6
127.03908	0.5
129.06973	2.8
131.04918	7.6
131.08522	1.0
133.06429	3.5
135.04385	2.3
135.08008	0.7
136.05167	0.9
137.05956	100.0
138.06238	0.7
140.03914	0.6
141.06987	0.8
143.04901	0.7
143.08540	0.9
145.06488	2.9
147.04381	2.5
147.08078	0.8
149.05949	2.4
151.03903	2.6
151.07527	12.6
157.06491	1.0
159.08011	0.9
160.05171	0.8
161.05936	7.4
162.15724	0.5
163.07500	8.9
165.06961	0.9
167.07074	0.6
167.08522	1.1
169.06456	1.2
171.08002	0.9
174.06754	3.9
175.07506	13.4
177.09061	2.2
181.06488	0.6
187.07536	3.3
188.08217	0.8
189.09097	5.9
193.06435	0.8
194.07220	0.9
195.08020	2.4
199.07530	0.6
201.09019	3.6
203.10623	2.3
210.06697	0.6
212.08337	0.7
213.08975	1.1
217.09856	0.6
219.08017	0.9
219.10095	6.0
221.05959	1.3
221.11505	0.7
223.07524	1.0
225.09050	1.0
227.10626	3.2
239.10654	1.0
251.10680	0.9
253.08403	2.1
255.10146	1.3
257.11758	0.6
265.08533	1.1
267.10132	1.2
285.11206	1.3
287.12820	6.7
313.14334	0.8
315.12143	0.5
337.14185	0.7
351.15924	3.2
369.16830	0.8
381.17007	1.1
415.19016	0.7
420.23007	1.3
443.18326	0.8
473.31247	0.7
475.21118	2.9
493.21893	3.4
523.25391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1128
Annotation	2,3-Dihydroochnaflavone
Peak:m/z	Relative Intensity
54.08316	1.2
59.74166	1.1
60.06211	1.0
67.01853	1.4
67.05489	1.3
68.99782	5.4
72.51600	1.2
78.79048	1.2
81.07055	1.9
91.05485	2.6
95.04943	2.0
107.04958	9.8
111.04391	2.4
119.04920	6.9
121.02835	24.2
123.04401	24.8
131.04900	2.8
137.05992	1.4
145.02847	3.1
147.04440	2.4
151.03896	16.5
153.01796	16.3
163.03908	6.2
171.04366	3.3
179.03365	61.8
185.02298	1.7
187.03842	2.1
189.01744	1.6
189.05399	1.5
198.03038	1.6
199.03975	5.4
216.04221	2.0
227.03409	1.9
241.04918	2.1
245.04449	8.0
255.02885	10.4
271.05893	1.9
305.08081	6.8
307.06052	2.3
308.06680	2.1
309.07562	18.8
321.07623	1.9
333.07730	5.1
334.08392	9.0
335.09045	2.7
345.07730	5.2
349.56705	1.3
361.06863	13.4
362.07626	10.9
363.08551	100.0
373.06912	23.1
373.11264	1.7
387.54504	1.3
389.10196	12.3
389.61615	1.4
541.11218	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1126
Annotation	2,3-Dihydro-3',3'''-biapigenin
Peak:m/z	Relative Intensity
65.03928	0.5
67.01855	18.7
68.99780	10.1
69.03408	0.9
71.96851	0.5
78.90331	0.4
81.03393	0.7
83.01328	0.6
85.02885	0.6
91.05475	0.7
97.02875	2.4
111.00810	2.1
111.04455	0.8
111.88858	0.5
119.04973	1.9
121.02846	23.8
121.03758	0.8
123.04382	0.5
125.02338	2.4
127.03914	1.0
128.06268	0.5
129.01869	2.5
129.07028	2.0
133.06470	6.3
145.02870	2.4
147.04428	0.6
153.01817	70.9
157.06509	4.5
159.04384	4.1
163.03885	3.3
169.06474	0.8
171.02861	30.1
173.05957	2.1
177.05487	2.4
179.03436	1.1
183.04448	2.4
185.06006	2.7
187.03949	2.0
197.06006	3.3
201.05441	0.6
211.03909	1.1
223.03859	0.8
225.05409	1.0
229.04953	2.1
242.05650	3.6
245.04417	0.7
253.04832	5.9
255.02972	1.3
262.57108	0.5
270.05112	7.1
271.06055	3.3
279.02850	2.3
297.03992	2.8
318.85260	0.5
329.08231	0.5
345.07648	0.8
347.09158	2.0
363.08661	2.1
370.54285	0.6
371.09082	0.9
373.06979	2.2
375.08768	0.9
389.10138	96.7
390.10562	0.8
415.08035	11.2
534.47168	0.6
541.11230	100.0
542.11560	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	541.1127
Annotation	2,3-Dihydro-3',3'''-biapigenin
Peak:m/z	Relative Intensity
51.63753	0.2
52.66407	0.3
54.81273	0.2
55.01822	0.3
66.33279	0.3
67.01855	15.3
67.02192	0.8
68.99773	10.7
69.03377	0.6
71.36678	0.3
71.42857	0.2
79.01793	0.4
81.03346	1.4
82.00449	0.3
83.01296	0.6
91.05455	2.3
95.01269	0.4
95.04907	0.7
97.02860	2.4
107.04917	0.5
111.00798	2.5
111.01381	0.3
111.04401	0.5
119.04926	9.0
121.02087	0.3
121.02850	6.9
123.00709	0.7
123.04416	8.3
124.01514	1.1
125.02289	1.7
126.28065	0.3
126.64980	0.3
127.03819	1.6
129.01753	1.8
131.04854	1.2
133.06412	0.4
139.00235	8.7
145.02754	1.8
147.04359	1.2
147.23946	0.3
151.02945	0.3
151.03903	4.2
152.01059	0.4
153.01810	53.9
155.32152	0.3
157.01196	0.4
163.03847	2.3
168.00449	1.3
170.02063	2.6
171.02858	27.7
171.04224	1.1
179.03363	10.4
185.00691	1.4
186.01575	0.7
187.03880	1.4
197.05956	0.4
213.05338	0.4
220.89574	0.3
225.05438	0.5
227.03441	1.3
229.04880	0.5
241.04904	1.5
242.05692	6.1
245.04291	1.2
253.04883	1.9
254.03394	0.3
254.05656	2.5
255.02866	2.6
255.06407	0.7
257.04391	34.5
258.05051	0.4
269.04364	5.4
270.05157	16.7
271.05984	4.7
273.03998	1.5
283.06085	0.5
285.03888	6.8
286.04633	11.1
287.05325	0.4
295.06061	0.5
305.07990	0.4
323.05460	2.0
334.08347	0.5
345.07556	1.6
361.06967	1.2
362.07684	0.5
363.08606	11.3
365.06500	1.2
371.09171	0.5
373.06961	4.4
375.08597	0.6
389.10120	74.8
390.10498	0.5
393.06088	3.8
415.08069	4.6
421.05399	7.0
541.11218	100.0
542.11542	1.5
546.56897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45956	0.3
55.05503	1.3
57.07072	2.1
62.50572	0.3
67.05500	1.8
69.07055	0.8
70.06575	1.3
71.08619	0.6
79.05451	1.1
81.07036	2.5
83.08604	0.8
85.36581	0.3
87.84885	0.3
88.07610	1.2
89.03891	7.5
89.06067	0.3
90.15501	0.4
91.05472	0.8
93.07029	1.7
95.04943	0.6
95.08591	0.8
96.96452	0.3
102.09199	0.5
105.07032	0.4
106.04147	0.5
107.38167	0.3
108.79190	0.3
109.10117	0.4
116.12824	0.3
117.03361	31.9
121.06477	0.3
134.03615	2.6
135.04402	3.1
135.56845	0.3
145.02829	86.5
149.05968	13.2
163.03801	0.6
177.05435	100.0
180.06441	0.3
186.05444	1.4
189.46191	0.3
256.26315	2.9
275.20056	0.4
283.26068	0.6
284.29550	0.4
295.22498	0.7
304.71198	0.3
311.29440	2.1
317.12549	0.3
337.27301	0.5
433.25189	0.3
487.38815	0.3
505.31442	6.3
520.55981	0.3
540.53369	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	540.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
57.07064	0.4
62.79308	0.2
63.02346	0.2
67.05499	0.4
67.12263	0.2
69.07059	1.0
69.78745	0.2
78.32028	0.2
79.05477	1.0
81.07049	1.1
83.08601	0.4
89.03893	9.0
91.05459	1.0
92.63728	0.2
93.07035	0.8
95.04945	0.4
95.08589	0.8
97.06513	0.2
97.10155	0.4
103.05452	0.3
106.04158	0.7
107.08620	0.3
109.06495	0.3
109.10108	0.2
117.03360	34.2
118.03711	0.2
119.04933	0.3
121.10126	0.3
124.05199	0.4
134.03601	2.5
135.04387	3.4
137.05956	0.2
143.11435	0.2
145.02829	94.4
146.03175	0.4
149.05960	15.4
162.03116	0.3
163.03911	1.5
172.11665	0.2
177.05434	100.0
178.05725	0.8
186.05437	1.0
251.09109	0.4
256.26227	0.3
295.22430	0.2
311.29083	0.2
329.26682	0.7
453.86935	0.2
505.31552	12.4
506.31543	0.2
540.53357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09023	0.2
55.01854	0.3
55.52803	0.2
57.03410	0.8
60.04486	0.2
61.02929	1.4
64.33331	0.2
69.03405	2.1
70.06580	0.3
70.80126	0.2
71.04961	0.3
71.20352	0.2
73.02878	0.2
79.05466	0.2
81.03368	1.1
85.02896	7.1
88.47285	0.2
91.03953	0.3
91.05449	1.3
92.08701	0.5
97.02870	3.0
99.04443	0.3
103.05454	0.4
105.07075	0.2
107.08590	0.2
109.02853	0.5
109.53584	0.2
115.05418	1.1
117.06962	0.8
127.03860	1.2
128.06163	1.4
129.06981	7.8
131.04921	1.5
131.08546	8.8
133.10143	0.2
135.08028	0.3
135.66092	0.2
137.05954	4.7
141.06981	7.3
143.04916	0.3
143.08566	0.4
144.05676	0.9
145.04898	0.9
145.06429	0.9
146.07236	0.4
148.05135	0.2
149.06020	0.3
151.03918	0.4
151.07530	0.4
157.06471	7.4
158.07262	3.9
159.08031	8.6
160.05122	1.1
161.05888	0.4
161.09579	0.9
163.07454	1.3
163.26550	0.2
169.06451	4.1
170.07253	2.4
171.08081	0.6
173.05974	0.9
173.09712	0.2
174.06726	17.4
175.07501	3.9
177.05432	0.2
177.09061	0.2
180.08624	1.0
183.08096	0.3
186.06746	4.4
187.07491	0.3
188.08292	1.1
189.09076	38.0
191.07040	0.4
191.10661	2.8
201.09085	13.0
203.10594	0.2
207.10120	0.7
211.07555	0.3
219.10135	100.0
220.10486	0.4
237.11171	1.3
253.08452	0.4
271.09558	1.1
295.09714	0.3
313.10812	2.0
314.51270	0.2
325.10602	0.4
331.11548	0.4
343.11795	0.4
346.14056	0.2
498.57364	0.2
559.18213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.5
53.03927	1.1
55.01849	1.2
57.03412	1.1
59.77407	0.2
61.02897	1.8
64.25320	0.2
69.03416	2.9
71.04972	0.5
77.03909	0.6
79.05470	3.5
81.03410	1.2
81.07011	0.4
85.02889	9.9
91.05441	3.2
93.07071	0.4
94.04144	1.5
95.04929	2.4
97.02879	3.3
99.04440	0.4
103.04768	0.5
103.05442	10.5
105.03363	0.7
105.06354	0.4
105.07013	7.5
107.04962	2.6
108.96497	0.2
109.02840	1.1
109.06522	0.5
115.05423	2.0
117.06982	2.2
119.04910	1.7
121.05852	0.3
121.06503	4.3
122.03635	4.9
123.04394	2.0
123.08023	0.7
127.03886	1.3
128.06195	1.8
129.06985	2.0
131.04903	23.8
131.08519	0.3
133.06465	32.7
135.04393	100.0
135.08017	5.4
136.04886	0.3
137.05952	82.4
138.06299	0.7
141.06982	0.4
141.28137	0.3
143.04890	1.9
143.08539	3.6
145.05243	0.4
145.06451	6.3
147.04453	0.9
147.08026	0.5
149.05963	7.0
151.07515	10.4
157.06465	3.4
159.04437	0.3
159.08020	0.3
160.05212	0.7
161.05949	16.1
162.06627	0.5
163.07507	24.1
163.86461	0.3
165.09036	0.6
171.08011	5.2
173.05969	2.9
174.06702	2.4
175.07494	2.9
177.09073	1.5
179.06949	0.4
185.05957	0.6
186.06760	2.0
187.07538	3.0
188.08334	0.6
189.09032	5.3
201.09093	3.4
203.10623	3.6
207.10007	0.5
220.08904	0.5
221.11670	0.3
233.09711	0.4
235.11118	1.7
245.09497	1.0
248.08258	0.4
263.10638	2.3
293.11673	8.2
293.15024	0.3
295.13297	3.5
307.13284	1.5
325.14270	35.6
343.11520	0.6
343.15344	6.9
380.40839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01851	1.8
57.03419	1.0
60.88958	0.3
61.02901	2.1
69.03423	4.4
70.84365	0.3
71.04961	0.5
73.02873	0.6
79.05453	0.5
81.03397	2.8
81.07043	0.7
85.02891	15.0
87.04445	0.5
91.05469	12.6
94.04150	0.9
95.04959	3.5
97.02872	3.3
99.04396	1.4
103.05450	0.8
105.07004	2.3
107.04970	2.9
109.02843	1.6
109.06496	3.1
111.04395	0.5
117.06978	1.0
119.04921	13.1
121.06512	3.4
122.03632	3.0
127.03876	2.0
128.06180	0.9
129.06993	9.0
131.04913	4.8
131.08540	0.7
133.06450	1.7
135.04379	0.4
135.08083	3.2
136.05167	1.7
137.05960	61.6
138.06281	0.7
143.04906	1.0
145.06500	2.9
146.03682	0.4
147.04410	0.8
147.08000	0.4
148.05159	0.7
149.05963	10.2
151.03888	2.5
151.07529	61.8
152.07924	0.7
157.06465	7.7
159.08017	0.4
161.05952	8.1
161.09656	1.8
162.06497	0.4
163.03880	0.7
163.07507	15.9
165.07004	2.4
165.09132	3.7
167.07185	0.8
167.08533	8.0
174.06686	2.9
175.07513	5.3
177.05557	0.6
177.06882	0.5
177.09106	5.8
178.07742	2.5
179.08536	0.9
181.06400	0.5
181.10115	0.5
181.99817	0.4
182.07301	0.7
187.07568	0.7
189.09070	22.4
190.09323	0.5
193.06493	3.2
193.10127	5.2
194.07191	1.0
195.08028	16.0
197.05971	0.6
197.09576	0.7
199.07631	0.5
201.09106	0.6
202.07816	0.6
203.08566	1.9
206.06989	0.5
207.08177	0.8
207.10127	2.9
207.87846	0.5
209.09526	3.4
210.06700	3.2
211.07526	1.6
212.08282	3.6
219.08185	0.6
219.10274	0.5
220.08797	0.5
221.06003	7.3
221.09563	7.4
221.11569	0.7
223.07506	7.2
224.08247	1.8
225.05466	0.6
225.09070	6.2
225.79501	0.4
227.10632	23.6
234.06845	0.6
235.07600	0.7
237.08995	2.2
238.06190	1.9
238.09888	0.5
239.10736	0.5
240.07834	2.9
241.08290	0.5
241.12274	0.5
249.09045	4.0
252.07903	1.6
253.08585	9.3
253.12207	12.8
255.10103	19.4
255.12653	0.9
267.06906	0.4
267.10107	3.4
269.08038	2.8
269.11646	1.6
272.10379	2.7
280.10956	0.4
281.11649	2.7
283.13510	0.5
284.10330	1.7
285.11188	14.3
287.12738	27.2
297.11026	0.8
298.12021	0.8
299.12738	2.0
301.14282	0.8
311.12704	0.6
313.14276	17.7
325.14142	0.6
331.15353	100.0
332.15717	1.7
343.15262	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	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03419	1.8
61.02898	1.0
62.27589	0.4
69.03411	2.7
70.06544	0.8
70.66650	0.4
71.04990	0.7
71.84848	0.4
76.43951	0.4
81.03394	0.6
81.07055	0.6
84.08169	0.4
85.02898	7.7
86.03185	0.5
87.04458	0.4
91.05474	4.4
92.09283	0.9
93.07009	0.8
95.04974	0.6
97.02861	2.7
103.05426	3.3
105.07034	0.7
107.04930	1.1
107.08581	0.6
109.02882	0.8
113.59421	0.5
115.05417	2.1
117.06980	0.8
119.04900	0.5
119.08583	4.9
121.10136	0.6
122.03648	1.0
127.03867	0.8
128.06181	1.8
129.06996	8.7
131.04927	7.3
131.08553	10.1
132.05647	2.6
137.05959	23.3
141.06972	7.3
143.04875	0.5
143.08453	0.5
144.05704	0.6
145.04982	0.8
145.06436	1.8
147.04442	0.6
147.08018	5.0
149.05969	0.5
151.07576	0.7
153.05437	0.8
157.06493	7.6
158.07249	2.7
159.08020	8.6
160.05154	4.4
161.05902	0.8
161.09587	0.7
163.07513	10.8
165.09116	0.8
169.06409	3.6
170.07169	1.7
173.05960	0.5
174.06738	18.8
175.07512	30.8
175.58879	0.4
177.09085	0.6
178.04973	6.4
179.05325	5.5
180.05502	0.9
186.06747	4.5
187.07515	0.9
188.08252	0.9
189.09081	37.2
191.10558	2.3
193.08588	3.0
196.06038	0.8
197.06265	1.8
198.06664	0.6
201.09091	12.7
203.10669	0.5
219.10135	100.0
220.10435	0.6
325.14313	4.4
343.15204	0.9
379.17340	0.5
540.20691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01877	0.5
57.03437	0.5
57.94359	0.4
58.08903	0.4
65.03883	0.5
69.03414	1.2
79.05463	0.7
81.07059	0.5
85.02494	0.5
85.02901	7.4
91.05462	14.1
92.08589	1.6
94.04178	0.7
95.04935	4.1
97.02831	1.9
103.05448	2.2
105.07015	2.8
107.04945	2.7
109.06484	2.5
111.04395	0.9
115.46547	0.5
119.04919	12.7
121.06468	2.9
122.03619	3.0
123.04309	0.6
123.08038	0.7
127.03908	0.6
128.06154	0.7
128.69363	0.5
129.06979	8.8
131.04918	4.9
131.08540	1.2
133.06438	0.7
135.08038	4.5
136.05173	2.3
137.05957	62.3
143.04895	0.6
145.06503	3.5
146.03618	0.7
147.04349	0.9
147.07999	0.6
149.05951	9.7
151.03918	2.5
151.07524	66.5
157.06476	9.5
158.07178	0.6
159.07933	0.6
161.05957	7.2
161.09599	2.8
163.07526	15.0
165.06935	2.8
165.09090	3.5
166.07771	0.6
167.07167	1.0
167.08525	9.6
167.09883	0.8
169.06392	0.8
169.19276	0.5
174.06728	5.2
175.07506	4.7
177.09070	3.6
178.07773	2.1
179.08536	1.1
181.06441	0.6
182.07291	0.7
186.06784	0.6
187.07539	0.6
189.09073	25.4
192.09334	0.6
193.06477	4.0
193.10048	5.1
194.07315	0.8
195.08023	21.0
197.05867	0.9
203.08498	1.0
207.08134	1.0
207.10138	2.9
209.09578	3.6
210.06764	2.1
211.07585	0.8
212.08269	2.5
219.08223	0.6
219.10149	3.4
220.08771	0.6
221.06004	6.3
221.09586	7.5
222.06731	0.5
223.07500	9.0
224.08278	2.5
225.05580	0.6
225.09090	7.4
227.10625	27.8
237.09035	2.1
238.06143	3.6
238.09709	1.8
239.07079	0.6
240.07742	3.0
241.12160	0.7
249.09088	4.5
251.10585	0.7
252.07747	0.9
253.08571	10.9
253.12212	12.5
254.09207	0.5
255.07274	0.8
255.10115	22.5
257.07751	0.5
266.09351	0.7
267.10184	4.9
269.08078	3.9
269.11603	1.1
270.08868	0.8
272.10352	3.1
281.11728	3.9
284.10361	1.2
285.11169	14.5
287.12741	31.3
297.11194	0.8
298.11868	0.8
299.12643	0.7
301.14392	0.8
313.14294	25.7
331.15344	100.0
343.15314	0.8
348.82074	0.6
538.48492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.00311	0.1
55.01859	0.2
55.05505	2.3
57.03429	0.9
57.07067	1.2
60.23117	0.1
62.82522	0.1
63.02375	0.1
63.02737	0.1
64.53167	0.1
65.03930	0.2
67.05492	1.2
67.96861	0.1
69.03414	0.3
69.07053	2.5
71.08614	0.8
73.02897	0.2
77.03911	0.6
79.05482	0.8
81.03397	0.2
81.07034	1.8
83.04980	0.2
83.08598	1.4
91.05461	3.3
93.07018	0.9
94.04169	0.3
95.04926	0.2
95.08602	1.3
97.06503	0.5
97.10149	0.8
99.04445	0.2
105.03369	8.4
107.08609	0.3
108.54411	0.1
109.02878	0.7
109.10136	0.3
111.04433	0.2
119.04916	3.5
121.10114	0.3
122.03632	1.5
132.02040	0.9
133.02829	99.6
134.03157	0.3
135.04376	0.3
135.11685	0.2
137.05913	0.8
147.04391	4.1
149.13181	0.2
150.03102	4.4
151.03880	14.4
157.03995	0.3
160.01485	0.7
161.02309	72.3
162.02885	0.2
165.05438	6.9
175.03874	3.1
178.02533	1.2
179.03377	0.2
193.04933	100.0
194.05280	0.8
211.05954	0.3
231.06244	0.1
249.07486	0.3
267.08530	0.7
288.11200	0.1
314.04349	0.1
329.26672	0.6
359.18484	0.2
447.26978	0.2
521.31000	14.7
539.28613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
64.33144	0.6
66.65695	0.7
66.81287	0.7
67.05507	1.5
69.07071	3.2
69.23903	0.7
71.56329	0.7
75.06523	0.7
81.07018	3.6
84.20194	0.7
86.34943	0.7
89.03883	7.6
91.05460	1.1
95.04951	0.9
95.08596	4.1
105.07027	1.1
109.10140	1.1
117.03362	33.2
123.11769	0.8
134.03606	1.8
135.04375	1.7
139.99916	0.8
145.02831	83.0
146.03108	0.9
149.05965	14.4
177.05438	100.0
185.61406	0.8
218.29688	0.8
258.30035	0.9
300.05038	0.9
327.25278	4.1
377.06445	1.1
450.67505	0.9
465.55637	0.8
469.86078	0.8
503.29779	3.7
539.09784	3.4
539.31573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53405	1.5
54.82009	1.3
55.05491	1.2
57.10807	1.3
59.22219	1.3
72.11101	1.4
78.64217	1.3
81.07053	1.6
86.77013	1.5
86.86161	1.3
93.07037	2.0
95.08625	2.2
101.55891	1.4
121.00370	1.3
190.18114	1.4
204.23486	1.5
236.06194	1.4
315.19373	2.0
539.33337	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	540.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79624	0.3
54.59226	0.3
57.03444	0.6
57.14048	0.3
61.02912	0.7
69.03411	2.8
70.77242	0.3
81.03416	2.9
85.02897	12.4
91.03950	0.4
91.05464	0.5
97.02885	4.2
99.04411	0.5
109.02840	0.6
122.03585	0.6
127.03901	2.1
131.04926	0.8
137.05963	100.0
145.04973	1.6
148.94820	0.5
151.07552	1.6
163.07515	0.8
175.07634	0.5
181.08571	12.5
191.07047	0.6
194.76764	0.4
237.95163	0.5
265.10812	0.5
272.94052	0.4
519.45197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41876	0.5
57.03424	0.7
61.02900	1.2
68.44040	0.6
69.03408	4.0
71.04974	0.9
72.81691	0.6
73.02897	0.9
74.78697	0.6
79.05506	0.7
81.03388	1.5
84.04491	2.3
85.02891	21.0
87.36989	0.6
91.03949	0.7
97.02868	6.0
99.04387	0.6
103.03882	0.8
103.05415	0.7
109.02877	2.2
114.35802	0.6
127.03879	4.0
131.04901	1.5
137.05954	100.0
140.04672	0.7
142.50703	0.6
145.04926	4.3
147.04506	0.6
151.07526	1.2
152.72566	0.6
153.05457	3.4
163.06013	0.7
163.07481	3.0
181.04997	0.8
181.08554	16.4
197.55629	0.7
198.97543	0.8
249.15488	1.0
277.10431	0.9
325.85962	0.7
354.79459	0.7
359.61032	0.8
359.81866	0.7
434.60800	0.8
466.09277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
52.50928	0.1
53.03950	0.2
55.05500	0.9
57.03421	0.3
57.07058	0.2
61.71705	0.1
67.05480	0.4
69.07044	0.8
77.03915	0.7
79.05463	0.2
81.07042	0.9
83.08596	0.4
84.78002	0.2
91.05464	3.7
93.07027	0.4
94.04172	0.3
95.04959	0.3
95.08569	0.4
95.99297	0.2
105.03371	9.2
109.10139	0.2
116.97704	0.2
119.04913	4.6
121.10061	0.2
122.03648	2.1
127.03865	0.2
132.02032	1.0
133.02826	100.0
135.04427	0.3
137.05945	1.0
147.04379	4.7
150.03108	4.9
151.03882	15.0
160.01518	0.3
161.02306	68.0
165.05429	8.3
165.06700	0.3
175.03868	3.2
178.02583	1.1
179.03403	0.2
193.04930	93.9
194.05325	0.4
267.08554	0.7
301.51901	0.2
329.26770	0.2
459.96585	0.2
521.31024	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	539.3191
Annotation	Sanjoinine G2
Peak:m/z	Relative Intensity
53.79453	0.4
55.05481	0.4
56.33798	0.4
57.23207	0.5
65.01762	0.4
67.05499	2.2
68.04332	0.4
68.53522	0.4
69.07064	0.8
79.05486	0.6
81.07040	2.4
89.27619	0.4
91.05449	0.9
93.07038	0.9
95.08599	2.2
96.21446	0.5
101.10140	0.5
103.81728	0.4
105.07023	0.6
119.08595	0.8
120.32991	0.4
161.02220	0.7
163.63132	0.6
169.48392	0.5
169.83833	0.8
193.04980	1.1
243.24454	0.6
307.75562	0.5
463.41113	0.5
539.31836	100.0
540.32037	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	539.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81094	1.6
54.82019	1.9
55.05502	36.9
56.30216	2.0
57.03429	2.0
57.07055	7.2
62.95008	1.7
66.44574	1.9
67.05493	57.0
69.07059	44.5
71.04980	3.3
76.08188	1.8
79.05468	14.7
81.03390	4.8
81.07038	62.1
83.04961	2.6
83.08607	27.3
85.10217	1.8
91.05460	18.3
93.07035	21.7
95.04941	9.8
95.08592	67.2
95.09195	2.7
97.06506	2.3
97.10143	17.3
105.07028	10.0
107.04936	16.0
107.08578	11.5
109.06560	2.4
109.10154	21.5
111.11699	2.6
114.37885	2.1
119.04927	44.6
119.08583	7.7
121.10136	9.4
123.04414	3.8
123.11674	10.2
133.02831	12.7
133.06508	2.5
133.10077	8.7
135.11638	4.3
135.83719	2.1
137.05945	5.0
137.09567	2.9
141.05476	9.6
147.04370	25.6
147.11659	3.6
149.06029	2.6
153.05537	3.5
161.02330	8.6
165.05460	13.3
165.12779	3.6
170.07260	2.8
175.03854	8.9
181.06386	3.2
182.07257	2.3
193.04950	59.5
198.06747	2.6
207.06526	10.5
210.06638	2.3
213.09030	3.4
217.19449	8.3
226.06250	4.7
227.07014	13.8
235.20602	3.7
241.08577	4.8
254.05716	18.8
269.08032	100.0
277.21677	2.9
287.09052	14.5
295.22696	3.2
398.99402	2.1
400.46683	2.4
406.13217	2.2
406.25772	2.0
445.25403	2.4
521.28912	2.9
539.09106	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	539.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01863	0.6
55.05485	0.4
57.03438	0.3
65.03912	0.3
66.04690	0.3
67.05482	1.4
73.86819	0.3
79.05464	3.5
81.07028	1.6
83.04966	0.3
86.09677	0.6
91.05459	9.5
93.07021	2.9
94.04147	2.4
95.04943	2.2
95.08586	0.5
97.06505	0.5
103.05434	1.8
105.06995	3.8
107.04938	2.9
107.08585	1.9
108.05708	1.2
109.06525	2.2
109.10194	0.3
111.04391	0.5
115.05420	3.4
117.06980	3.9
119.04927	5.2
119.08550	0.7
121.06472	4.6
122.03629	7.8
123.04356	0.4
123.08063	4.2
124.99948	0.7
128.06209	1.1
129.06984	5.0
131.04922	3.0
131.08522	1.3
133.06450	0.7
135.04385	0.4
135.08067	2.9
136.05142	1.9
137.05951	100.0
138.06284	1.5
141.06987	0.5
143.04912	2.0
145.06477	2.5
146.03580	1.3
146.07196	0.3
147.04456	1.0
147.08029	1.2
148.05135	0.5
149.05965	2.2
149.09630	1.8
150.06757	0.4
151.03946	2.7
151.07516	39.5
153.06918	0.5
157.06462	2.3
159.08026	0.7
160.05185	0.6
161.05942	14.5
161.09578	3.0
162.06668	0.6
163.07481	4.4
165.06920	2.5
165.09033	2.1
166.07755	1.8
167.08487	1.3
169.06396	0.7
170.15385	0.4
174.06677	2.2
175.07507	7.4
177.05495	0.4
177.06990	1.4
177.09071	6.0
178.07698	1.3
179.07129	0.4
179.08543	1.9
181.06435	1.3
182.07217	1.2
183.08067	0.5
184.07333	1.9
187.07535	1.5
189.07256	0.6
189.09073	5.6
190.07782	0.5
191.08488	0.7
193.06461	2.0
193.08354	0.5
194.07222	6.2
195.08086	2.1
195.10114	19.4
195.11909	0.6
196.05109	0.5
196.08760	0.4
197.05943	0.4
197.09622	0.6
198.14908	0.3
199.07484	0.5
201.09056	0.4
202.07788	0.4
203.08569	0.5
205.06450	4.6
205.08516	1.2
206.07188	0.7
207.08041	1.9
207.10107	1.7
207.48016	0.3
208.08817	0.6
209.05948	0.4
209.09648	0.7
210.06721	2.1
211.07521	1.7
213.08968	0.3
217.06482	0.6
219.07993	1.7
219.09973	0.5
221.05930	3.5
221.09612	0.5
222.06734	4.9
223.07419	1.7
224.08252	1.2
225.09013	4.1
227.06963	0.7
231.08037	0.5
233.05949	2.6
233.09525	0.4
234.06586	2.8
235.07407	2.5
236.08199	0.6
237.09067	9.3
238.06177	0.6
238.09886	0.6
239.06958	1.5
239.10568	1.8
240.07709	0.6
241.08493	0.5
245.09592	1.2
247.07468	1.6
248.08208	0.6
249.09085	2.9
250.06186	2.2
251.06923	2.7
251.10614	1.5
252.07732	1.9
253.08531	4.4
254.09196	0.5
255.06316	0.5
255.10269	0.4
261.09036	0.6
262.06284	0.7
263.06885	0.7
264.07791	0.5
265.08508	17.7
266.09311	1.9
267.06757	0.6
267.10123	3.8
268.07266	1.2
269.08063	2.3
269.11301	0.5
270.08832	0.5
271.09698	0.7
277.08548	4.8
279.10062	2.8
281.08017	1.4
282.08771	1.2
283.09488	4.0
284.10361	1.1
285.08035	0.3
285.11169	10.0
291.10159	0.7
293.11646	0.7
295.09573	1.5
295.13092	0.4
296.10483	0.5
297.11163	21.7
297.40598	0.3
298.11569	0.5
299.12750	2.0
305.11688	1.6
309.11124	2.6
311.12753	9.3
317.13849	4.2
323.12756	2.3
327.12534	0.4
337.14404	2.6
341.13660	1.6
343.15292	1.6
347.09326	0.4
355.15268	1.9
367.15143	0.3
371.12778	0.4
375.16019	0.4
401.13211	0.4
403.15503	0.4
429.16803	0.5
432.15338	0.5
435.17828	1.4
447.17963	0.7
459.17865	0.6
461.19470	4.2
479.20551	9.1
491.20236	2.9
503.20236	0.5
539.24652	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01862	1.4
55.05488	0.8
56.96563	0.8
63.88556	0.5
67.05500	1.3
71.62697	0.6
71.95176	0.6
73.12257	0.5
79.05469	4.1
81.07040	3.0
85.02913	1.5
91.05463	12.6
92.08708	1.3
93.07047	3.3
93.80909	0.5
94.04153	3.1
95.04937	2.8
95.08593	1.2
103.05489	5.3
105.07006	6.2
107.04956	5.7
107.08547	0.7
109.02829	0.7
109.06520	3.9
109.10146	0.6
111.04428	0.6
115.05407	6.1
116.06170	0.7
117.06982	5.3
119.04908	6.8
119.08557	1.5
121.06494	7.4
122.03635	9.1
123.08044	4.3
125.06031	0.8
128.06242	1.0
129.06972	6.4
131.04895	8.6
131.08524	3.6
132.05690	1.2
133.06467	3.1
135.04388	1.1
135.08051	3.4
135.84795	0.6
136.05197	1.0
137.05951	100.0
139.51057	0.6
141.06972	0.6
143.04921	3.3
144.05791	0.7
145.02824	0.6
145.06506	4.0
146.03593	1.2
146.07150	0.9
147.04407	3.9
147.08064	3.1
148.05205	1.1
149.05994	6.3
149.09605	1.0
150.06720	0.9
151.03864	1.5
151.07521	36.0
152.06232	0.7
157.06450	5.7
159.08046	1.1
160.05197	2.6
161.05945	34.2
161.09564	5.0
162.06754	1.1
163.07521	10.8
165.06891	4.3
165.09100	3.5
166.07782	1.3
167.07094	0.8
167.08469	1.4
169.06432	1.0
173.05916	1.0
174.06743	5.6
175.07506	25.8
177.06987	0.8
177.09079	5.7
178.07742	1.5
179.07086	0.8
179.08546	3.6
181.06450	2.5
182.07205	1.3
183.08005	0.8
185.05893	0.9
186.06715	0.7
187.07509	2.6
189.07082	1.3
189.09061	13.7
190.07761	0.8
191.07022	1.3
191.08533	1.1
193.06430	3.0
193.08401	0.9
194.07204	6.8
195.08090	3.0
195.10164	11.5
199.07483	0.6
201.09033	0.7
202.07700	1.1
203.08580	0.7
205.06470	4.6
205.08321	0.8
206.07169	1.0
207.08064	3.1
207.10172	4.6
208.08846	2.3
209.09720	1.2
210.06741	1.3
211.07524	4.0
213.09149	1.4
217.06378	0.9
218.07278	1.2
219.08029	4.6
219.10161	4.8
220.08740	1.4
221.05867	5.0
221.09547	1.1
222.06699	5.2
223.07594	2.4
224.08272	3.1
225.09106	4.4
227.06999	1.3
233.06050	2.1
233.09579	1.1
234.06705	3.2
235.07532	4.8
236.08427	1.0
237.09039	8.7
238.06174	0.9
239.07008	1.3
239.10706	1.1
240.07686	0.9
241.08481	1.1
245.05896	0.9
245.09639	1.2
246.10234	0.7
247.07480	2.3
248.08301	1.1
249.09096	4.9
250.06224	1.4
251.06963	2.7
251.10664	4.2
252.07843	1.2
253.08456	6.5
254.09311	1.0
255.06517	1.5
255.10066	1.4
261.09027	1.1
262.06195	1.2
262.09885	0.9
263.07022	1.3
263.10681	1.3
264.07739	1.4
265.08496	16.4
265.11105	1.0
266.09241	1.1
267.10162	3.9
269.07840	2.0
270.08810	3.1
271.09802	0.8
273.09018	0.9
277.08597	7.5
277.11664	0.9
278.09119	1.0
279.10083	5.8
281.08142	2.3
282.08798	1.4
283.09686	4.0
285.11255	6.9
288.11893	0.8
290.09161	0.9
291.10138	2.7
293.08179	1.4
293.11633	1.1
295.09586	3.4
296.10397	0.9
297.11200	15.9
299.12732	3.2
305.11685	3.0
307.09772	0.8
309.11246	4.1
311.12766	12.8
313.14310	0.8
315.12253	4.8
317.13803	3.1
323.12680	6.0
329.13605	0.8
337.14264	13.8
341.13828	1.5
343.15421	0.8
349.14178	3.3
355.11276	1.1
355.15335	14.6
367.15271	10.4
433.15988	0.7
435.17822	0.8
461.19366	4.7
479.20667	5.6
491.20746	2.5
509.21783	4.5
542.03058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1892
Annotation	Thielavin M
Peak:m/z	Relative Intensity
52.09994	0.6
55.01851	0.7
69.03416	1.7
70.06578	4.0
72.08131	1.5
73.02895	1.4
81.03381	1.6
84.04494	0.9
84.08136	0.9
85.02890	3.4
86.09680	0.8
87.04419	0.9
91.05455	3.5
93.07069	0.9
95.04897	0.9
97.02874	1.3
103.05466	1.0
105.07012	1.5
107.04925	1.1
107.08573	0.9
109.02906	0.8
109.10142	1.2
119.04938	1.0
119.08556	2.9
121.06477	1.3
122.03598	1.1
125.06003	1.0
127.03932	1.5
130.04900	0.8
131.04906	2.8
135.04430	1.8
137.05963	26.2
147.04391	1.3
147.08011	0.8
147.11682	1.3
148.11981	1.2
149.05951	1.6
151.03903	4.8
151.07504	1.2
161.05951	7.7
161.09618	1.7
173.13205	1.2
175.03632	20.7
181.08592	1.6
189.09155	1.9
197.08105	1.0
207.10170	1.5
261.08490	0.8
262.18338	1.0
391.60657	1.0
409.14011	0.9
539.18762	100.0
540.18994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.05492	0.8
57.21724	0.6
67.05489	1.4
69.03416	1.1
69.07062	0.7
76.27158	0.6
79.05468	3.8
81.07030	2.5
82.52736	0.6
83.08622	0.6
85.02883	0.9
91.05469	12.6
93.07018	2.8
94.04157	1.5
95.04954	3.1
95.08580	2.5
102.80464	0.5
103.05458	5.9
105.07005	6.0
107.04938	8.2
107.08578	1.5
109.06496	2.8
110.52408	0.6
111.04407	1.1
115.05438	4.0
117.03355	0.7
117.06998	4.0
119.04897	6.6
119.08560	2.4
121.06490	5.2
122.03633	7.5
122.43690	0.6
123.04401	0.7
123.08038	4.2
123.11702	0.7
123.98669	0.6
124.05167	0.7
125.34518	0.6
127.03914	0.6
128.06232	2.5
129.07004	7.3
131.04892	8.2
131.08545	3.4
132.05617	1.0
133.06461	2.6
135.04396	1.2
135.08017	3.0
136.05196	0.7
137.05957	100.0
141.06950	1.3
143.04907	2.8
144.05734	1.2
145.06465	5.2
146.03636	1.4
147.04414	5.0
147.08038	4.1
148.05219	0.8
149.05954	3.6
149.09511	0.8
151.03815	2.5
151.07523	40.7
153.05510	0.8
155.00969	0.6
155.06076	0.7
157.06511	5.5
159.04358	0.7
159.08061	2.5
160.05197	2.8
161.05954	39.0
161.09593	5.5
162.06728	1.3
163.07506	11.8
165.06944	5.0
165.09064	3.2
166.07741	2.9
167.07011	0.7
167.08464	0.6
173.05948	1.1
174.06682	5.2
175.07520	26.3
177.05521	1.4
177.06918	0.9
177.09085	5.6
178.07707	1.1
179.07054	0.8
179.08473	2.4
181.06499	1.5
181.08626	0.7
182.07156	0.7
183.08159	0.8
185.05942	1.5
187.07533	1.3
189.07251	1.2
189.09039	13.7
190.07735	0.8
191.08614	0.8
191.10651	0.7
193.06487	4.1
193.08376	0.6
194.07237	6.1
195.08188	2.5
195.10161	10.7
199.07541	1.3
201.09074	0.9
202.07809	0.8
203.06905	0.9
203.08650	1.0
204.07661	1.3
205.06483	4.3
205.08424	1.8
207.08009	4.0
207.10149	5.1
208.08702	1.2
209.06035	0.7
209.09561	3.1
210.06767	1.5
211.07585	3.5
213.09099	0.8
214.10223	0.7
215.08522	0.8
217.06509	1.1
217.08505	0.7
218.07222	1.4
219.07988	3.6
219.10126	5.4
220.08772	0.9
221.05910	5.4
221.09532	1.4
222.06772	6.3
223.07515	2.9
223.11278	0.7
224.08324	2.4
225.09160	4.7
226.06311	0.8
226.09666	0.8
233.05939	1.2
234.06728	4.3
235.07491	3.9
235.55115	0.7
236.08257	1.2
237.09076	7.7
238.06093	2.3
239.06990	3.0
239.10643	2.4
240.07639	1.0
241.08601	1.0
245.05919	0.7
245.09409	1.1
246.06551	0.7
247.07449	2.9
248.08206	1.5
249.09038	5.7
250.06223	2.9
251.07024	3.2
251.10643	4.3
252.07762	2.6
253.08517	6.6
254.09216	1.1
255.06317	1.4
255.10306	1.1
256.07062	0.8
261.09009	1.2
262.06339	1.4
262.09622	0.8
263.07013	1.3
263.10602	2.9
264.07620	1.1
265.08542	18.0
267.06461	1.0
267.10089	6.3
268.07187	0.7
269.07990	1.4
269.11612	0.7
270.08780	3.1
276.07727	1.0
277.08530	7.7
277.11993	1.3
278.09555	0.9
279.10077	3.9
280.10910	1.0
281.08014	2.5
282.08725	1.1
283.09521	4.4
284.10263	0.9
285.11194	8.0
291.10040	3.7
293.08054	1.6
295.09500	2.6
296.10617	2.3
297.11160	18.8
299.12726	3.4
305.11554	2.8
306.08765	1.0
307.09698	1.3
308.10345	3.3
309.11145	5.3
311.12778	12.0
315.12134	6.0
317.13797	3.0
321.11157	1.4
323.12808	5.8
329.13812	1.2
337.14285	12.2
341.13910	2.3
343.15329	3.6
349.14267	2.5
353.13922	0.7
355.15369	18.8
367.15469	9.8
385.15146	0.8
461.19357	3.1
479.20679	5.1
488.75616	0.7
491.20615	1.5
509.21075	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	539.097
Annotation	8,'8''-Bibaicalein
Peak:m/z	Relative Intensity
50.27951	0.2
52.93043	0.2
58.59578	0.3
63.02352	0.3
65.03911	0.6
67.01822	0.6
68.99752	0.7
78.96133	0.3
87.34659	0.3
88.47234	0.3
91.05426	2.2
91.14456	0.3
107.04881	0.4
111.00632	0.4
111.04377	0.6
115.05434	4.9
117.01142	0.3
119.04941	3.1
121.02845	13.7
121.03808	0.6
123.31012	0.3
123.63684	0.3
131.04910	7.6
133.02800	1.8
137.31494	0.3
143.04875	3.5
145.02831	6.8
147.04150	0.3
153.01808	8.0
155.04890	0.4
157.06477	0.4
159.04376	3.9
161.02293	0.7
161.05911	2.2
171.04358	42.5
171.05505	1.7
173.02220	0.4
175.03841	0.4
195.02840	0.6
197.05891	0.5
199.03871	72.9
201.01801	0.6
213.05206	0.5
214.02527	0.8
215.08463	0.8
217.04857	2.0
219.02898	1.4
223.07558	0.6
227.03349	100.0
233.09621	0.5
241.04903	0.5
245.04411	5.7
247.02267	1.5
247.07407	0.6
261.09085	0.6
267.03006	0.4
269.04373	1.9
271.07416	1.3
275.07053	0.5
276.04504	0.4
281.04489	0.4
288.07568	0.7
289.08536	6.3
291.06448	1.2
295.02136	0.4
307.05969	0.8
311.05466	0.8
316.07111	0.8
317.07993	7.9
321.07690	0.6
337.03442	0.5
345.07520	14.1
347.05310	2.9
359.09360	0.4
377.06476	0.6
379.04175	0.5
387.08536	16.9
403.04214	0.5
413.06711	3.1
497.08688	2.0
539.09631	92.7
540.10181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1888
Annotation	Kadsuphilol K
Peak:m/z	Relative Intensity
55.05490	0.8
67.05488	1.1
69.03410	1.5
69.07051	1.3
70.06571	1.5
79.05486	0.9
79.34045	0.6
81.03418	0.6
81.07050	0.9
82.70895	0.7
83.04964	1.2
84.08100	1.0
85.02875	3.0
87.71636	0.7
91.05466	2.8
93.07010	1.3
95.04951	1.5
98.97564	2.5
105.07016	4.6
106.07335	0.8
107.08554	0.9
111.04427	0.6
116.98579	1.0
119.04959	0.7
119.08566	8.0
121.02833	1.2
121.10097	0.9
126.80679	0.7
131.08572	2.9
133.10130	4.0
137.05971	5.5
138.06247	0.6
143.08556	0.7
145.10120	3.9
147.04405	1.0
147.11699	3.9
151.03908	2.8
156.64803	0.7
157.10094	0.7
159.11705	0.8
161.05960	1.2
163.11153	0.6
171.11617	1.0
173.13263	1.2
175.03616	19.6
175.14795	6.7
177.00711	1.1
187.14992	0.7
219.10245	2.6
237.02919	0.9
287.16434	0.9
291.12741	0.7
301.69333	0.6
305.17380	2.6
306.17926	0.8
323.18573	2.9
359.15265	0.8
453.17767	1.1
474.74063	0.7
539.18799	100.0
540.19415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0964
Annotation	8,'8''-Bibaicalein
Peak:m/z	Relative Intensity
57.07059	2.0
62.06079	0.7
67.01867	0.5
67.05499	0.3
68.99770	3.3
71.08607	0.7
72.29988	0.3
78.54668	0.3
81.07035	0.3
91.05463	1.1
92.08733	0.4
93.92043	0.3
102.04660	0.7
102.57844	0.3
116.23303	0.3
118.04104	0.4
119.04925	6.3
121.02856	4.4
123.00762	1.9
124.01522	2.5
132.24377	0.3
139.00243	5.3
145.02863	0.6
147.04385	0.5
152.01114	0.4
153.01790	7.5
157.01378	0.3
157.06519	0.3
163.03871	0.6
168.00572	2.0
170.02089	2.7
171.02829	0.4
186.01511	2.5
187.04019	0.4
197.05969	0.5
212.23775	1.2
213.05440	1.5
216.64482	0.3
225.05400	1.2
226.06287	1.7
230.22368	0.5
230.24731	16.8
231.25095	3.3
237.05452	1.9
241.04979	1.9
242.05673	13.1
242.08017	0.5
253.04904	8.2
254.05707	5.7
255.06459	1.6
256.26312	0.3
257.04385	12.0
269.04340	4.9
270.05151	11.6
270.07980	0.4
271.05972	5.5
274.27362	5.0
279.06558	0.4
281.04483	0.5
283.05997	1.8
284.06393	0.4
285.03851	2.7
286.04654	18.4
334.55664	0.3
375.05017	0.4
387.08475	4.3
413.06412	0.4
421.05795	0.5
431.07458	0.5
493.09280	0.4
539.09607	100.0
540.09900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0969
Annotation	Cupressuflavone
Peak:m/z	Relative Intensity
50.80009	0.2
53.69775	0.3
56.19902	0.3
65.03918	0.6
67.01846	1.7
68.99768	2.3
76.86458	0.3
79.05470	0.3
91.05468	0.6
111.00767	0.3
119.04934	0.7
121.02844	11.8
131.04868	0.5
145.02852	3.4
153.01805	14.1
153.03014	0.6
155.04929	0.7
163.03845	1.1
164.17717	0.3
169.06490	0.4
171.02852	1.6
183.04491	0.4
187.03882	0.3
187.39862	0.3
197.05971	1.1
199.03906	0.4
206.31233	0.3
213.05547	0.3
221.05963	0.5
225.05490	1.3
227.03482	0.7
227.07089	0.5
236.01096	0.3
242.05769	1.7
245.04236	0.4
247.76631	0.3
251.03397	1.4
253.04837	0.4
255.06444	5.0
265.04938	0.5
269.04401	2.2
270.05121	2.5
279.06445	1.7
283.05942	11.8
289.08804	0.4
291.06622	0.4
295.06012	0.5
298.14105	0.3
303.06537	0.4
305.04453	1.7
307.05951	11.1
308.06839	1.3
309.07605	0.4
311.05469	3.3
317.08261	0.3
319.05954	6.0
319.09390	0.5
321.07465	4.9
323.05521	0.5
323.22101	0.3
331.05798	2.1
332.06720	0.5
333.03815	0.5
333.07516	1.5
334.04791	0.4
335.05411	14.9
337.03381	1.1
345.07642	3.4
347.05392	12.1
349.06927	1.3
359.05353	3.8
361.03378	0.7
368.00198	0.3
375.04926	1.7
376.05777	0.5
377.06506	17.6
379.04480	0.7
387.08453	3.9
403.04416	16.9
419.07147	1.1
421.05530	2.6
431.08173	0.3
437.62082	0.3
453.09390	0.4
464.50085	0.3
495.10663	0.6
497.08359	3.6
521.07904	0.3
539.09625	100.0
540.09937	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98267	2.0
53.00278	2.5
54.80973	2.2
55.05492	12.4
57.03423	12.6
57.07072	96.2
61.02915	3.9
65.00806	2.1
67.05503	30.0
69.07050	21.6
71.08244	4.7
71.08620	88.0
72.85159	2.2
73.32800	2.3
75.04466	2.5
81.03403	2.9
81.07044	39.8
83.08613	21.7
85.02906	17.7
85.10168	41.4
91.03970	2.9
95.08587	68.2
97.02907	6.1
97.10155	22.9
109.10142	27.8
111.11710	4.6
123.11679	10.2
127.03923	4.4
137.13145	2.6
146.06119	2.8
174.75011	2.7
191.22032	2.7
202.75127	2.4
267.26746	31.1
282.23267	2.9
341.26620	4.7
341.30475	100.0
342.75995	2.7
359.31522	20.0
411.30948	11.8
429.32007	16.1
447.79828	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	538.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66051	2.6
55.05505	6.3
57.03423	6.6
57.06810	4.9
57.07069	69.5
60.08155	12.5
61.02898	4.5
67.05499	20.2
69.07043	10.7
69.64216	3.4
71.03707	2.7
71.07357	6.0
71.08613	46.3
79.05477	5.6
81.07052	26.0
83.08605	15.7
85.10181	36.7
85.11517	3.3
86.09695	44.0
91.05457	3.5
92.05732	3.0
93.07038	6.1
95.08588	45.7
95.15464	3.1
97.10129	7.5
104.10722	62.4
109.10142	16.4
125.00011	25.4
146.66368	3.6
156.53719	3.4
184.07301	58.5
267.26788	20.5
285.27820	4.2
341.30453	100.0
359.31555	19.7
520.06598	3.3
522.02948	3.4
538.38379	30.6
539.09613	3.5
541.74225	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	538.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01640	1.5
55.01861	12.5
55.05503	40.5
55.39425	1.1
55.40591	1.1
57.03430	1.9
67.05487	34.1
69.03419	4.7
69.07059	15.4
71.04980	2.7
79.05473	46.3
81.03400	7.3
81.07039	78.7
83.04959	11.2
83.08604	17.6
85.02928	1.5
85.06518	2.0
91.05464	27.0
93.07026	32.9
95.04951	24.5
95.08589	18.6
97.02876	1.3
97.06493	2.9
97.10156	21.5
103.05457	1.2
105.07012	19.1
107.04919	11.1
107.08574	25.9
109.02856	1.2
109.06502	11.1
109.10138	6.5
111.04420	9.5
111.08070	6.5
115.05444	1.3
117.06979	17.9
119.08552	30.8
121.06483	9.4
121.10130	12.6
123.08046	12.5
123.11668	1.4
125.09599	19.7
128.06229	1.8
129.07002	8.2
130.07753	1.4
131.08553	16.4
133.06485	2.3
133.10089	8.7
135.08012	9.4
135.11642	9.5
137.09599	2.0
143.08528	8.0
145.10115	17.9
147.08018	16.2
147.11658	2.5
149.09619	8.2
149.13275	6.1
153.09102	7.5
153.12729	1.8
155.08516	2.0
157.10172	7.0
159.08063	2.1
159.11656	8.5
161.09575	7.0
163.11172	11.8
165.09096	2.2
171.11638	2.9
173.09570	4.7
175.11296	1.7
177.12700	2.2
181.12268	4.2
185.13171	2.1
189.11165	7.1
191.10670	5.8
195.13821	1.3
199.11287	1.4
211.13318	1.2
223.13275	4.5
227.12781	5.4
228.50256	1.2
231.13588	1.4
245.18958	4.7
249.14822	2.9
255.17436	6.5
273.18408	28.8
275.19965	5.4
291.19470	100.0
309.20505	5.3
340.53571	1.4
485.32486	2.8
539.31641	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	538.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.0
55.05505	6.9
57.03421	7.9
57.07055	1.3
61.02903	4.4
67.01847	1.7
67.05492	10.9
68.99764	4.3
69.03436	3.3
69.07056	10.9
71.01320	0.9
71.08616	9.8
73.06528	1.1
79.05469	15.8
81.03397	7.5
81.07043	10.2
83.04971	1.8
83.08585	5.2
84.49494	0.9
85.02888	3.8
85.10161	1.9
91.05457	13.7
93.07031	11.7
95.04955	4.2
95.08574	6.6
97.02849	2.2
97.06503	5.1
99.04456	1.3
99.08080	7.2
100.07626	0.9
105.07003	12.1
107.04924	1.6
107.08597	4.8
109.10114	1.7
111.08051	2.0
113.09629	4.6
117.06982	3.4
119.04931	2.2
119.08556	8.9
120.42693	0.9
121.02856	10.7
121.06483	1.4
121.10128	7.8
131.04938	1.2
131.08531	3.5
131.12447	0.9
133.10130	9.0
135.08005	3.5
135.11699	1.3
137.05937	2.1
137.09564	2.2
139.11116	1.7
143.07021	4.6
145.02838	4.7
147.11646	3.6
149.09583	2.1
151.07512	1.1
151.11160	5.6
153.01819	18.5
155.10619	1.2
157.10136	1.4
159.04404	0.9
161.09665	1.1
163.03831	1.0
165.12755	3.4
167.10745	1.0
169.08501	0.9
171.02853	1.9
173.11722	1.7
183.15849	0.9
189.16309	1.2
203.17935	2.1
213.16345	1.1
217.10692	1.5
225.05647	0.8
227.03133	1.1
227.16159	0.9
231.17398	4.2
241.14186	8.0
242.05693	1.2
249.18520	7.2
255.06458	3.9
267.19461	1.3
269.04498	1.6
270.05087	3.3
279.06500	1.1
283.05936	14.0
288.08783	0.9
295.05826	1.1
305.04572	1.2
307.05978	13.5
308.06665	1.6
311.05179	2.6
319.06006	7.2
321.07495	6.5
323.22083	26.0
331.06113	1.1
332.06757	0.9
335.05457	17.5
341.23126	12.6
345.07407	4.2
347.05499	18.0
349.06863	1.2
356.63522	0.9
359.05432	4.1
375.04770	1.8
377.06479	25.3
387.08298	7.7
403.04361	21.1
421.05441	5.3
497.08447	4.6
539.09656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.05476	0.5
57.03419	0.7
61.02909	1.1
67.05486	0.3
69.03416	2.1
69.07056	0.3
71.04975	1.3
81.03391	1.9
81.07019	1.5
83.04929	0.4
85.02880	7.1
91.05450	1.1
93.07035	0.5
94.04126	1.1
95.04951	0.4
95.08588	0.5
97.02887	2.5
99.04440	0.7
103.03944	0.6
103.05450	4.0
105.07009	0.7
107.04921	1.7
109.02856	0.7
109.06492	0.6
119.04910	0.4
119.08578	0.5
121.06487	0.6
122.03615	4.4
125.06059	0.3
127.03883	1.6
129.05406	0.4
131.04898	13.6
133.06488	0.4
133.10149	0.3
134.05841	0.3
135.04352	0.4
137.05952	100.0
138.06294	0.5
145.04868	0.8
145.06471	0.6
147.04393	1.2
147.11728	0.3
149.05957	1.6
151.03867	0.5
151.07507	1.2
157.06456	0.6
161.05956	0.4
161.13249	0.3
163.06134	0.5
163.07484	5.8
165.05447	1.5
175.07484	1.7
177.05481	1.9
177.09088	0.5
179.07021	1.2
189.09119	1.4
191.07016	0.5
203.08527	1.4
205.08479	0.4
217.08620	0.4
220.08774	0.3
223.09607	0.7
231.07982	2.7
248.08301	1.1
249.09131	0.5
259.07471	1.2
263.10605	4.0
265.08548	0.4
276.07846	0.7
291.10098	6.2
292.10748	0.3
295.13281	0.6
304.23007	0.3
305.11676	1.6
309.11145	0.3
318.64795	0.3
323.12585	4.0
341.13742	18.9
359.14828	17.7
359.19427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	12.5
55.05266	1.2
55.05507	17.2
57.03429	9.5
57.07067	6.3
59.76389	1.0
60.54938	0.8
61.02913	5.9
67.05491	20.3
68.98978	0.9
69.03407	7.0
69.07056	15.0
71.01302	1.0
71.04966	2.4
71.08615	14.9
73.02886	1.7
79.05463	13.7
81.03394	12.7
81.07042	15.3
83.04967	4.4
83.08598	15.9
83.43916	0.9
85.02893	4.6
85.10171	16.7
85.44299	1.1
86.81081	1.1
91.03922	1.2
91.05460	17.7
93.07018	19.5
95.04933	9.6
95.08581	24.8
97.02847	2.4
97.06522	7.0
99.08060	13.7
105.06989	8.5
107.04904	2.2
107.08578	6.2
109.06484	5.4
109.10136	11.0
111.08068	14.2
113.06017	1.5
113.09610	13.7
117.06967	1.3
119.08566	19.6
121.06499	4.4
121.10129	15.0
123.08076	1.9
131.08542	4.0
133.10110	13.6
135.08055	5.2
135.11725	1.4
137.09608	18.3
139.11118	9.3
147.08012	1.8
147.11685	2.1
149.09558	3.7
149.91141	1.1
151.11154	17.3
155.10609	10.2
161.09599	2.1
161.13106	1.3
165.09155	1.3
165.12711	19.1
167.10648	1.2
169.08588	7.9
170.48605	1.2
187.13287	6.0
197.31192	1.2
203.17931	1.6
205.15897	1.4
221.19012	8.3
231.17459	6.3
241.14200	1.6
249.18381	15.5
267.19556	6.4
281.00391	1.2
323.22079	59.4
324.22632	1.5
341.23151	100.0
503.28302	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	538.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93317	0.2
53.03957	0.2
53.49723	0.2
53.61729	0.2
53.78157	0.3
54.81281	0.2
55.01860	0.6
56.92685	0.2
57.03424	0.4
61.02911	1.2
65.03925	0.3
69.03404	2.8
71.04956	0.3
73.02898	0.5
79.05499	0.8
81.03398	3.0
81.07033	0.4
85.02888	9.2
91.03941	0.3
91.05460	1.5
93.03379	0.5
94.04160	1.2
95.04940	0.3
97.02870	3.1
99.04441	0.3
103.05452	2.1
107.04962	0.5
109.02859	0.5
109.06499	1.1
111.04405	1.9
115.05437	6.8
117.06978	3.1
119.04935	0.6
122.03613	4.6
125.06002	1.8
127.03881	1.2
128.06192	1.3
129.06985	6.9
131.04903	5.6
131.08542	0.4
137.05957	91.5
138.06268	0.3
143.04907	13.4
144.05698	1.8
145.04939	1.6
145.06467	1.9
146.03624	0.5
146.07230	0.3
147.04410	0.4
147.07979	0.5
149.05968	0.4
151.03876	1.3
151.07527	0.6
153.05446	2.4
157.06459	6.2
159.04369	0.3
159.07965	0.4
160.05170	19.3
161.05986	3.0
161.09529	0.3
163.07513	2.8
172.05162	3.1
173.05887	0.4
174.06703	2.3
175.07513	100.0
176.07857	0.4
177.09073	0.5
179.07164	0.3
180.08578	1.0
187.07507	37.2
188.08044	0.3
189.09068	7.6
191.06960	0.4
191.08539	1.0
193.08583	0.4
199.07567	0.3
202.07726	0.3
203.08511	1.8
205.08569	12.4
211.07536	2.8
217.08533	2.9
219.07979	2.0
220.08873	0.4
227.07008	0.3
231.08005	1.8
232.08624	0.3
235.07413	0.5
235.09595	13.6
236.08264	0.4
239.06955	1.6
240.07741	0.4
247.07527	1.9
248.08261	2.5
251.10570	0.5
255.06512	1.2
259.07437	0.6
263.10635	2.9
268.07233	0.3
270.08847	2.4
271.09607	2.7
276.07739	1.4
277.08682	0.3
279.10052	2.2
283.09518	1.2
291.10071	5.3
293.07916	0.4
296.10312	0.9
308.10315	0.9
309.10889	0.3
311.12772	2.0
323.12820	3.9
341.13812	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	538.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00260	0.3
53.03961	0.4
55.01859	1.4
55.56607	0.3
57.03425	0.8
59.54801	0.3
61.02910	0.5
61.85112	0.3
69.03408	1.8
79.05472	1.6
81.07040	1.6
85.02903	7.0
88.14265	0.3
91.05463	2.8
94.04152	2.3
95.04951	0.4
97.02872	1.6
99.04446	0.7
103.03971	0.4
103.05427	1.3
105.07014	8.6
107.04952	0.9
107.56490	0.4
109.02873	0.3
109.06516	4.1
115.05450	2.7
117.06965	0.5
119.07681	0.3
119.08559	1.4
121.06486	0.5
122.03632	6.9
127.03883	1.7
128.06200	0.6
129.06926	3.0
131.04897	1.7
132.05669	0.9
133.06468	8.8
137.05960	100.0
144.05670	0.6
145.04916	0.5
145.06415	1.4
146.03627	0.7
146.35744	0.3
147.04413	0.4
147.08014	2.0
149.05971	2.4
151.07506	0.8
155.04875	3.5
156.05717	0.5
159.08052	5.2
160.05103	0.5
161.05951	15.8
162.06693	0.4
163.07538	0.5
172.05171	2.1
175.07506	11.5
175.08908	0.6
177.16339	0.5
179.07004	0.6
179.08488	0.4
180.04317	0.4
180.09360	0.5
187.07503	16.4
189.06967	1.6
190.07750	8.5
191.08527	32.4
192.09334	0.5
199.07504	2.4
201.07010	0.7
202.07703	1.5
203.08495	3.3
205.06496	0.7
207.08038	1.8
208.08797	3.7
218.07249	7.4
219.08017	43.6
220.08794	4.0
223.11121	0.5
229.07639	0.5
230.07376	0.4
231.08139	2.6
232.08809	0.5
233.09554	1.8
235.07458	2.3
235.11150	0.4
236.08293	7.7
237.09113	0.8
246.06584	1.4
247.07487	17.2
248.08305	3.3
249.09123	0.8
251.10619	84.3
252.10876	0.5
253.08501	1.5
259.07455	2.5
260.08179	0.5
261.08954	1.9
263.07007	0.4
263.10675	0.8
264.07761	3.8
265.08563	1.8
276.07620	0.7
277.08551	0.7
278.09366	0.5
279.10110	43.1
280.10745	2.8
281.08203	2.9
283.13260	0.5
291.10043	3.2
292.10785	0.4
295.09641	0.6
296.10300	3.1
311.12729	76.1
312.13098	0.4
323.12726	7.9
329.13754	3.1
341.13782	2.0
456.37451	0.4
531.33661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92110	0.1
53.03926	0.3
53.27273	0.1
55.01854	1.0
57.03421	0.2
57.12988	0.1
58.58425	0.1
61.02906	0.4
65.03909	0.2
69.03413	1.4
79.05461	0.9
81.03391	0.8
81.07031	0.8
82.10571	0.1
85.02884	3.7
89.06172	0.1
89.48828	0.1
91.03929	0.2
91.05460	4.2
93.07028	1.9
94.04165	1.5
95.04951	1.1
97.02874	1.1
99.04435	0.2
103.05447	2.4
105.03351	0.2
105.07008	6.3
107.04942	1.2
109.02853	0.3
109.06500	1.6
115.05430	3.1
117.07005	2.1
119.04925	0.8
119.08547	1.9
121.06474	2.9
122.03619	5.4
123.08056	0.2
127.03907	0.3
128.06192	0.9
129.07002	2.0
130.04152	0.3
131.04900	1.7
131.08516	0.2
132.05708	1.8
133.06459	5.4
135.04330	0.2
137.05952	100.0
138.06288	0.4
141.06961	0.2
143.04910	0.7
143.06017	0.6
144.05652	0.4
145.04979	0.6
145.06462	3.0
146.03612	0.6
147.04414	1.8
147.08041	3.3
149.05946	4.8
151.03893	0.3
151.07523	0.9
155.04866	0.9
155.05972	0.2
156.05643	0.6
157.06427	0.6
159.08008	2.3
160.05135	1.7
161.05940	14.7
162.06720	2.9
163.07527	1.3
165.06972	0.6
168.52097	0.1
171.07957	0.3
172.05107	1.0
173.05943	0.9
175.07507	23.2
177.05531	0.2
177.09093	0.8
178.07779	0.2
179.06958	0.7
179.08513	0.6
184.05132	0.2
185.05928	0.3
187.07500	7.2
189.06923	0.6
189.09128	0.7
190.07701	1.8
191.08514	6.4
191.10133	0.3
192.09155	0.2
193.06705	0.3
193.08553	4.3
195.08034	0.2
199.07527	3.0
202.07716	1.1
203.08522	2.8
205.06691	0.3
205.08528	2.2
207.08072	0.9
208.08817	0.6
217.08690	0.7
218.07257	1.6
219.08008	9.9
220.08780	1.9
221.05977	0.2
223.11200	0.2
225.09079	0.3
226.09875	0.4
229.07564	0.2
231.08002	3.4
232.08815	0.6
232.43687	0.2
233.05974	0.2
233.09558	0.3
235.07487	1.1
236.08223	2.0
237.09039	0.4
246.06638	0.2
247.07455	3.5
248.08243	1.8
249.09013	0.3
251.10612	13.7
253.08565	0.6
259.07382	1.8
260.08215	0.7
261.09061	0.7
263.07147	0.2
263.10620	1.8
264.07632	1.5
265.08420	1.1
269.11670	0.6
276.07681	0.6
277.08588	0.9
279.10083	7.7
280.10989	1.0
281.08032	1.0
281.11581	0.2
291.10104	3.9
292.10800	1.0
293.08234	0.2
295.09607	0.2
295.13153	0.3
296.10370	1.2
297.11060	0.3
308.10370	0.2
309.11346	1.2
311.12695	19.6
323.12714	8.0
329.13794	3.4
341.13788	6.6
341.17947	0.2
359.14801	0.7
403.02597	0.2
464.29907	0.2
503.18958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09039	0.4
52.46312	0.4
54.39432	0.4
54.81738	0.4
54.89605	0.4
55.01854	0.7
61.02910	0.8
61.37824	0.4
67.05479	0.5
69.03416	3.7
79.05461	0.9
81.03385	2.0
81.07048	2.2
85.02421	0.6
85.02892	9.6
91.05454	3.7
94.04169	2.2
95.04939	0.5
97.02868	2.6
99.04443	0.5
103.05441	2.3
105.07018	6.3
107.04924	1.8
107.08576	0.5
109.06491	2.9
111.04417	0.8
115.05429	4.8
117.06998	1.9
118.24590	0.6
119.04881	0.4
119.08551	2.8
121.06487	0.6
121.10125	0.5
122.03657	5.7
125.05955	3.1
127.03874	0.9
128.06187	1.6
129.06982	5.4
131.04915	2.9
132.05730	0.7
133.06494	4.4
135.04431	0.6
137.05960	100.0
141.05481	0.4
143.04884	5.2
144.05704	0.9
145.04942	0.8
145.06473	2.2
147.04417	1.8
147.08044	2.6
149.06003	1.7
151.03911	0.8
151.07578	2.0
153.05492	0.7
155.04889	1.8
156.05713	0.5
157.06467	3.4
159.08047	2.8
160.05179	10.6
161.05951	11.0
163.07478	3.3
172.05154	3.3
173.05920	0.5
175.07515	59.2
177.09108	0.6
186.06789	0.5
187.07510	23.8
189.06880	0.6
189.09096	4.7
190.07713	4.9
191.06982	0.5
191.08528	14.8
191.10147	0.8
199.07491	3.3
202.07704	2.0
203.08467	4.3
205.08560	6.4
207.07991	0.8
208.08829	1.7
211.07704	0.7
217.08549	2.3
218.07187	4.1
219.08011	17.5
220.08800	3.4
231.08031	5.0
232.08795	1.0
233.09723	0.6
235.07547	0.8
235.09608	6.5
236.08250	3.7
237.09102	0.5
239.07133	0.7
247.07458	8.3
248.08218	4.2
249.08989	0.7
251.10611	30.9
259.07556	2.1
260.08411	0.6
261.09048	1.1
263.10757	2.6
264.07870	2.8
265.08600	1.0
265.71780	0.5
271.09668	0.9
277.08618	0.9
279.10117	18.3
280.10898	1.9
281.08130	0.6
283.09512	0.9
291.10089	4.6
292.10852	0.9
296.10367	1.7
311.12720	37.4
313.14386	1.0
323.12683	6.5
329.13974	1.0
341.13663	5.4
440.96506	0.4
489.35150	0.5
517.35492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83799	4.1
55.01856	4.4
55.05264	4.2
55.05501	29.6
57.07063	33.0
67.05502	45.8
68.45587	5.0
69.07046	19.9
79.05467	28.9
81.03411	9.4
81.07018	47.1
83.04951	8.0
85.10173	57.8
86.75610	7.0
91.05463	41.1
93.07036	39.0
95.04934	22.0
95.08585	33.5
97.10133	5.0
101.57294	5.6
105.07038	12.3
107.04933	25.0
107.08575	9.3
109.10117	5.8
113.09622	55.8
115.63608	5.4
119.08568	12.4
121.10165	12.7
125.09560	5.2
126.01690	4.9
131.08559	5.2
133.10083	6.4
147.11681	19.0
149.09584	12.3
157.52911	5.2
165.12753	66.9
171.11662	6.6
175.50563	4.6
185.47495	5.1
207.13669	7.4
277.21606	88.6
295.22601	100.0
450.32773	6.6
512.50262	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	537.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01868	0.4
57.03432	0.5
61.02913	1.0
65.77810	0.1
69.03416	2.0
71.04977	0.2
73.02890	0.4
76.02213	0.6
77.03931	0.2
79.05463	0.1
81.03394	1.1
85.02890	8.6
86.71606	0.1
87.04454	0.1
91.03941	0.4
95.04955	0.8
97.02872	2.7
99.04440	0.2
101.05534	0.1
104.04974	2.3
105.04522	0.1
109.02850	0.7
114.03799	0.1
114.36625	0.1
116.01685	0.2
117.06949	0.1
124.64627	0.1
127.03884	1.3
127.13155	0.1
132.04414	0.2
137.05972	0.5
145.04941	1.8
151.03947	0.1
160.03816	1.4
163.05981	0.5
178.04962	100.0
179.05157	0.5
192.06482	0.1
196.06020	30.8
197.06264	0.1
226.97044	0.1
254.63617	0.1
340.10178	0.3
387.57825	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	537.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02584	1.4
53.03940	4.2
55.01861	4.8
55.05507	21.2
57.03424	2.1
58.99578	2.4
67.05495	38.2
68.05021	3.3
69.07053	17.8
71.04964	2.7
72.54552	2.1
79.05475	44.2
80.04991	3.1
81.03396	3.5
81.07043	100.0
82.06550	2.5
83.04966	4.3
83.08598	11.0
84.04478	4.3
91.05457	39.9
92.09319	2.1
93.07024	37.8
94.17550	1.7
95.04944	16.9
95.08579	32.3
96.04478	11.1
97.01122	2.8
97.06497	3.0
97.10171	2.6
98.00594	1.9
100.88752	2.0
105.07008	35.3
107.04954	12.1
107.08577	21.2
108.04465	20.4
109.06499	24.4
109.10150	12.7
111.08072	2.8
113.04267	2.5
114.03731	3.9
116.01637	4.0
116.10416	2.0
117.06983	8.8
119.08559	26.4
121.06499	3.1
121.10126	12.4
123.08065	4.1
123.11659	3.0
129.06998	3.8
129.40962	2.2
131.08524	18.5
131.10133	2.3
133.02885	2.0
133.10118	18.9
133.28268	1.9
135.08020	4.7
135.11656	4.5
136.03905	42.4
136.04890	2.7
137.09561	2.0
139.05750	4.7
139.74696	1.9
140.01643	3.2
140.87566	1.9
142.03217	31.8
143.08589	3.4
144.01082	3.4
145.10106	13.8
147.11678	18.4
149.09631	8.0
149.13161	2.4
151.11142	1.9
157.10179	2.7
159.11678	9.2
161.02383	2.2
161.13298	2.2
163.11192	7.9
165.12694	2.6
168.06035	2.4
170.02678	4.0
173.13277	7.7
175.11166	2.5
193.06093	25.6
211.07112	4.4
236.38626	2.3
245.05899	4.3
257.19009	8.1
275.20020	64.8
293.21042	16.0
372.64011	2.7
416.22400	10.6
434.23553	12.0
537.30341	17.1
539.16962	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	28.4
57.03419	28.8
57.07069	5.3
58.71086	3.1
60.78214	3.3
67.05492	76.0
69.07056	32.2
70.93086	3.2
71.04985	4.5
75.06830	3.4
76.33424	3.1
77.30115	3.8
79.05475	72.7
81.07041	88.2
83.08604	21.1
91.05448	36.5
92.63023	3.9
93.07021	100.0
95.04941	9.4
95.08586	40.8
97.06537	4.7
105.06994	21.4
107.08576	35.1
109.10136	7.3
117.07011	8.9
119.08580	8.0
121.10131	33.2
123.83567	4.3
131.08549	8.6
133.10104	5.8
135.11679	15.2
145.10086	4.4
149.13223	19.5
153.37076	4.0
159.11659	7.7
168.58566	3.3
189.04198	3.4
195.13817	6.5
233.18993	5.3
235.55026	4.3
242.79468	4.0
269.17398	29.4
307.22708	51.4
343.23297	4.1
346.65985	4.2
400.98276	3.8
501.35657	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.8
53.31172	2.7
55.01864	5.8
55.05503	67.4
57.03411	15.0
57.07062	42.1
60.17754	2.2
61.02903	15.5
67.05492	69.9
69.03405	3.8
69.07051	100.0
71.04960	10.9
71.08620	29.7
73.02889	3.6
75.64282	2.8
79.05479	39.9
79.72385	2.5
81.03383	4.2
81.07039	86.4
83.08125	3.4
83.08604	86.9
85.02875	14.5
85.06562	2.9
85.10161	10.7
85.32677	2.5
86.09682	5.6
88.63572	2.5
91.03945	4.1
91.05428	4.3
93.00421	2.5
93.07025	52.4
94.88487	2.7
95.08585	84.9
96.23774	2.7
97.02847	11.6
97.06501	18.0
97.10138	40.6
99.08060	3.9
104.10679	3.6
107.08579	36.4
109.10137	45.0
111.08038	5.8
111.11679	18.7
121.10107	76.8
122.06026	4.2
123.11701	12.3
125.09512	2.9
127.03898	3.4
135.11661	53.6
136.07558	18.7
136.90053	2.8
139.01428	3.2
149.13226	23.3
151.14810	3.8
163.14763	11.9
165.16264	3.6
167.98514	2.7
178.15794	5.4
198.08875	6.9
224.16374	6.8
247.24130	32.4
265.25201	80.1
283.26303	17.6
322.59018	3.0
339.28799	81.5
357.29883	43.7
409.29294	4.6
500.37396	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
54.82044	3.3
54.90116	2.7
55.05511	74.3
57.03426	17.8
57.07070	37.0
61.02912	17.1
67.05489	76.5
68.90414	3.1
69.03412	4.5
69.07053	95.6
70.06580	3.0
71.04988	7.2
71.08614	28.5
79.05479	50.9
81.03425	5.5
81.07044	89.9
83.08610	82.6
85.02901	23.5
85.10172	6.3
86.09702	14.8
87.95552	3.8
90.68330	3.4
91.05428	4.6
93.07027	64.7
95.04950	5.1
95.08588	100.0
95.09190	4.1
97.02881	13.1
97.06505	24.0
97.10138	49.0
104.10712	12.2
105.07044	4.1
107.08581	36.8
109.10146	57.6
111.08096	6.0
111.11728	8.3
117.48540	3.9
119.08545	5.0
121.10110	86.1
123.11712	7.4
125.00001	4.0
125.09596	4.4
131.08508	4.0
135.11681	43.3
136.07564	19.1
139.01550	5.9
140.22316	3.9
142.86914	3.8
149.13243	22.3
151.14810	4.8
163.14833	4.3
178.15976	5.1
184.07341	5.9
198.08897	5.1
213.53372	3.3
224.16521	7.2
245.21887	3.3
247.24211	33.0
247.26361	3.2
265.25208	71.2
283.26251	13.8
333.60208	4.2
339.28934	75.0
354.94754	3.4
357.29886	28.9
373.27228	13.6
391.28375	13.8
409.29346	13.8
418.90887	3.6
427.30627	7.8
517.93573	4.2
536.36481	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	536.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17722	1.5
53.03944	1.7
55.01873	2.6
55.05507	67.5
57.03437	14.6
57.07067	29.0
60.08152	7.6
61.02919	13.6
67.05491	63.5
69.03416	2.8
69.07059	93.2
71.04973	7.8
71.07349	2.8
71.08614	20.8
73.02889	2.7
73.24730	1.9
76.56058	1.6
79.05484	35.6
81.07042	75.9
82.59200	1.7
83.08605	70.2
83.86214	1.5
84.41402	1.7
85.02910	10.6
85.06513	1.9
85.10174	9.1
86.09695	40.0
88.17593	1.8
91.03965	1.8
91.05467	4.5
93.07025	51.8
95.04951	3.5
95.08587	76.5
97.02874	4.3
97.06523	16.9
97.10150	50.2
99.08087	3.0
104.10723	36.7
104.78095	1.8
105.07012	3.6
107.08581	32.4
109.10143	40.1
111.08085	13.9
111.11709	15.6
116.11751	1.8
119.08578	3.2
121.10132	60.4
122.06078	2.2
123.11695	10.8
125.00004	18.5
125.09581	2.6
127.03882	1.8
135.11676	55.4
136.07590	10.1
137.13219	3.7
139.01526	6.4
139.11154	2.6
145.10063	2.4
149.13235	17.8
151.14751	3.3
153.12660	2.4
163.14786	9.0
167.14243	1.8
177.16476	2.0
178.15889	4.5
184.07321	50.5
191.17944	2.2
198.08870	8.6
247.24135	31.2
265.25223	83.8
265.27893	4.0
275.20178	2.8
283.26276	13.6
315.19354	4.4
339.28891	100.0
357.29980	30.9
499.96133	2.1
510.71036	2.2
516.21741	1.9
518.37396	2.0
536.33606	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42514	0.5
53.67255	0.4
54.81708	0.4
55.05502	1.2
56.50807	0.4
57.07058	0.5
60.08151	10.0
60.10466	0.4
66.24632	0.4
67.05484	1.8
69.07043	2.2
71.04954	0.6
71.07356	3.9
79.05453	2.1
81.07029	2.0
83.08586	1.1
86.09692	53.1
86.36919	0.5
86.52562	0.5
89.83179	0.5
91.05453	2.1
91.61609	0.6
92.64143	0.5
93.07011	2.6
95.04964	0.9
95.08562	1.1
98.98469	3.4
101.72719	0.6
104.10732	5.5
105.06960	0.5
107.04923	0.5
107.08581	1.2
109.10165	0.6
112.99973	0.6
118.30805	0.5
119.04951	0.7
119.08612	0.7
122.63107	0.4
124.99982	34.5
136.07565	0.6
137.07823	0.5
139.01540	4.6
147.04376	1.0
163.11156	1.1
175.03857	3.9
184.07309	100.0
198.08861	4.6
207.06476	4.2
208.06825	1.1
224.74960	0.4
273.80267	0.6
275.19928	0.9
293.21036	2.6
354.72464	0.6
518.35803	1.0
536.36902	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	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.7
55.05504	25.7
57.03423	6.7
57.07072	13.7
60.08146	1.9
61.02919	3.1
61.30164	1.3
62.30991	1.4
62.78092	1.2
67.05488	26.3
69.03393	2.6
69.07059	35.9
69.39705	1.4
70.87080	1.4
71.04969	7.0
71.08614	8.7
71.22531	1.4
75.04467	2.1
79.05468	12.9
81.07033	29.8
83.08600	28.7
85.06449	1.7
85.10158	3.2
86.09685	15.4
89.06029	2.7
91.03967	1.5
91.05476	1.9
93.07028	15.0
95.08590	38.0
97.06486	6.3
97.10135	17.4
98.09660	2.4
99.08050	2.3
103.37288	1.8
104.10719	7.9
107.08572	9.4
108.08120	2.0
109.10134	15.3
111.08080	3.2
111.11694	6.6
119.08459	1.6
121.10115	20.2
122.05999	11.6
123.11694	3.5
124.99950	2.8
135.11681	15.5
136.07533	16.2
139.01540	8.3
140.07043	3.2
149.13300	9.5
160.70490	1.6
161.82127	1.6
177.16180	1.6
178.15895	11.5
184.07396	12.0
198.08902	9.5
224.16431	3.9
244.13063	2.7
247.24208	10.6
265.25220	30.8
283.26202	3.2
299.87756	1.9
315.19232	4.0
339.28842	38.0
357.30069	14.4
518.38208	8.6
536.33301	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	536.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84703	2.4
53.03926	8.6
54.81605	2.0
55.01861	11.9
55.05503	61.1
57.03406	2.7
57.07056	2.5
57.11363	1.7
60.08142	11.3
66.93013	1.8
67.05489	49.0
69.07057	20.1
71.04958	8.8
71.07353	2.4
79.05477	51.9
81.03390	23.3
81.07038	56.5
81.56757	1.8
83.04962	12.1
83.08602	42.6
85.06508	3.3
86.09691	53.0
91.05452	34.7
93.07021	54.5
95.04948	57.5
95.08582	47.6
97.02854	2.1
97.06511	9.3
97.10155	10.6
98.98433	2.2
99.04430	2.9
104.10711	2.8
104.69270	2.0
105.07015	43.1
107.04953	27.9
107.08578	43.1
109.06519	11.1
109.10136	10.0
111.08059	8.0
117.06979	15.7
119.08549	35.2
121.06475	12.5
121.10123	26.4
122.05971	1.9
123.08047	3.5
123.11677	1.7
124.99982	23.0
125.05935	1.8
125.09579	8.4
128.63841	1.8
129.06969	3.8
131.04948	1.9
131.08539	17.5
133.10098	20.9
135.08038	4.4
135.11661	36.2
136.07561	2.7
137.09564	3.6
139.01563	14.3
139.07498	2.3
143.08543	3.4
145.06432	2.0
145.10112	45.4
147.11649	12.9
149.09583	31.1
151.11182	4.0
155.08528	8.9
155.96069	2.0
157.10068	3.3
159.11667	7.6
161.13234	4.0
163.11153	72.5
165.12738	4.2
169.10094	2.5
173.09625	10.1
173.13335	2.3
175.11156	2.9
181.12183	3.1
183.11841	2.0
184.07292	80.7
187.11131	2.6
189.11223	3.0
198.08852	20.8
223.13258	25.3
227.12741	78.5
239.17830	4.3
257.19092	3.1
275.20001	85.0
293.21063	100.0
536.36835	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.8
53.03943	1.4
55.01861	5.0
55.05503	12.7
57.03429	10.7
61.02910	6.6
62.83611	0.9
64.33247	1.0
67.05492	24.8
69.03405	4.5
69.07053	29.4
71.04971	1.6
71.08250	1.9
71.08617	36.2
79.05473	46.4
81.03406	22.4
81.07038	25.1
83.04956	6.3
83.08582	1.7
83.86568	1.0
84.71657	1.1
85.02882	6.7
86.09676	2.7
86.64861	0.9
87.10068	1.4
91.03901	1.3
91.05450	22.8
93.07022	37.7
95.04945	7.5
95.08577	13.7
95.46059	1.3
97.02835	2.3
97.06508	8.9
99.08074	26.0
105.07042	9.0
107.04942	5.3
107.08583	16.1
109.10142	6.2
111.08078	1.5
113.32137	1.1
117.06989	8.9
119.08523	14.6
121.06445	1.5
121.10120	43.9
123.08063	2.5
124.99992	1.6
125.05958	1.8
125.09570	1.6
131.08553	9.6
133.10149	8.0
135.08080	1.6
135.11684	2.4
137.09572	6.8
139.11134	5.6
143.06996	9.2
145.10088	2.6
147.08020	1.2
149.09578	7.3
151.07430	1.2
159.11699	1.4
165.09073	8.6
167.10646	1.5
177.09122	1.2
184.07317	10.1
185.07616	1.6
191.17921	2.2
199.09615	1.9
201.16281	1.3
203.17905	1.5
219.17455	2.0
239.12746	2.6
241.14395	1.3
247.16888	7.0
257.13733	6.3
265.17911	4.1
302.59839	1.2
321.20462	1.9
339.21606	100.0
501.26724	1.9
536.28986	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	536.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16692	0.4
53.00298	0.5
53.03916	2.4
55.01863	8.4
55.05238	0.8
55.05503	22.6
56.16837	0.4
57.02972	0.4
57.03428	8.7
57.07063	0.7
60.53064	0.4
61.02910	5.1
64.32992	0.4
65.03917	0.5
67.05487	20.4
69.03423	4.2
69.06730	0.5
69.07056	10.9
71.04965	3.0
71.08611	0.8
73.02888	1.0
76.03235	0.4
79.05471	26.5
79.40217	0.5
81.03396	5.3
81.07037	26.4
83.04971	4.5
83.08601	24.2
85.02885	7.6
85.06538	0.8
87.90918	0.4
91.03914	1.8
91.05450	21.1
93.07020	33.1
95.04950	9.7
95.08009	1.0
95.08584	20.5
97.02885	3.4
97.06499	5.2
97.10117	1.0
99.04429	0.9
99.08083	0.8
103.03916	0.8
105.07005	15.8
107.04200	0.6
107.04929	14.1
107.08572	20.3
109.06487	6.8
109.10129	7.8
111.08060	6.4
113.09589	0.6
115.05432	0.6
117.06995	16.3
119.04897	0.5
119.08557	15.1
121.06480	9.8
121.10119	11.9
123.08047	7.2
123.11685	2.3
125.09567	3.1
127.03883	1.0
128.06250	0.8
129.05420	0.9
129.06958	2.6
131.08543	15.4
133.06448	3.2
133.10095	9.6
135.08026	24.6
135.11661	5.0
137.05957	0.6
137.09601	6.6
139.11134	1.2
141.06923	2.1
143.07054	0.7
143.08516	3.9
144.19383	0.5
145.05003	0.6
145.06461	4.2
145.10110	13.8
147.08000	3.0
147.11662	3.8
149.09598	30.2
149.13210	1.9
151.07487	1.2
151.11147	3.4
153.09045	0.7
155.08511	2.5
157.10092	2.3
159.08028	1.9
159.11673	8.1
161.09575	2.9
161.13234	0.9
163.07480	3.4
163.11125	13.2
165.09041	2.3
167.10709	0.7
169.08572	3.4
169.10095	7.3
171.11583	0.6
173.09639	1.8
173.13257	2.6
175.11195	2.0
177.09062	4.9
177.12740	2.2
177.16319	0.6
181.08536	0.7
183.11665	1.8
185.11705	1.2
185.13255	2.9
187.11128	3.2
187.14699	5.1
189.12743	0.6
191.97614	0.6
201.16351	5.4
203.14127	0.6
205.15779	0.7
211.14798	3.9
219.17337	3.9
229.15831	12.0
247.16876	17.5
265.18011	3.0
271.31854	0.5
321.20554	17.5
321.24054	1.1
339.21591	100.0
501.26794	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01862	11.4
55.05505	24.5
57.03430	7.7
61.02918	8.5
65.03922	1.1
67.05492	23.6
69.03411	5.9
69.07058	26.6
69.18873	1.0
71.04959	1.5
73.02901	1.7
77.21024	0.9
79.05476	37.9
80.68164	0.9
81.03394	10.6
81.07040	87.7
83.04975	6.1
83.08603	30.0
85.02891	10.9
85.06534	1.6
91.03930	3.8
91.05460	30.6
92.08745	1.6
93.07027	33.3
95.04945	15.1
95.08579	23.7
97.02867	9.7
97.06504	7.6
99.04443	2.5
99.08071	1.9
103.03952	2.1
105.07005	16.8
107.04939	21.4
107.08573	17.4
109.06503	44.8
109.10144	12.0
111.08080	5.1
117.07008	13.9
119.08549	22.9
121.06470	10.3
121.10119	15.0
123.04449	2.1
123.08043	9.4
125.09583	1.6
127.03905	4.9
129.07019	2.3
131.08534	18.9
133.06451	5.7
133.10077	8.9
135.08028	18.9
135.11681	2.4
137.09599	19.2
139.11179	2.0
141.06950	1.2
143.08575	1.5
145.04898	1.2
145.06488	4.5
145.10109	12.6
147.08066	2.4
147.11707	2.5
149.09593	34.7
149.10719	1.8
151.07513	2.5
151.11185	4.7
159.08034	1.1
159.11682	4.8
161.09589	5.0
163.06133	1.1
163.07503	5.8
163.11105	16.6
165.09096	2.3
169.08589	4.1
169.10094	2.5
173.09613	2.1
173.13266	1.3
174.56302	0.9
177.09094	5.1
177.12703	1.5
179.10649	1.6
185.11707	6.5
185.13177	1.4
187.11205	1.9
187.14803	2.1
201.16289	2.4
211.14925	2.0
216.01402	1.1
219.17404	2.6
229.15942	6.6
247.16913	20.7
265.17929	6.2
321.20538	100.0
339.21597	75.3
357.80228	1.2
518.92242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43732	0.4
51.93187	0.4
53.03942	0.8
54.67683	0.4
55.01861	2.1
55.05308	0.5
55.05507	7.9
56.05037	0.4
57.03427	1.0
57.94280	0.5
58.99572	14.5
59.55028	0.4
59.56641	0.4
63.45380	0.5
64.01070	0.4
64.50749	0.4
67.05481	7.2
69.03409	2.1
69.07058	2.2
70.06559	2.0
71.04964	0.8
73.84750	0.4
74.00649	2.1
76.02207	100.0
76.03976	3.6
79.05481	7.3
80.04969	0.7
81.03398	26.1
81.07034	8.8
83.04967	11.6
83.06083	2.4
83.08605	6.9
84.04484	25.4
85.02899	1.0
85.04023	2.1
86.99031	4.3
88.02185	1.0
91.05465	8.5
93.07005	4.5
95.04943	10.4
95.08585	2.9
97.01112	0.7
97.02863	1.0
97.06516	1.1
97.10146	0.8
102.05531	0.8
105.07023	5.9
107.04964	2.2
107.08572	2.0
109.06487	1.2
109.10110	0.9
111.04456	0.7
111.08068	4.2
112.03955	0.7
114.03718	0.7
114.36276	0.5
116.01653	28.7
119.08547	5.8
121.10119	2.1
123.07983	0.7
124.66136	0.5
125.09579	0.8
129.06941	2.9
130.04977	15.6
131.04546	0.9
131.08530	3.5
133.10106	4.0
137.05957	1.0
137.09616	0.7
142.03192	10.8
142.07809	0.9
144.01120	14.4
145.10132	0.8
147.07999	0.5
147.11664	4.7
149.09599	3.1
157.10094	3.7
162.02165	40.1
165.12697	0.5
166.70470	0.5
170.02640	4.0
175.11116	5.3
177.03210	4.8
179.04817	42.5
185.03818	0.6
187.05289	2.5
193.12206	12.1
211.13246	18.9
215.04884	2.2
216.03191	0.6
233.05865	11.8
241.04430	0.5
245.05927	3.1
250.12419	0.7
268.13782	1.0
274.02493	0.6
290.07916	0.7
291.06473	1.9
308.09042	57.0
314.73013	0.6
518.21655	0.9
535.23438	3.2
536.23798	3.4
540.02399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23189	0.2
55.05492	0.6
56.86903	0.2
57.03422	1.3
57.05856	0.2
58.76428	0.3
58.76749	0.3
60.82732	0.3
67.05495	2.3
69.07053	0.4
75.32896	0.3
79.05477	2.1
81.03407	3.3
81.07043	2.1
83.04980	0.5
83.08616	0.7
85.02895	3.8
91.05461	2.3
93.07005	2.1
95.04955	1.3
95.08573	1.4
97.06511	0.3
105.07004	2.3
107.04886	0.3
107.08587	0.5
109.06510	0.4
111.08070	0.5
119.08562	1.1
121.10161	0.4
123.08073	0.4
129.06963	0.5
131.08510	0.7
133.10081	0.7
137.06013	0.3
147.11668	0.7
149.09607	0.7
157.10156	0.8
175.11168	1.3
184.07330	0.6
193.02769	0.3
193.12259	0.7
250.62270	0.3
251.12511	8.6
280.43930	0.3
285.16910	1.2
291.45172	0.3
307.15140	6.3
461.78629	0.3
535.28699	100.0
536.29279	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.6
53.03911	0.4
55.01847	2.1
57.03428	18.2
59.04983	4.2
60.04515	2.7
61.02907	2.9
67.05456	0.6
69.03412	55.6
70.06581	0.8
71.01292	0.6
71.04932	0.5
73.02884	2.4
74.91357	0.4
75.04449	4.1
76.55669	0.5
81.03393	2.4
81.07041	0.5
83.04965	1.6
84.04480	0.8
85.02885	42.6
87.04445	32.7
89.03889	0.5
91.03953	0.6
91.05453	13.5
95.04927	1.7
97.02865	42.0
99.04422	2.2
101.02338	0.5
103.03897	1.0
103.05440	0.8
107.04941	0.5
108.04430	0.5
109.02830	0.7
111.04396	0.6
115.03906	29.8
117.07033	0.5
118.04119	2.1
119.04912	27.9
121.06410	0.7
123.04423	2.1
127.03869	3.9
131.04883	0.6
132.02036	0.7
133.02797	0.7
133.04930	28.4
135.04346	1.5
136.12610	0.5
137.05919	4.8
138.05496	0.4
144.06531	1.4
145.02762	0.8
145.04942	3.6
145.06355	0.4
147.04379	29.2
149.02293	0.7
150.07568	5.3
151.03850	0.6
151.05899	0.5
157.03937	2.5
161.05873	0.4
162.07596	0.9
163.03841	0.6
163.07411	0.4
164.04628	2.4
166.03175	0.5
166.37407	0.4
167.03525	0.5
169.04874	0.6
171.11510	0.4
175.03860	52.3
177.01868	0.5
177.05438	4.3
179.06964	2.5
180.08658	3.6
182.02275	0.4
191.06932	0.6
192.04138	13.9
193.04872	0.6
195.06442	0.6
204.40219	0.4
205.08566	0.7
207.06482	100.0
225.07524	42.3
229.07045	0.6
241.07109	0.7
259.08099	0.7
312.12802	1.9
339.10559	0.6
422.06497	0.4
505.84317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.81674	0.7
55.01847	1.3
55.05505	23.5
56.90821	0.9
57.03425	6.7
57.03663	0.9
57.07072	9.9
57.42299	0.6
59.18718	0.7
61.02915	8.6
65.03932	1.4
67.05493	84.0
69.03405	1.4
69.07055	29.9
69.42382	0.6
70.53307	0.6
71.04980	1.4
71.08604	6.1
71.20469	0.6
73.02879	2.8
74.51183	0.7
74.91488	0.7
79.05054	1.5
79.05479	26.4
81.03375	1.3
81.07040	100.0
83.04972	3.4
83.08612	18.0
84.26503	0.7
85.02892	8.7
85.06530	1.7
85.10165	3.2
91.03933	1.6
91.05451	20.1
93.07023	29.6
95.04923	1.3
95.08587	82.3
97.02867	1.4
97.06499	6.8
97.10153	9.6
99.08056	1.7
105.07009	13.1
107.08582	19.4
107.43150	0.8
109.10148	41.8
111.08061	4.3
111.11711	3.6
113.09657	1.2
119.08574	12.3
120.72180	0.7
121.10112	22.2
123.11687	15.9
125.09574	1.2
125.13103	0.7
131.08517	1.3
131.87927	0.9
133.10121	16.6
135.11671	11.4
137.09579	1.5
137.13261	7.1
139.11159	0.9
141.12727	1.5
147.11681	12.3
149.13290	8.9
151.14774	3.1
153.12727	1.0
155.14240	1.2
161.13219	12.0
163.14766	6.6
164.82133	0.8
165.12730	1.1
165.16345	4.7
175.14774	7.8
177.16353	0.9
179.14421	0.9
179.17911	5.2
189.16322	2.9
193.15753	0.7
203.17892	1.7
203.94405	0.7
217.19467	1.0
245.20154	1.5
245.22586	38.7
263.23648	50.6
265.25250	1.1
281.24796	1.3
317.24823	1.1
337.23584	1.4
337.27295	22.8
355.28247	4.2
407.27716	1.0
468.71558	0.9
496.39685	0.8
545.41785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83274	2.8
53.03942	14.1
55.01870	11.7
55.05508	54.3
57.03430	3.1
59.50887	2.6
60.12635	3.3
61.44516	2.6
67.05494	70.5
69.07062	24.7
77.67608	2.9
79.05477	65.1
79.67069	2.6
81.03392	25.4
81.07043	63.1
83.04973	15.3
83.08616	40.0
91.05470	72.5
91.70317	2.8
93.07024	79.5
95.04946	66.1
95.08591	39.1
97.06513	11.9
97.10159	4.1
105.07020	60.2
107.04946	23.3
107.08585	34.8
109.06515	17.4
109.10162	12.3
111.08089	6.5
117.07027	20.2
119.08569	37.0
121.06519	6.8
121.10127	22.9
123.08077	6.0
123.11719	3.7
125.09615	4.0
129.06984	12.6
131.08592	20.0
133.10146	35.8
135.07993	5.1
135.11714	12.6
137.09634	4.5
141.06984	3.1
143.08609	7.0
145.10081	38.5
147.11670	42.5
149.09616	30.9
156.57947	3.0
159.11713	14.6
161.09608	4.2
161.13208	6.3
163.11151	46.6
165.12662	3.9
169.10118	4.5
171.11673	17.5
173.09656	4.5
175.11133	3.1
183.11586	3.5
207.13788	31.1
219.17516	5.1
223.13298	12.6
239.17876	5.6
252.59142	3.2
256.26279	3.8
257.19016	4.7
275.20035	100.0
293.21066	62.0
329.70053	2.9
373.80566	3.2
477.11142	3.5
496.73294	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	534.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.1
53.03939	1.3
55.01867	7.7
55.05504	21.9
57.03426	5.3
57.07067	20.3
61.02911	10.8
65.03940	1.1
67.05493	82.3
68.05017	1.0
69.03410	1.5
69.07055	30.2
69.29360	0.8
70.06583	1.1
71.04977	7.8
71.08604	8.5
73.02901	3.2
79.05008	1.1
79.05473	31.3
79.71049	0.8
81.07039	100.0
83.04949	3.0
83.08602	22.7
84.55777	0.7
85.02881	9.6
85.06546	4.4
85.10158	3.5
86.09697	1.0
91.03943	1.8
91.05459	31.3
93.07024	36.4
95.04961	1.8
95.08586	80.6
96.08125	1.4
97.02857	3.5
97.06516	17.0
97.10147	18.6
98.09680	1.2
98.24271	0.8
99.08084	4.3
105.07008	20.9
106.06556	0.9
107.08577	21.2
108.08128	1.9
109.10139	42.2
111.03192	0.8
111.08095	6.4
111.11710	3.5
113.09606	1.0
117.06988	1.1
117.93276	0.8
119.08566	26.0
121.10113	22.1
122.06024	9.1
123.08074	1.4
123.11682	15.7
124.07578	5.0
125.09612	0.9
127.11193	1.8
131.08551	1.3
133.10109	32.0
135.11661	11.4
136.07553	10.8
137.09605	3.3
137.13260	4.0
139.11172	0.8
140.07060	3.9
141.12741	3.3
147.11682	13.8
148.11205	1.0
149.13228	7.6
151.11179	1.1
151.14825	3.4
152.75597	0.8
153.08000	1.0
161.13222	25.6
163.14812	11.4
165.16373	5.0
175.14790	9.5
176.14453	1.8
177.16321	1.1
178.15878	4.3
179.17928	9.7
181.15874	1.1
189.16399	4.0
198.08925	1.5
203.17957	1.3
204.13792	1.6
217.19406	1.4
222.14917	9.6
224.16412	1.0
245.22586	53.6
263.23639	74.3
273.68231	0.9
281.24738	0.9
287.57349	0.8
337.27286	8.7
355.28384	12.4
498.35580	5.1
516.36786	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	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01845	0.8
55.05504	26.3
55.63437	0.5
57.03431	9.8
57.07069	11.8
58.23089	0.6
60.08157	1.1
61.02917	7.7
65.03937	1.2
67.05492	90.9
69.03413	1.4
69.07055	32.9
71.04974	1.4
71.07372	0.6
71.08616	7.2
73.02908	2.5
75.04481	1.1
79.05476	26.0
81.07038	100.0
83.04974	3.6
83.08603	22.6
85.02893	7.5
85.06532	1.4
85.10194	2.7
86.09688	8.8
91.03936	1.4
91.05466	19.7
91.06012	1.2
92.09280	0.8
93.07027	31.3
95.04962	1.1
95.08586	87.5
97.02868	4.9
97.06524	7.2
97.10153	12.9
99.08066	2.7
104.10735	5.5
105.07020	13.9
107.08572	17.3
109.06469	0.8
109.10140	40.0
111.08073	3.9
111.11748	2.8
113.09643	1.4
117.06998	0.7
119.08553	12.3
121.10125	19.2
123.11691	15.5
125.00014	3.5
125.09567	0.7
125.45280	0.6
127.11225	0.6
133.10094	18.2
135.11685	7.9
137.13245	6.2
139.78137	0.6
141.12730	0.9
147.11653	10.9
149.13258	6.2
151.11174	0.8
151.14835	4.1
155.14337	0.7
161.13206	13.9
163.14786	8.0
165.12669	0.7
165.16342	5.7
167.14313	0.7
175.14787	8.9
177.16385	1.1
179.17947	3.6
181.15775	0.7
184.07294	9.1
189.16338	3.1
203.18037	1.3
217.19556	0.7
245.22598	34.9
246.60416	0.6
263.23642	46.1
265.25247	0.8
281.24725	1.1
329.49423	0.7
337.27313	32.6
355.28366	4.7
534.34796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58865	0.6
53.03933	2.7
54.81683	0.6
55.01869	4.9
55.05505	7.7
57.03429	13.6
58.34571	0.6
61.02908	0.8
64.33341	0.5
67.05146	0.8
67.05492	18.3
69.03410	3.6
69.07055	8.3
69.79999	0.6
71.04962	4.1
79.05051	1.0
79.05470	17.4
81.03398	100.0
81.06597	1.0
81.07039	18.6
83.04967	7.8
83.05403	1.0
83.08601	7.7
85.02890	11.9
86.09677	0.6
91.05457	36.4
93.07022	17.8
95.04950	13.3
95.08583	16.6
97.02872	4.0
97.06500	3.9
97.10143	1.3
99.04443	1.2
102.62599	0.6
103.03918	3.0
103.05465	0.9
105.07011	14.4
107.04942	7.0
107.08559	4.1
109.02836	0.7
109.06489	3.9
109.10149	7.5
111.04419	0.7
111.08038	4.3
113.05991	1.0
115.05486	0.7
117.07004	5.1
119.08562	33.1
121.06492	10.2
121.10149	5.1
121.10887	0.5
123.04408	0.8
123.08053	7.1
123.11655	0.6
125.09608	1.0
127.03856	2.6
129.06984	6.5
131.04897	1.0
131.08562	5.4
133.06458	1.1
133.10135	5.7
135.08015	1.2
137.05920	0.9
137.09592	17.4
142.07840	0.8
143.08540	1.0
145.04903	1.1
145.06468	1.2
145.10130	1.1
147.04434	0.8
147.08032	6.1
147.11642	5.2
149.05969	1.0
149.09583	3.2
151.07483	1.1
151.11197	1.0
157.06465	0.8
157.10085	5.9
159.08041	0.7
159.11806	0.7
161.05913	1.1
161.09636	1.0
163.06021	1.1
165.09097	11.3
165.12706	0.9
171.07957	0.6
175.11165	4.5
175.14955	0.8
183.10013	0.8
184.07285	0.8
185.09473	0.8
191.10632	0.7
193.12213	8.9
199.11311	0.8
211.13214	4.3
227.10616	3.7
229.27531	0.6
239.12740	31.2
245.15356	1.1
257.13770	3.5
258.42151	0.6
267.15839	18.3
273.14874	1.0
285.16949	4.9
311.19861	0.7
313.17935	1.3
319.18784	0.7
321.18472	1.2
337.19897	4.9
339.19434	5.9
357.20575	6.4
405.22958	4.5
413.23007	1.1
431.24246	20.5
449.25278	20.3
463.23022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81772	0.1
55.01859	0.1
55.05516	0.2
56.05022	0.6
58.06610	0.2
60.08153	9.0
60.08459	0.3
61.98281	0.1
67.05498	0.3
69.07052	0.1
70.06595	0.1
71.07355	3.5
71.08616	0.3
79.05477	0.2
81.07027	0.2
82.59172	0.1
82.92401	0.1
86.09691	47.7
91.05486	0.3
91.63806	0.1
93.07025	0.6
95.08567	0.2
98.98446	3.5
99.08099	0.2
104.10735	4.9
105.07001	0.2
111.90112	0.1
116.51964	0.1
124.99979	33.6
130.68576	0.1
140.20235	0.1
143.01027	0.8
184.07307	100.0
273.29236	0.2
279.86404	0.1
287.25089	0.2
516.30481	0.8
534.31909	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	534.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
56.05011	1.3
57.03410	1.4
58.06591	0.8
60.07863	1.1
60.08150	22.2
67.05478	6.3
69.01072	0.8
69.07041	2.0
70.67490	0.7
71.07346	10.0
71.08622	1.3
73.80227	0.8
79.05479	2.0
81.03394	2.0
81.07039	9.1
83.08587	1.8
86.09687	75.3
86.52035	0.8
91.05448	4.8
93.07008	5.3
95.04932	1.8
95.08606	4.5
98.98441	4.1
99.08060	0.9
104.10721	100.0
105.07020	2.0
105.71282	0.8
107.08573	1.5
109.10125	1.9
119.08547	1.4
121.10106	1.1
124.99977	44.4
129.07037	0.9
133.10088	1.4
135.08003	1.0
135.11636	1.3
137.09644	0.9
154.12209	2.0
171.14861	1.0
171.88637	0.8
174.96849	0.9
184.07300	91.8
185.11559	0.9
231.83391	0.8
289.34763	0.9
300.26779	0.9
302.92575	0.9
516.30487	4.7
534.31799	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.7
53.03931	4.5
55.01868	7.3
55.05505	12.6
57.03428	22.6
57.07047	0.8
61.02903	3.2
62.60664	0.7
67.05489	38.9
67.05849	1.5
69.03414	8.4
69.07053	59.5
71.04980	3.5
73.02902	2.1
73.06545	1.0
79.05000	1.1
79.05472	50.3
81.03397	100.0
81.07037	34.1
81.92038	0.8
83.04940	7.4
83.08603	8.9
85.02416	1.2
85.02890	16.5
85.06528	1.1
86.43635	0.8
91.05456	64.0
91.48753	1.0
93.07021	37.7
95.04948	20.8
95.08581	22.9
96.77261	0.9
97.02865	15.3
97.06521	13.3
97.10130	1.5
103.03916	1.7
103.05465	1.2
105.07016	22.7
107.04928	13.7
107.08571	15.4
108.89064	0.8
109.02916	1.0
109.06477	6.1
109.10159	11.5
111.08062	4.5
115.05446	1.1
117.06992	11.0
119.03394	0.8
119.04815	0.9
119.08549	54.1
119.09401	2.0
121.06480	10.3
121.10119	27.1
123.04388	0.9
123.08050	6.3
123.11685	1.7
125.05995	1.4
125.09558	1.1
128.06181	1.9
129.06975	14.6
131.08539	28.4
133.06476	5.6
133.10095	13.3
135.08038	4.9
135.11702	1.0
137.09595	22.2
137.11369	0.9
141.06880	1.1
142.07768	2.1
143.07018	10.2
143.08516	8.5
145.06470	1.9
145.10072	6.1
147.08040	16.4
147.11655	6.9
148.33678	0.9
149.09595	12.3
151.07542	1.3
151.11180	1.8
154.09528	0.9
157.06422	1.3
157.10091	14.2
159.08060	1.2
159.11739	1.4
161.09576	3.4
161.13277	2.0
163.07469	1.1
165.09070	17.7
165.12730	1.1
170.10780	1.1
175.11154	5.0
177.09061	1.9
183.10155	1.1
185.09505	1.6
189.09023	1.6
189.16368	2.1
191.10712	1.2
193.12219	9.6
195.10098	1.9
199.14771	6.6
201.16389	1.0
211.13293	4.4
217.15866	4.5
227.10550	1.3
239.12737	30.5
245.15340	5.6
257.13699	6.1
263.16446	4.1
267.15872	22.2
273.14868	1.0
285.16937	5.6
312.06573	1.1
319.18970	1.4
337.20029	87.6
339.19482	5.7
357.20532	5.7
389.19785	1.4
405.22379	4.3
413.23236	1.1
431.24210	19.9
449.25348	17.6
499.25317	1.6
533.86493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.00997	0.7
55.01854	1.5
55.05294	0.7
55.05505	10.0
57.03426	1.5
57.07047	1.5
61.02913	1.2
67.05499	9.7
69.03417	6.9
69.06718	1.2
69.07057	27.4
71.01326	0.8
71.04970	1.5
71.08645	0.7
73.02879	0.9
76.36468	0.7
79.05472	12.5
81.03395	6.7
81.07038	21.4
83.04924	1.1
83.08609	10.8
85.02897	22.9
85.06565	0.9
87.04427	1.1
91.05460	9.9
93.07027	26.6
95.04947	1.9
95.08584	35.4
97.02882	10.2
97.06537	1.9
97.10131	2.0
99.04440	15.6
103.03923	21.1
103.05415	0.9
105.07009	22.3
107.08576	38.0
109.02862	5.1
109.06503	3.5
109.10138	14.9
117.06973	1.2
118.06522	1.0
119.08565	30.5
121.10122	36.5
123.11711	1.1
127.03886	21.2
131.08542	2.0
133.10106	14.1
135.11668	14.7
137.05989	1.1
139.74054	0.8
143.08488	0.8
145.04935	7.5
145.10071	1.5
147.11693	8.5
149.13264	10.7
159.11543	0.9
163.05984	5.9
164.33751	0.8
175.14787	97.2
177.16351	100.0
179.05441	1.1
193.15875	3.2
245.15427	1.2
256.57837	0.7
307.10175	1.2
337.19958	1.5
414.36386	1.1
478.39224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	0.7
53.03935	3.4
53.20354	0.8
55.01867	17.5
55.05499	9.6
57.03432	11.8
57.07070	0.9
61.02921	6.2
61.34219	0.7
64.84444	0.7
67.05492	27.4
68.99763	1.6
69.03417	3.7
69.07059	7.9
71.04998	0.9
73.02892	2.0
79.05008	0.8
79.05474	39.9
81.03407	13.3
81.07039	91.2
83.04965	3.4
83.08588	3.4
85.02892	8.7
85.10165	0.9
87.00809	6.6
91.03937	3.3
91.05460	18.7
93.07025	24.4
95.04929	9.3
95.08586	100.0
97.02870	4.0
97.06512	3.5
99.08061	3.4
103.03922	1.4
103.05457	3.3
105.07014	23.7
107.04941	14.0
107.08573	5.5
109.06485	5.4
109.10136	2.0
111.04487	0.9
111.08060	4.7
115.05424	1.6
117.06982	5.9
119.08546	11.7
121.05611	1.1
121.06480	28.1
121.10107	3.2
123.04456	1.5
123.08045	76.2
125.09594	3.3
129.05447	1.8
129.06963	2.0
131.08543	5.4
133.06439	9.7
133.10092	6.5
135.08052	5.0
135.41238	0.7
137.09578	4.3
139.07520	1.7
141.09048	6.9
143.08531	3.8
145.06459	0.8
145.10133	1.5
147.08051	4.4
147.11632	1.9
149.05965	11.2
149.09639	3.7
151.07516	29.2
157.04993	1.6
157.10075	5.7
161.09602	6.9
163.07501	1.5
163.48134	1.0
165.09116	4.6
167.06992	3.3
169.45261	0.8
173.13182	1.3
179.10632	1.3
181.08636	0.9
183.10104	7.2
184.07303	1.7
185.07814	1.1
185.09535	1.4
185.13203	1.3
189.09048	1.4
193.12187	0.8
195.10085	1.9
197.11658	1.3
199.14891	1.5
215.72012	0.9
217.15855	3.3
225.11183	50.1
227.14243	1.4
235.16893	1.2
239.12885	1.1
241.10657	1.4
243.12228	8.6
245.15509	5.8
257.13776	1.4
263.16318	4.7
282.74210	0.8
319.18903	7.2
337.20050	51.0
355.21060	1.1
371.26807	1.0
389.19489	1.0
425.21408	0.9
449.24899	3.5
499.25229	4.6
509.76099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01859	1.3
55.05509	4.8
57.03421	2.5
58.33329	0.4
61.01009	0.4
61.02900	2.9
67.05479	3.1
69.03419	13.7
69.06713	0.7
69.07056	13.3
71.04974	8.7
73.02905	4.9
79.05473	2.4
79.06381	0.5
81.03400	18.8
81.07037	6.9
83.04959	0.9
83.08601	3.4
85.02890	63.4
85.06510	0.6
87.04457	1.9
91.05463	4.2
93.07024	6.8
95.04932	2.2
95.08585	8.4
96.90476	0.4
97.02869	34.2
99.04435	50.1
99.08070	0.9
103.03922	76.6
105.07018	14.2
107.08564	9.3
109.02151	0.9
109.02863	20.8
109.06498	3.2
109.10129	3.8
111.08060	0.6
115.03843	0.6
117.07016	0.9
119.08562	57.3
121.10099	6.3
123.08080	1.1
123.11677	3.0
127.03893	87.5
131.08549	2.2
133.10107	69.2
135.07951	0.6
135.11673	9.9
137.05911	0.9
137.09563	2.6
145.04941	32.7
145.10098	3.2
147.11693	7.5
149.13274	0.9
159.11743	0.8
160.12508	0.9
163.05997	20.6
169.05017	0.8
173.13223	2.1
175.14789	100.0
177.16306	0.9
187.06027	2.3
191.14288	0.8
193.15848	22.7
205.07108	1.1
213.04564	0.5
233.56796	0.5
271.08035	3.8
289.09100	4.6
301.17682	0.8
307.10077	6.9
339.94711	0.5
349.38214	0.5
481.71060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
55.01864	1.5
55.05505	5.4
57.03439	1.7
57.07064	0.9
61.02917	4.0
65.11369	0.8
65.95952	0.7
67.05501	4.3
69.03417	17.7
69.07056	15.4
70.06547	0.8
71.04984	8.5
73.02907	5.3
79.05464	4.0
81.03399	18.8
81.07042	8.9
83.04982	1.5
83.08618	1.8
85.02890	67.7
87.04452	1.4
89.65747	0.7
91.03971	1.0
91.05469	8.0
93.07017	7.7
95.04967	3.7
95.08586	11.4
95.16035	1.1
97.02871	36.7
97.06496	1.2
99.04433	55.7
103.03923	76.5
105.07027	16.1
107.08569	12.1
109.02854	23.0
109.06519	5.2
109.10146	4.1
115.03932	1.3
117.07005	1.0
119.08556	56.3
121.06529	1.3
121.10126	7.0
123.08109	1.1
123.11684	2.0
127.03893	92.7
131.08551	3.9
133.10106	67.2
135.08081	1.0
135.11671	10.5
137.05960	3.9
137.09642	1.4
145.04941	33.8
145.08656	1.2
145.10112	3.3
147.11679	7.7
148.11983	1.0
149.13277	1.2
160.12529	1.4
163.05984	24.9
173.13121	2.7
175.14787	100.0
187.06041	2.0
191.14359	4.4
192.14595	3.2
193.15874	26.9
199.06142	0.9
220.40352	0.8
226.18080	1.6
271.08142	4.1
289.09167	4.9
307.10214	6.6
360.96570	1.1
427.00192	0.9
453.49637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05502	4.8
55.84036	0.3
57.07068	2.7
57.07303	0.3
59.04992	1.4
61.02913	0.3
67.05493	7.7
68.87193	0.3
69.03410	1.8
69.07058	10.8
69.07410	0.6
71.04478	0.3
71.04968	0.7
73.02872	0.6
73.44569	0.3
75.94606	0.3
77.71904	0.3
79.05463	1.6
81.03409	1.3
81.07036	7.2
81.60472	0.3
83.04961	0.4
83.08601	1.8
85.02891	5.4
85.06536	1.4
91.05456	5.5
93.07023	5.5
95.04939	0.4
95.08585	20.8
97.02872	2.1
97.97734	0.3
99.04434	4.6
103.03916	6.5
104.06279	0.3
105.07012	13.6
107.04911	0.4
107.08572	8.0
109.02884	2.1
109.06513	0.5
109.10139	24.8
111.04395	0.4
117.07007	2.0
119.04998	0.5
119.08558	65.9
119.21063	0.4
121.10098	3.6
123.08023	0.8
123.11668	1.2
127.03891	5.8
131.08537	2.5
133.10106	69.5
134.10924	0.6
135.09834	0.3
135.11665	9.5
137.05971	2.3
137.09593	8.4
145.04953	1.7
145.10097	5.0
147.11664	15.1
149.13246	3.7
151.14835	3.5
153.01808	0.4
159.11617	0.6
160.12466	3.7
163.05983	2.2
171.56786	0.4
173.13205	0.8
175.14786	100.0
176.15294	0.5
177.05409	0.4
193.15851	17.5
307.10178	0.8
431.18634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01843	0.2
65.03908	0.2
66.04706	0.2
67.05498	0.2
69.03407	0.2
70.06560	0.4
71.33709	0.2
72.72724	0.2
75.34835	0.2
79.05476	5.5
81.03381	0.3
81.07043	0.4
85.02892	1.0
86.09738	0.2
91.05463	4.9
92.08611	0.4
93.06998	0.3
94.04156	1.9
95.04951	1.2
97.02840	0.2
103.03902	0.2
103.05450	1.1
105.04505	0.2
105.07024	1.7
107.04205	0.3
107.04944	7.8
108.91995	0.2
109.06509	0.4
111.04427	0.4
115.05409	0.2
117.07003	0.3
117.83759	0.2
119.04923	7.7
121.02937	0.2
121.06486	5.7
122.03621	6.4
123.04432	0.3
125.05957	0.9
127.03878	0.3
131.04898	1.4
133.02844	0.3
133.06471	1.2
133.10048	0.2
133.87648	0.2
134.03598	1.1
135.04393	5.9
137.05957	100.0
138.06290	0.3
139.07576	0.2
141.06941	0.3
145.06485	0.4
146.03566	0.3
147.04391	9.0
149.05959	7.4
150.06772	1.5
151.07529	2.4
152.06224	0.2
153.05571	0.7
153.06979	2.9
155.08517	1.8
161.05949	4.3
162.06732	2.2
163.07484	1.1
165.06969	6.9
166.07741	0.7
167.07027	4.9
168.05634	0.7
169.06487	0.2
174.06575	0.2
175.07542	0.4
177.05460	0.2
177.06877	0.3
179.05389	0.4
179.07013	3.5
179.08527	0.7
181.06465	3.1
182.07263	1.1
183.08017	4.0
185.05995	0.2
193.06392	2.3
194.07239	1.8
195.08022	0.7
196.05161	0.7
197.06017	0.2
197.09624	0.2
198.06718	0.7
199.07559	0.2
205.06505	0.7
207.04399	0.3
209.05913	0.9
209.09714	0.3
210.06769	1.1
211.07495	5.2
212.08287	0.4
213.09067	1.7
219.07983	0.3
221.05917	3.1
222.06697	1.4
223.07538	0.2
224.08228	0.4
225.09052	1.8
227.06973	0.2
228.07816	0.4
233.05995	0.3
235.07523	0.3
237.05380	0.2
237.09109	1.4
238.06160	0.3
239.06975	1.6
241.08531	1.4
242.09253	0.8
243.10132	0.4
248.48494	0.2
250.06190	0.5
251.07048	0.8
252.07764	0.7
253.08475	1.5
257.11926	0.2
259.09680	0.2
265.08551	4.8
267.10031	1.3
271.09592	20.0
273.11163	1.9
277.08542	0.4
282.08820	0.4
283.09671	0.7
285.11133	4.7
297.11169	5.5
308.98401	0.2
309.11179	1.0
315.12210	7.2
327.12344	0.8
401.13577	0.2
421.16504	0.4
433.16251	1.0
445.15948	0.2
451.17688	0.7
463.17477	0.4
533.21790	0.2
534.21997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2721
Annotation	Roridin A
Peak:m/z	Relative Intensity
55.05499	4.4
57.03428	2.0
67.05492	4.7
69.07061	1.9
71.04967	1.1
79.05478	5.5
81.03416	9.9
81.07028	8.2
81.11523	0.9
83.04955	1.2
83.08617	1.9
85.02911	1.8
91.05458	4.3
92.09219	1.3
93.07032	6.0
95.04954	4.8
105.07016	1.6
107.08582	3.1
108.08911	0.9
121.10112	1.4
131.08586	1.1
144.89774	0.9
145.10077	1.1
175.11128	1.0
249.10970	3.2
251.12570	3.4
267.15958	1.1
268.16101	1.1
269.17310	1.4
275.17010	0.8
298.94604	1.0
303.44577	0.9
307.15186	3.9
461.28839	1.7
462.29089	1.8
533.27142	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	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01864	3.6
55.05507	1.2
57.03434	11.4
61.02914	14.7
66.02858	0.6
67.05502	1.5
69.03417	37.0
69.07056	12.7
71.04974	4.8
72.99184	0.8
73.02891	5.1
79.05466	3.7
81.03400	17.8
81.07029	5.1
83.04958	0.8
83.08627	1.6
85.02893	100.0
87.04446	4.5
90.68571	0.7
91.03941	4.0
91.05440	1.8
93.07011	4.7
95.04958	8.8
95.08580	5.2
96.77376	0.7
97.02872	39.6
97.06510	1.9
99.04435	7.3
105.07008	4.8
107.08580	6.6
109.02863	11.5
109.06501	6.7
109.10181	0.9
115.03922	1.3
119.08547	5.1
121.06485	4.2
121.10134	3.5
122.07278	5.0
123.08053	24.5
127.03903	23.8
131.08563	1.7
133.10129	8.2
135.08034	34.3
135.11684	3.8
137.05968	1.2
137.09618	1.9
145.04945	21.9
145.10094	1.0
147.11684	4.2
148.08836	1.1
149.09627	1.2
149.13295	1.3
163.06007	3.8
163.14818	1.5
165.12718	18.0
173.13203	1.4
175.14816	4.6
176.11913	9.7
189.07529	1.1
191.14279	93.1
193.15862	9.6
207.13812	0.9
209.15309	11.9
349.45538	0.9
353.19440	1.7
371.20621	8.0
477.52475	0.9
533.25848	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	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01858	0.9
55.05506	4.8
57.03428	4.2
57.07054	0.6
59.04982	0.7
61.02905	2.7
67.05490	1.0
69.03416	13.2
69.07059	3.1
70.06571	0.6
71.04980	9.3
73.02882	1.1
79.05484	2.6
81.03402	15.6
81.07047	4.8
83.04967	2.2
83.08607	3.7
84.57902	0.5
85.02892	66.9
85.06530	2.5
88.09289	0.4
91.05448	3.5
92.15282	0.5
93.07001	4.7
95.04953	19.1
95.08583	4.6
97.02876	15.4
97.06503	6.7
97.10169	0.7
99.04438	61.0
99.08064	2.2
103.03926	100.0
105.07027	9.0
107.08590	7.0
109.02867	14.4
109.06507	9.5
109.10172	3.3
111.08055	2.0
113.09635	0.7
117.05493	0.5
117.07040	0.5
119.08584	6.6
121.06496	0.9
121.10114	9.3
123.08049	8.4
123.11721	1.0
125.09607	2.1
127.03899	84.2
127.07581	0.9
131.08554	5.2
133.10109	20.6
135.08038	2.6
135.11658	1.9
137.05968	2.6
139.11197	1.9
143.10699	1.9
145.04947	33.4
145.10086	2.4
147.04422	1.2
147.11671	14.2
149.09631	0.9
149.13232	2.8
151.11145	0.8
153.09081	9.4
158.10922	1.0
163.05989	31.7
163.14711	0.8
165.12772	5.4
169.12207	0.9
171.10136	2.3
173.13228	7.4
183.13777	0.7
187.05956	2.8
191.14278	12.3
205.07065	3.3
209.15335	14.5
227.16397	26.7
233.76797	0.5
271.08206	3.4
289.08994	2.0
291.10577	0.5
307.10086	6.1
308.11520	0.5
347.04370	0.9
365.05359	0.8
491.08572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
54.04969	0.4
55.01861	0.6
55.05508	4.3
55.17717	0.4
56.69211	0.4
57.03429	4.4
57.07074	0.7
57.23993	0.5
59.05002	0.8
61.02913	2.5
61.61831	0.4
66.51210	0.5
67.05480	2.0
69.03416	11.7
69.07053	2.9
70.06580	0.5
71.04980	8.3
73.02904	2.0
79.05473	2.7
81.03397	14.5
81.07040	4.8
83.04961	2.1
83.08616	5.0
85.02894	69.4
85.06522	2.5
86.03221	0.7
86.09695	0.8
87.04414	0.6
91.05448	1.2
93.07025	4.1
95.04337	0.6
95.04950	21.1
95.08587	4.2
97.02869	15.7
97.06519	6.6
99.04436	56.8
99.08055	3.1
103.03926	100.0
105.07012	7.9
107.08575	7.6
109.02866	15.1
109.06508	10.5
109.10131	3.1
111.08047	1.1
117.07007	0.8
119.08567	6.2
121.06480	0.6
121.10126	8.2
123.08064	6.5
123.11701	2.1
125.06033	0.6
125.09605	2.2
127.03898	79.2
127.07525	0.8
131.04901	0.8
131.08543	4.7
133.10115	18.5
135.08011	2.4
135.11700	2.1
137.05963	3.0
139.11165	2.2
143.08539	0.7
145.04953	32.7
145.10123	2.4
147.04393	0.7
147.11662	14.1
149.13202	1.0
151.11211	2.0
153.09108	7.6
158.10922	0.6
161.13283	0.6
163.05984	30.6
165.12738	4.5
167.14268	0.6
171.10191	2.5
173.13271	6.2
183.13821	1.2
187.06018	3.0
191.14264	12.1
205.07069	3.2
209.15329	14.3
227.16399	28.0
271.08112	2.4
289.09128	2.8
307.10083	5.3
339.11578	0.6
347.04666	0.8
365.05652	0.7
491.08163	0.6
497.23703	0.8
533.19800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04097	3.6
55.01878	8.0
55.05497	31.2
56.45618	4.3
57.03430	34.2
63.45105	5.1
67.05490	93.9
69.07047	23.6
71.04976	9.2
79.05479	66.5
81.03405	79.2
81.07043	100.0
83.04975	20.4
83.08595	32.7
85.02883	36.5
86.09691	8.8
91.05464	63.4
93.07027	68.7
95.04951	41.1
95.08595	34.6
97.06509	21.6
97.10175	8.1
105.07036	40.7
107.04951	7.2
107.08582	25.6
109.06554	4.9
109.10163	9.1
111.08077	20.1
113.05997	5.3
117.06983	9.8
119.08517	36.6
121.06453	5.5
121.10108	21.9
121.40726	5.2
125.00075	4.7
125.09625	4.9
129.06978	5.7
131.08540	28.0
133.06384	4.4
133.10100	31.2
135.11662	7.7
137.21519	4.9
145.10159	7.8
147.11671	9.3
149.09669	8.1
157.10144	10.7
159.11662	19.1
175.11122	10.9
184.07301	21.9
193.12233	25.8
211.13271	25.6
267.16034	8.9
269.17368	20.3
285.16931	35.9
287.18457	8.6
387.25330	6.5
453.28406	29.8
461.29065	40.8
479.29617	26.2
497.30374	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	533.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27390	1.2
53.03937	7.7
54.81359	1.5
55.01855	2.6
55.03160	1.4
55.05503	26.5
55.40563	1.4
56.96533	1.6
57.03428	3.4
59.95495	1.5
60.02023	1.4
60.87978	1.6
61.02905	3.9
67.05489	11.9
69.03404	22.7
69.07047	3.4
70.06585	4.0
71.04975	16.3
73.02874	2.1
79.05471	7.8
81.03407	22.0
81.07047	20.3
83.01340	1.5
83.04958	15.0
83.08608	12.1
84.08132	1.8
85.02887	80.7
85.06525	1.7
86.06049	2.9
86.09689	2.7
87.04448	1.7
91.05459	17.6
93.07029	18.7
95.04944	34.9
95.08591	42.2
97.02860	28.1
97.06518	7.3
99.03927	1.6
99.04433	54.4
103.03923	95.1
103.04608	3.7
105.07015	28.7
107.04913	1.9
107.08574	32.3
108.74231	1.6
109.02868	18.2
109.06520	9.2
109.10167	14.9
111.08052	2.2
111.42225	1.5
115.03925	1.7
117.07020	3.4
119.00189	1.5
119.04934	2.7
119.08568	20.7
121.06460	2.0
121.10122	19.7
122.05913	2.0
123.08054	10.3
123.11704	3.8
125.09635	2.8
127.03889	100.0
127.04816	3.6
131.08565	10.4
133.10103	44.4
135.08012	6.0
135.11679	2.1
136.07550	1.7
137.05952	13.5
137.09583	8.0
139.11206	1.7
141.09082	6.5
143.08568	2.6
145.04936	34.2
145.10139	9.6
147.04405	6.4
147.08096	2.1
147.11674	15.7
149.09578	20.0
149.13268	3.2
151.11168	13.5
153.09117	9.6
158.10834	1.9
159.11725	2.1
161.13216	2.7
163.06013	23.3
163.14818	1.9
165.12718	3.1
167.10620	5.9
167.14276	18.5
173.13275	17.9
175.14792	20.0
183.13820	3.2
191.14307	29.0
201.10307	3.3
207.13791	1.7
209.15338	52.6
215.11743	2.3
216.12582	2.7
227.16341	22.8
271.07886	2.5
289.09283	1.9
307.10101	3.9
335.22116	2.8
406.17700	2.8
533.20557	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	531.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29374	1.0
51.37358	1.1
53.03934	3.4
53.84089	1.4
55.01876	13.8
55.05508	78.6
57.03421	8.4
57.07064	2.5
59.20406	1.3
59.22180	1.3
61.02637	1.7
61.02919	32.8
67.05499	51.7
69.03418	10.9
69.07053	21.2
71.04968	3.1
73.02894	10.8
79.05475	28.6
81.03403	16.9
81.06596	2.9
81.07043	58.1
82.28461	1.3
83.04961	12.0
83.08610	97.5
85.02888	24.4
85.06536	3.1
91.03459	1.3
91.03944	12.5
91.05470	43.4
93.07022	34.7
93.54520	1.4
95.04952	12.2
95.08584	26.7
97.02874	19.4
97.06503	9.3
97.10163	2.9
99.08072	2.0
101.02325	1.4
105.07027	31.2
107.04930	2.4
107.08579	21.2
108.93615	1.4
109.06501	8.7
109.10133	12.4
111.08070	19.5
111.32506	1.6
117.07003	5.9
119.08565	17.6
121.06516	1.7
121.10141	18.8
123.08031	2.1
123.11704	2.0
129.06963	8.3
129.09119	2.1
131.08534	10.3
133.10094	39.0
135.08023	3.0
135.11674	5.5
137.05977	2.7
139.11176	13.1
143.08549	2.2
145.10124	3.4
147.08014	1.7
147.11684	23.1
149.09586	9.2
149.13239	18.5
151.11160	11.2
157.10120	8.7
159.11664	3.1
161.13243	3.0
163.11090	2.4
165.12759	14.3
167.14302	3.3
173.13257	5.0
175.11101	12.5
175.14848	2.8
177.12746	1.7
185.13264	2.8
221.15294	2.8
241.19550	5.7
259.20438	7.2
277.21594	44.5
315.23184	1.7
351.25241	100.0
369.26273	24.8
456.75739	1.8
531.34943	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65173	0.2
55.05502	0.3
56.05022	0.8
58.06591	0.2
60.08151	9.2
67.05492	0.4
69.07045	0.3
71.07356	3.9
79.05496	0.8
81.03400	0.2
81.07041	1.0
83.08591	0.2
86.09691	47.1
87.09991	0.2
91.05450	0.5
92.08702	0.2
93.07020	0.5
95.08559	0.2
98.98444	3.9
104.10731	5.0
105.07017	0.4
107.08580	0.5
109.06512	0.3
117.07001	0.3
119.08533	0.3
124.99982	31.4
131.08575	0.2
135.08047	0.3
136.37703	0.2
137.05864	0.8
143.01088	0.8
147.11687	0.2
161.09546	0.2
173.09605	0.2
184.07309	100.0
514.29126	1.2
532.30249	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	531.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03748	0.7
53.03939	10.0
53.41193	0.8
55.01865	2.3
55.05506	1.7
57.03431	4.0
57.07051	1.1
57.67556	0.7
59.04993	1.4
61.02896	4.9
61.12809	0.8
67.05490	8.4
69.03414	21.2
69.07050	1.3
71.04993	7.5
72.08130	1.6
72.72254	0.9
73.02894	5.1
79.05481	2.0
81.03397	31.2
81.07029	6.3
83.04973	4.5
85.02891	83.6
85.06536	1.0
87.04469	1.4
91.05463	6.9
93.07018	5.6
95.04951	8.3
95.08587	7.8
97.02875	46.5
97.03498	1.8
99.04434	66.6
103.03923	96.2
105.07007	17.5
107.08581	11.6
109.02861	28.4
109.06496	18.2
109.10155	15.6
115.03910	1.2
115.88503	1.0
117.07018	3.6
117.24821	0.9
119.04963	1.3
119.08562	19.8
121.06485	2.2
121.10143	2.1
122.07293	0.9
123.08036	8.0
127.03891	100.0
129.07031	1.0
131.08553	2.0
133.06487	4.8
133.10112	5.2
135.08110	1.5
135.11652	1.1
137.05997	1.4
137.09595	97.4
143.08556	1.3
145.04936	38.7
145.10104	14.2
147.04422	1.4
147.08047	1.5
147.11682	15.1
149.09592	5.8
151.07483	1.9
156.09354	4.2
161.09709	1.0
161.13252	2.1
163.05991	28.0
163.11172	4.9
165.09131	0.9
165.12741	1.5
171.11649	2.3
174.10324	1.5
177.12775	1.2
187.06044	3.6
189.12724	18.3
207.13759	34.6
225.14787	1.3
271.08075	4.6
289.09079	4.4
307.10211	5.5
448.40015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70759	0.5
53.03944	4.9
55.01851	0.9
55.05505	3.3
56.37802	0.5
57.03423	2.5
59.04987	4.8
61.02912	2.6
62.25243	0.5
65.93671	0.5
67.05485	6.2
69.03413	14.9
69.07054	2.5
70.06581	0.9
71.04960	4.9
72.08128	1.3
73.02890	2.5
79.05485	2.3
81.03400	15.2
81.07032	4.3
81.51719	0.6
82.25249	0.6
83.04974	1.4
84.08112	0.5
85.02889	69.7
87.04436	0.7
87.50315	0.5
91.03923	0.7
91.05470	4.7
93.07018	5.5
95.04948	3.6
95.08563	2.3
97.02867	23.8
97.03812	0.7
97.06533	1.0
99.04430	48.1
103.03920	100.0
105.07005	7.8
107.04931	0.6
107.08567	11.8
109.02862	14.4
109.06493	12.1
109.10132	8.4
116.64380	0.6
119.08552	7.9
121.06530	2.2
121.10103	1.3
122.07281	1.1
123.08051	11.2
125.06037	0.7
127.03894	86.7
131.08545	1.0
133.06477	0.8
133.10123	2.7
135.08038	3.5
135.11707	1.2
137.05983	3.8
137.09593	49.7
145.04936	37.1
145.10063	0.7
147.04391	2.4
147.07912	0.7
147.11644	4.8
149.09612	1.2
151.07530	0.8
153.09126	2.0
159.11647	0.7
161.13235	3.6
163.05986	35.4
163.11115	0.8
171.11707	0.9
178.05110	0.6
187.05971	4.2
189.12726	3.7
193.41458	0.6
205.07080	2.9
207.13800	8.9
225.14873	2.3
271.08130	5.0
289.09109	3.6
307.10150	11.6
514.36658	0.6
531.24268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.81424	0.4
55.01851	0.9
55.05508	4.5
57.03414	2.1
57.07072	3.5
59.04977	1.1
61.02901	1.0
61.62700	0.5
62.16775	0.4
63.03021	0.4
64.03837	0.5
65.03925	1.0
67.05486	20.7
67.18438	0.4
69.03412	8.0
69.07039	1.1
70.06556	1.1
71.04977	3.4
72.08142	5.1
79.05467	3.6
81.03401	7.3
81.07043	4.7
83.04955	3.9
83.08578	0.6
84.08146	0.7
85.02888	23.9
85.06523	9.0
86.09695	1.0
91.05469	4.9
92.66000	0.4
93.07019	9.3
95.04951	4.0
95.08580	100.0
97.02867	11.7
97.06462	0.9
98.97586	0.7
99.04425	15.6
99.78462	0.4
102.54575	0.5
103.03925	20.1
105.07016	7.5
107.04934	0.8
107.08577	10.6
109.02854	5.4
109.06514	2.8
109.10120	2.7
111.04425	2.0
113.05994	7.3
116.06274	0.7
116.07077	0.6
116.98625	1.0
117.07015	1.1
119.04938	1.1
119.08545	16.8
121.06480	1.1
121.10130	8.3
123.08035	29.4
123.11620	3.4
125.09602	0.8
127.03886	21.6
128.98518	0.5
131.04965	0.6
131.08566	1.0
133.06467	0.6
133.10103	3.6
135.11661	14.4
137.05952	2.6
137.09563	2.5
137.13219	0.8
139.07550	0.6
145.04950	8.3
145.10081	2.0
147.04390	6.5
147.08046	1.0
147.11667	5.3
149.09590	30.2
149.37241	0.5
151.07526	1.8
151.11133	0.7
151.14809	2.2
156.09291	0.8
159.08006	0.9
161.09564	0.6
161.13206	7.4
163.05959	5.5
163.11118	4.6
165.09148	0.6
165.12735	5.8
171.11642	2.3
174.10349	2.4
179.14282	2.2
187.05997	1.0
189.12709	12.5
204.10245	3.4
207.13763	43.9
209.11763	2.3
219.01723	0.6
225.14738	0.9
237.02786	1.9
271.08066	0.9
283.15253	3.4
289.09143	1.8
301.16409	1.1
307.10202	3.1
341.08878	0.8
406.17435	0.9
471.14285	1.1
500.33981	0.6
513.25317	0.6
531.27856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.4
55.01860	6.1
55.05507	28.0
57.03436	20.6
60.08167	2.3
61.83408	2.3
63.28341	2.2
67.05495	66.7
69.07056	26.5
71.04978	9.8
79.05479	49.2
81.03392	28.5
81.07037	78.5
81.07483	5.1
83.04960	18.7
83.08611	22.2
85.02895	4.4
85.06522	3.7
86.09683	4.6
86.64481	2.4
87.18639	2.4
91.05450	30.4
92.05500	2.8
93.07020	53.8
95.04952	10.9
95.08586	17.6
97.02849	4.4
97.06509	9.8
97.10146	11.4
97.45172	2.3
102.27402	2.4
104.10699	3.3
105.07011	16.3
107.04929	21.2
107.08566	33.9
109.06535	8.1
109.10138	13.6
111.04424	4.6
111.08099	3.4
116.61060	2.4
117.07030	10.5
119.08533	12.1
121.06471	3.5
121.10119	17.3
123.08056	4.7
123.11620	2.9
125.09601	6.0
129.07034	4.4
131.08549	17.3
133.10126	11.0
135.08054	4.1
135.11671	17.1
143.08498	2.9
145.10123	16.9
149.13220	14.1
153.12766	4.7
159.11658	5.1
163.11188	21.7
168.09253	2.4
170.10979	3.0
173.09523	4.1
177.12694	3.5
179.42650	2.7
181.12227	3.7
184.07251	10.0
191.10623	3.6
195.13770	3.1
200.11772	2.5
209.11719	9.4
265.14264	5.8
269.17377	21.5
283.15469	3.6
301.16547	4.9
381.87350	3.0
459.27246	21.4
477.28415	56.2
495.29401	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01867	7.4
55.05505	45.2
57.03426	21.1
57.07071	5.7
59.04995	4.7
65.03941	1.5
67.05494	100.0
67.93967	0.9
69.03421	1.1
69.07059	22.6
69.52944	0.7
69.54588	0.7
71.01337	1.5
71.04977	6.6
73.02906	4.8
78.42874	1.0
79.05474	44.7
81.03397	15.9
81.07039	82.1
83.04967	11.0
83.08604	20.9
85.02895	11.4
85.06555	4.4
87.04465	5.4
91.05463	33.6
93.07023	44.1
95.04945	10.8
95.08585	20.3
95.09142	1.5
97.02908	1.7
97.06505	8.1
97.10148	12.1
98.03394	0.9
99.08069	1.4
100.71112	1.0
102.66560	0.8
105.07024	12.9
107.04934	3.8
107.08580	27.6
109.06513	4.3
109.10136	38.1
109.10853	1.4
111.08081	7.0
116.04729	2.0
117.06996	8.9
119.08565	10.3
121.06495	2.0
121.10127	12.2
123.08074	1.8
123.11708	3.8
125.09599	9.3
129.05478	5.4
129.06978	1.3
131.08546	11.1
133.10081	9.3
135.08044	1.6
135.11681	8.5
137.09630	1.8
141.49669	1.0
143.10605	1.0
145.10117	3.7
147.08028	1.0
147.11673	3.6
149.09613	1.2
149.13220	10.7
151.11171	1.2
159.11693	6.8
163.11189	3.9
167.49286	0.9
173.09520	1.0
173.11697	9.0
177.12758	1.2
181.05730	1.1
193.12143	1.2
195.13843	10.7
199.13309	5.3
209.11792	3.4
227.12749	1.8
229.14301	24.4
267.15750	1.4
269.17426	34.0
283.15448	1.1
301.16324	7.3
423.27377	13.2
495.29416	15.5
513.30688	12.4
552.01611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14410	0.4
53.03939	3.8
54.82042	0.7
55.01851	1.1
55.05510	3.8
57.03418	3.3
57.07062	3.7
57.78739	0.4
59.04973	3.3
60.65981	0.4
61.02900	2.8
65.03918	1.0
67.05136	0.9
67.05489	18.7
69.03067	0.8
69.03416	16.7
69.07040	2.2
71.04972	7.4
72.08151	0.9
72.37817	0.5
73.02879	2.5
73.30289	0.5
78.43871	0.4
79.05472	2.8
81.03400	18.0
81.07021	4.5
82.15939	0.5
83.04971	3.9
85.02891	71.5
85.06526	9.4
87.04433	0.6
91.03927	0.9
91.05466	4.0
93.07026	10.4
95.04959	4.7
95.08586	83.2
97.02872	24.8
97.06499	0.8
99.04437	55.9
103.03924	100.0
105.07018	10.5
107.08585	11.8
108.05791	0.5
109.02869	18.6
109.06496	5.5
109.10143	3.4
113.06005	4.9
113.44824	0.5
119.08573	17.6
121.06458	3.0
121.10108	8.2
122.84332	0.6
123.08051	33.0
123.11678	3.3
127.03893	99.9
131.08543	2.7
133.06418	2.8
133.10121	4.0
135.08029	2.1
135.11673	11.4
137.09592	4.3
143.08542	1.3
145.04941	44.2
145.10120	0.9
147.04361	1.1
147.08028	4.1
147.11661	8.9
149.09602	65.1
151.07491	3.6
151.14738	1.2
155.81308	0.6
156.09366	2.6
159.08081	0.9
161.09583	1.1
161.13222	11.1
163.05986	34.7
163.11156	3.6
165.09065	0.6
165.12729	6.8
169.04959	0.6
171.11685	5.3
174.10368	3.1
176.90689	0.6
179.14276	1.0
187.05917	3.8
189.12709	21.5
191.14278	1.0
204.10077	1.0
205.07104	2.6
207.13770	71.1
218.62820	0.6
225.14793	0.9
232.73174	0.7
253.07146	0.8
271.08154	5.9
289.09018	4.3
295.38959	0.6
307.10208	11.9
310.55051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58849	1.2
53.00290	1.4
53.03931	2.1
54.13215	1.1
55.01624	1.2
55.01858	9.4
55.05306	1.3
55.05507	21.7
57.03436	10.5
57.07061	6.6
58.60112	1.3
58.60429	1.1
61.02907	9.2
65.03925	1.8
67.05494	100.0
69.03404	2.3
69.07055	18.2
69.75437	1.3
73.02885	3.1
79.05473	57.4
79.65253	1.6
81.03399	1.3
81.07038	62.1
83.04958	7.1
83.08594	6.7
85.02885	9.0
85.06516	6.8
86.11412	1.5
91.03935	2.5
91.05460	63.5
91.06005	3.0
93.07021	78.3
95.04941	8.3
95.08588	40.4
97.02861	5.6
97.06516	7.2
97.10168	3.3
105.07013	47.4
105.07662	2.8
107.04943	2.6
107.08573	43.1
109.10144	35.7
116.06115	1.8
117.07014	22.0
117.48473	1.5
119.08565	43.4
121.06476	1.7
121.10109	41.5
123.08021	1.9
123.11705	6.0
129.05458	8.7
129.06963	15.7
131.08537	40.5
133.10104	39.0
135.08029	9.2
135.11676	16.2
136.29814	1.4
137.09590	8.1
143.08533	14.9
145.10118	25.2
147.08064	2.2
147.11681	28.9
149.09584	25.1
149.13246	10.9
151.11159	7.2
157.10121	13.4
159.11679	20.8
161.09634	2.5
161.13184	15.3
163.11171	5.7
163.14719	5.2
171.11633	29.1
173.13223	10.1
175.11084	2.6
175.14793	23.9
177.12755	6.2
177.16341	1.7
185.13202	17.8
187.14778	1.8
189.12755	6.6
199.14874	7.7
203.14218	2.3
213.16379	2.2
217.19524	6.8
223.13246	3.4
231.17453	8.8
231.21109	3.4
241.19440	38.8
259.20483	34.0
259.22928	1.8
264.31247	1.6
269.17538	2.4
276.15979	1.5
277.21582	2.6
301.16562	2.2
333.24173	6.6
351.25275	10.6
415.82993	1.7
495.29178	10.1
530.25574	2.1
538.26550	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16918	1.0
53.03925	2.2
55.01859	6.9
55.05507	32.3
55.40652	1.2
57.03432	30.8
59.04966	1.4
65.03918	2.0
67.05491	39.1
69.03413	8.6
69.07059	10.3
71.04977	10.2
79.05479	40.5
81.03401	100.0
81.07041	52.6
83.04965	28.4
83.08611	34.0
85.02884	40.8
85.06521	2.1
87.04434	1.8
91.05459	49.8
92.09257	1.5
93.06491	1.7
93.07028	31.4
95.04944	49.7
95.08578	20.1
97.02860	6.2
97.06512	8.5
97.10143	6.8
99.08075	2.3
105.07013	45.3
107.04942	11.5
107.08569	15.2
109.06486	11.1
109.10156	2.4
111.04425	3.1
111.08046	16.3
113.05990	6.6
117.06956	1.7
117.67560	1.5
119.08554	33.8
119.98559	1.2
121.06435	2.3
121.10126	14.4
123.08043	2.2
123.11646	2.7
125.09611	1.7
129.06981	18.2
131.08539	20.9
133.06453	2.6
133.10109	19.5
135.08022	3.0
135.11610	2.0
142.07822	2.7
143.08636	1.4
145.10120	1.8
147.08006	2.4
147.11665	28.8
149.09602	13.8
150.10327	1.3
151.11131	1.2
153.01985	1.3
157.10114	24.3
164.08443	1.4
165.12691	5.8
175.11157	22.6
193.12199	55.6
203.18668	1.6
211.13251	61.5
266.58463	1.5
267.15842	21.4
285.16907	66.4
304.29425	1.6
425.71393	1.3
459.27203	15.6
471.28131	1.6
477.28448	22.1
495.29453	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01868	4.4
55.05505	30.6
56.30109	0.4
57.03430	26.6
57.07056	0.8
59.04990	0.9
62.42150	0.3
65.03926	2.0
67.05492	35.4
69.03410	6.7
69.06680	0.7
69.07051	13.0
71.04973	8.9
79.05475	44.0
81.03400	100.0
81.07039	50.9
83.04965	33.3
83.08604	31.7
85.02889	45.9
85.06525	4.3
91.05461	58.7
93.07024	30.7
95.04946	39.1
95.08585	21.7
95.09193	0.8
97.02867	4.4
97.06528	6.0
97.10146	6.2
99.08082	2.3
101.05963	0.5
103.05421	0.6
105.07013	43.7
107.04937	12.5
107.05615	0.6
107.08578	11.0
108.05300	0.5
109.06495	9.6
109.10143	5.2
111.04427	3.9
111.08067	13.6
113.05987	5.4
115.05425	3.2
116.06197	0.6
117.06974	3.1
119.04954	1.0
119.08563	33.8
121.06457	3.0
121.10112	14.9
123.08029	4.6
123.11677	2.1
125.09579	1.7
127.07552	0.6
128.06224	0.7
129.06985	20.8
131.08549	18.0
131.85660	0.4
133.06483	5.0
133.10106	17.9
137.05931	1.0
137.09618	2.6
141.06950	0.6
142.07774	5.8
145.06483	0.5
145.10126	2.6
147.08026	5.0
147.11670	20.7
149.09613	10.8
151.11238	0.6
157.10107	21.0
163.11182	0.6
165.12721	4.2
175.11145	19.6
186.45280	0.4
193.09607	0.7
193.10652	0.8
193.12207	55.2
211.13261	69.3
249.14752	0.4
267.15860	20.6
285.16913	69.0
367.23050	0.4
385.23688	2.0
459.27609	6.8
477.28326	13.0
495.29446	28.4
510.82343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
55.05503	24.2
55.05729	2.8
57.03430	7.0
61.02929	14.1
67.05495	100.0
69.07053	16.9
71.04980	3.4
72.11768	3.2
72.70793	3.2
77.27578	3.2
79.05475	68.6
81.07039	69.1
83.08585	5.9
84.23310	4.3
85.02887	8.5
85.06554	4.9
87.27236	3.2
91.05460	83.0
93.07025	66.1
95.04957	6.6
95.08593	49.3
97.02895	6.0
97.06492	8.7
99.14111	3.3
104.65009	3.1
105.07018	53.6
106.70879	3.6
107.08582	41.1
108.83990	3.3
109.10143	42.5
115.72594	3.5
117.06996	30.9
119.08548	50.0
121.10114	41.9
121.93866	3.3
123.11694	5.6
124.53984	3.2
129.06966	26.9
131.08536	51.1
133.10109	47.6
135.08051	5.1
135.11664	19.3
143.08566	21.7
145.10132	24.4
147.11653	31.1
149.09566	28.8
149.13254	4.8
151.11198	6.0
157.10117	19.8
159.11667	18.8
161.13269	17.5
163.11185	7.2
171.11601	29.6
172.95222	6.7
173.13255	6.8
175.14809	16.5
185.13251	14.4
190.96303	5.6
199.14830	13.8
213.16374	8.2
215.17770	4.3
231.17392	3.8
241.19560	48.6
259.20502	41.7
318.20282	4.0
351.25266	5.8
355.63919	4.2
471.18268	6.8
530.25458	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	530.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
54.81709	1.4
55.01864	2.6
55.05497	18.5
57.03426	22.7
57.07067	2.0
61.02914	8.0
62.81583	1.3
67.05492	42.5
69.03413	9.7
69.07063	14.3
69.99651	1.5
70.06586	6.2
71.01331	1.6
71.04975	7.3
71.14260	1.1
72.08141	18.0
73.02921	1.9
74.06069	7.9
79.05472	40.4
79.05898	1.9
81.03395	17.8
81.07039	36.1
83.04976	17.4
83.08618	11.6
84.04513	2.2
85.02889	18.5
85.06538	3.4
86.09688	6.6
87.04450	1.7
90.42651	1.3
91.05468	25.2
93.07022	42.2
93.07574	2.6
94.06364	1.4
95.04949	12.7
95.08591	18.4
97.02870	22.6
97.06505	12.9
97.10167	2.9
99.04434	3.5
103.03938	6.5
105.07033	10.4
107.04909	11.3
107.08564	27.9
109.02856	7.3
109.06515	2.8
109.10136	13.4
110.89413	1.3
111.04421	32.0
111.08039	2.0
113.06052	1.7
116.07095	3.2
117.07028	10.3
119.04926	1.8
119.08547	14.8
121.06460	2.8
121.10122	40.3
123.08057	6.5
123.11713	1.8
125.05974	5.7
125.09642	1.7
127.03903	3.0
129.05466	1.7
129.06950	3.5
131.04944	2.0
131.08536	15.4
133.10104	3.0
135.08020	2.9
135.11671	17.7
135.17662	1.4
137.05952	13.3
137.09610	2.1
138.06331	2.4
139.11176	9.6
143.11798	6.9
145.06445	2.8
145.10092	16.4
147.04408	9.2
147.08084	2.7
149.05925	1.8
149.09615	16.4
158.26846	1.6
161.06044	2.6
163.07512	12.1
163.11182	17.5
164.07985	2.2
167.10643	7.9
171.11311	2.3
171.13773	1.6
173.04378	1.5
173.09563	10.9
173.11728	5.8
181.12204	3.0
189.09044	1.8
191.10606	16.4
203.12737	2.5
204.10176	3.1
207.10127	2.2
209.11690	100.0
227.12718	14.4
229.14374	8.5
239.03749	1.4
241.14255	13.9
255.15797	2.0
265.14246	7.4
283.12207	2.9
283.15363	90.3
288.10822	1.8
292.30795	1.5
301.16403	29.7
306.11969	1.9
313.07349	1.6
319.17258	1.7
406.17068	1.6
427.19568	2.3
445.20535	1.9
463.21701	7.4
512.75220	3.6
530.20300	1.7
530.28369	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	14.0
55.05491	81.1
59.04956	21.7
67.05473	62.4
69.03421	17.3
69.07046	36.7
70.06572	21.4
72.08126	63.8
81.07037	23.7
83.08586	39.0
85.02892	80.5
87.04437	22.3
91.05476	18.5
95.08594	38.3
97.02864	26.5
97.06496	16.2
97.10145	100.0
100.11228	21.6
102.61063	17.0
109.02881	20.1
109.10128	75.6
113.74226	16.6
119.08534	25.5
127.03890	17.3
137.05974	72.9
147.04382	75.3
149.09508	21.7
164.06931	25.2
209.13185	36.1
229.14362	33.7
316.58698	17.7
334.55801	20.0
469.24362	15.4
476.59613	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	530.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	14.0
55.05491	81.1
59.04956	21.7
67.05473	62.4
69.03421	17.3
69.07046	36.7
70.06572	21.4
72.08126	63.8
81.07037	23.7
83.08586	39.0
85.02892	80.5
87.04437	22.3
91.05476	18.5
95.08594	38.3
97.02864	26.5
97.06496	16.2
97.10145	100.0
100.11228	21.6
102.61063	17.0
109.02881	20.1
109.10128	75.6
113.74226	16.6
119.08534	25.5
127.03890	17.3
137.05974	72.9
147.04382	75.3
149.09508	21.7
164.06931	25.2
209.13185	36.1
229.14362	33.7
316.58698	17.7
334.55801	20.0
469.24362	15.4
476.59613	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	529.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.6
65.03931	3.5
67.05489	43.2
69.07059	24.4
73.45589	3.7
79.05470	44.9
81.07032	57.7
81.62327	4.6
83.08602	18.1
85.01808	3.7
91.05458	26.7
93.07031	45.2
94.83950	3.5
95.08580	32.5
97.10163	4.9
100.91435	3.5
101.15540	3.8
102.31594	3.8
105.07011	17.2
107.08575	21.4
119.08567	9.9
121.10127	14.6
123.11713	4.5
126.59985	3.7
131.08598	6.6
133.10168	14.7
135.11708	4.4
146.23154	3.9
149.13289	8.5
157.44366	4.5
198.97929	3.9
205.44667	3.6
217.19411	4.3
253.21646	5.1
291.91248	4.9
315.58911	3.9
422.13937	4.0
529.33917	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	530.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
57.03427	0.2
58.00927	0.1
65.03923	0.6
67.05486	0.3
69.03415	0.2
71.39113	0.1
76.86839	0.1
79.05499	0.5
81.03355	0.2
81.07037	0.2
85.02885	0.7
89.03905	0.2
91.05460	2.6
93.03374	0.3
94.04167	1.7
95.04967	0.4
97.06514	1.0
103.05428	0.6
105.07028	1.5
106.04128	0.2
107.04940	0.6
109.06491	0.8
110.17227	0.2
115.05324	0.2
119.04926	3.1
121.02822	0.3
121.06488	4.6
122.03631	4.9
123.04430	0.2
123.08053	0.2
125.05908	0.2
130.04149	0.3
131.04921	0.7
131.92303	0.2
133.06442	0.9
134.03658	1.1
135.04416	0.2
137.05962	100.0
143.04919	0.2
146.03641	0.3
147.04398	3.7
149.05971	8.5
150.06747	0.4
151.03931	0.2
151.07518	1.7
153.05553	0.3
153.06966	1.1
161.05949	4.2
162.06764	1.8
163.07529	1.0
165.06993	0.7
167.08528	0.3
175.07562	0.2
179.07002	1.7
181.06447	2.8
182.07361	0.2
188.77138	0.2
193.06458	1.0
194.07268	0.3
195.08070	0.3
209.05943	0.7
210.06642	0.4
211.07483	0.2
213.09021	2.2
221.05881	0.8
222.06703	0.4
223.07526	0.2
225.09064	1.5
227.10553	0.2
237.09131	0.4
238.06148	0.3
241.08565	1.8
253.08607	1.8
257.11682	0.3
258.08890	0.2
265.08548	1.0
267.10101	0.4
270.08740	0.3
273.11191	2.7
283.09567	1.3
285.11151	4.4
295.13840	0.2
297.11111	1.2
303.12280	0.7
315.12167	1.1
333.13293	0.3
337.67514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3494
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
57.07073	2.6
64.54794	1.5
67.05487	7.1
74.09705	1.5
79.05475	2.8
81.07048	3.0
83.95090	1.4
89.06022	2.5
91.05467	2.0
93.07021	2.3
95.08576	3.5
105.07051	1.8
109.10152	1.5
190.07877	1.4
195.09871	2.8
226.43073	1.8
234.37509	1.7
252.73993	1.6
256.26288	11.2
280.79547	1.8
504.42920	1.9
529.34918	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	528.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35301	2.3
52.08455	2.4
54.66076	2.2
55.05511	23.9
55.05720	2.8
57.03434	24.0
57.03653	2.8
57.07072	13.5
59.04993	4.6
61.33868	3.0
67.05495	100.0
69.07057	30.4
71.04999	4.1
71.08618	5.5
71.85592	2.8
73.25235	2.5
78.79496	2.8
79.05494	6.1
81.07047	30.9
83.08597	19.8
84.89424	2.7
85.06531	5.1
89.06042	3.1
91.05502	5.0
93.07013	7.0
95.08574	20.8
97.10148	11.9
107.08595	5.1
109.10143	65.4
119.08661	2.9
121.10096	6.9
125.09605	3.4
173.11716	13.0
229.14319	53.1
247.24051	3.3
277.38644	3.5
283.26245	6.1
339.28888	44.3
493.38837	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	529.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81639	1.1
55.05492	1.6
55.39565	1.1
56.96553	23.7
67.05518	1.1
69.03407	5.1
70.06561	4.4
71.04985	2.2
74.97626	1.1
79.05493	2.2
81.03423	4.8
81.07035	1.7
83.04968	2.0
84.96021	9.2
85.02899	13.8
86.09695	1.6
91.05468	5.4
92.09303	1.5
93.07023	2.4
95.04953	2.2
97.02882	7.4
98.97559	50.7
99.04458	8.0
103.03945	5.9
103.05443	1.7
105.07021	5.3
105.15184	1.3
107.04928	5.0
107.08570	1.3
107.86258	1.1
109.02876	5.2
109.06528	1.6
110.97544	12.6
111.07303	1.0
112.99097	1.6
116.98602	36.4
118.06580	1.2
119.08525	1.5
121.05620	1.2
121.06517	1.6
122.03564	1.2
122.81102	1.3
125.09623	10.0
127.03909	9.2
128.98572	31.0
131.00124	5.0
131.04900	2.1
133.06511	1.6
134.99603	14.6
135.08023	1.4
136.07527	2.0
137.05954	33.7
137.09622	4.5
138.06297	7.9
140.98540	2.0
143.00165	7.6
144.98088	5.3
145.04942	2.6
146.99629	24.9
147.04388	2.1
149.01210	4.3
149.09616	6.7
151.03923	2.2
151.11125	1.8
152.98558	1.1
158.99640	9.9
161.01233	12.6
162.99109	5.5
163.07520	12.2
164.08212	2.5
165.00682	1.8
165.09093	4.9
167.07068	1.3
169.01852	1.6
170.99657	7.4
173.01265	1.9
177.00670	21.4
177.05386	1.3
177.12802	1.4
179.02258	3.9
179.03752	25.5
181.04938	14.5
182.05267	2.5
183.25981	1.1
187.11185	4.4
189.00681	11.1
189.09143	1.8
191.03813	1.8
195.01752	5.7
197.04837	33.6
201.00710	4.6
203.03781	2.3
205.12253	1.7
207.06499	2.0
211.06401	1.8
219.01703	37.6
221.04782	31.5
223.13193	7.9
237.02768	100.0
239.05821	13.8
249.04367	1.6
255.03905	10.4
260.04343	1.7
263.05893	7.5
275.05698	2.5
281.06961	1.9
302.36694	1.8
313.10678	4.4
314.10919	2.8
323.07944	68.5
331.11642	1.7
332.12018	2.4
341.09003	83.7
469.13721	87.7
528.28406	4.4
529.16382	4.4
529.27783	5.3
551.23236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01864	13.8
55.05497	33.1
57.03429	36.2
57.07061	3.1
57.36847	2.1
60.95353	2.2
62.90566	2.4
65.03926	2.6
67.05491	59.0
69.03410	4.9
69.07051	17.0
69.73766	2.5
71.04971	3.8
73.02892	3.1
79.05472	86.0
81.03394	72.5
81.07041	77.0
83.04968	28.6
83.08608	37.2
85.02890	46.3
85.06538	3.9
88.12675	2.1
89.21310	2.5
91.05456	56.4
93.07017	78.7
93.79783	2.5
95.04947	39.9
95.08590	87.2
96.76749	2.7
97.02876	17.2
97.06517	10.3
97.10135	3.7
99.04441	3.9
105.07016	71.2
107.04951	24.0
107.08570	55.5
109.06514	10.7
109.10136	5.5
111.04439	3.7
111.08079	13.2
113.06036	3.8
117.07009	16.1
119.08554	42.3
121.06516	11.8
121.10107	34.8
123.08062	4.4
125.06004	4.7
129.06970	15.2
131.08516	20.6
133.06502	13.1
133.10052	21.8
135.08038	5.2
135.11670	86.9
137.05986	20.8
142.07791	3.6
145.10101	59.5
147.08044	3.3
147.11674	22.4
149.09535	4.2
157.10115	18.4
163.11134	100.0
165.09085	17.9
165.12859	2.9
175.11168	15.7
180.10104	2.3
181.12178	17.5
192.18140	2.4
193.12239	42.7
211.13292	48.7
227.12729	85.3
254.21402	3.2
267.15845	19.4
283.15347	70.0
285.16870	93.2
442.48190	2.6
475.26590	20.1
493.20599	4.5
493.27853	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01864	21.2
55.05503	54.5
56.29524	1.1
57.03430	44.0
57.07037	1.7
59.04976	6.5
63.26125	1.4
65.03950	1.4
67.05144	1.8
67.05490	49.0
69.03404	6.9
69.07051	14.8
71.04968	8.5
73.02873	2.0
75.82693	1.1
79.05475	65.5
81.03397	100.0
81.07037	67.8
83.01321	20.1
83.04963	44.9
83.08601	51.5
84.36019	1.2
85.02892	42.9
85.06513	2.6
91.05458	60.8
93.07021	62.2
95.04945	49.3
95.05517	2.4
95.08578	26.4
97.02858	6.7
97.06532	10.7
97.10143	8.6
99.04395	4.9
103.05434	2.0
105.07009	55.9
107.04943	20.8
107.08577	27.4
109.06488	17.6
109.10155	7.8
111.04431	7.4
111.08066	14.3
113.05945	2.4
115.05422	2.2
117.06983	12.8
119.08553	35.6
121.06495	7.6
121.10127	20.9
123.04388	1.6
123.08057	13.6
123.11722	2.6
125.05930	1.4
129.06976	21.3
131.08539	18.8
133.06512	5.7
133.10081	13.2
135.08054	5.6
135.11671	13.0
137.05986	7.7
137.09613	5.3
142.07762	2.8
142.84938	1.5
145.10103	19.4
147.08069	5.4
147.11647	16.2
149.09630	10.2
153.12732	1.7
157.10068	21.7
163.11142	34.3
165.09102	3.3
165.12752	2.9
173.09546	3.2
175.11137	19.4
181.12181	1.9
190.60269	1.5
191.10594	2.9
193.12209	48.4
209.11710	8.2
211.13258	65.2
220.48837	1.6
227.12729	3.0
267.15793	12.3
283.15335	96.6
285.16913	49.0
307.39557	1.7
475.26883	19.6
493.27863	93.8
541.78003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03410	0.9
62.82162	0.7
67.05511	0.9
70.06570	0.9
73.54285	0.8
79.05460	1.9
81.03387	1.3
82.27524	0.8
85.02891	1.0
91.05461	3.5
92.96514	0.8
93.06994	1.1
95.04969	3.5
97.06522	1.5
103.05448	2.0
105.07007	1.9
107.04943	100.0
108.05274	4.9
109.27879	0.8
109.69151	0.8
115.05434	3.1
117.06992	1.1
119.04935	1.6
119.08580	1.1
121.02827	1.6
121.06470	6.0
122.03645	1.3
123.04377	1.4
129.07007	1.0
131.04892	12.3
133.06479	3.7
134.29938	0.8
134.30940	0.8
137.05959	71.3
138.06285	1.5
143.04840	1.1
145.06487	1.7
147.08076	1.1
149.06001	1.5
151.07494	6.8
157.06522	1.1
159.08063	1.0
161.05963	4.8
163.07541	6.7
165.07008	1.9
165.09058	1.5
167.08464	8.7
175.07576	4.2
177.06908	5.7
177.09122	3.1
178.07794	1.3
179.08495	1.3
181.06450	5.7
187.07616	1.2
189.09116	1.9
191.06956	1.4
193.08617	1.2
194.07269	1.9
194.52211	0.7
195.08017	26.8
195.09938	1.7
197.09622	1.0
201.09114	1.1
203.08537	1.2
205.06479	7.3
205.08350	1.4
206.07274	3.3
207.07977	3.8
209.09613	3.9
212.08325	1.3
219.10045	0.8
221.05858	1.4
221.09579	4.1
222.06796	4.4
223.07487	22.7
224.08267	3.8
225.09015	1.0
233.09662	1.4
235.07533	1.6
237.09010	15.3
240.07762	3.4
249.09048	6.3
255.10115	78.8
261.09052	1.8
267.10074	17.2
268.10666	1.3
269.11697	0.9
281.11719	9.5
285.11334	1.0
296.33960	0.9
299.12677	21.6
311.12936	1.3
329.13770	4.5
330.14151	3.2
331.14835	3.6
399.18066	1.2
514.56226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01864	3.2
55.05501	6.6
57.03424	6.2
59.04982	8.0
67.05500	8.7
69.07052	1.5
79.05477	13.8
81.03402	15.0
81.07045	8.3
82.51744	1.2
83.04967	6.5
83.08627	1.4
85.02900	11.2
88.96659	1.3
91.05460	28.3
93.07036	8.3
95.04955	10.3
95.08594	3.1
97.10195	1.7
103.05448	45.3
103.06106	2.3
105.07008	28.3
107.04941	17.1
107.08597	3.2
109.06518	6.9
111.08032	1.7
112.91389	1.1
115.05432	9.5
117.06999	18.1
119.04910	12.3
119.08524	10.7
121.02836	1.8
121.06512	2.7
121.10124	2.5
122.03621	2.9
123.04399	6.1
123.08060	2.7
128.06210	13.3
129.06973	10.5
131.04907	47.9
131.08560	7.2
133.06471	16.0
133.10052	1.3
135.08026	6.4
136.05205	6.5
137.05959	100.0
143.04970	1.9
143.08539	29.5
145.06476	23.3
145.10121	2.8
146.07274	5.9
147.04446	2.4
147.08060	11.5
148.05180	6.1
149.05980	8.7
151.03894	8.9
151.07516	35.2
157.06464	2.7
157.10135	1.6
159.08046	2.5
160.05180	6.9
161.05994	6.9
161.09586	10.4
162.06744	10.6
163.07513	53.9
163.08888	1.7
163.11098	2.0
165.09088	28.0
169.06477	1.5
171.08014	28.5
173.09610	6.0
174.06747	3.0
175.07516	64.6
175.11154	3.2
177.09082	5.3
179.07002	57.9
179.08372	2.4
179.10515	1.3
183.08047	1.5
188.08264	20.2
189.09015	14.0
191.10718	3.3
193.08572	15.0
193.12247	2.8
203.10638	70.5
205.08603	5.8
207.08261	3.1
207.10133	13.4
209.11647	1.8
211.13293	6.3
224.08327	2.9
235.07541	8.6
238.09860	1.8
239.10693	2.7
252.07863	2.2
263.10342	2.5
267.10110	8.1
267.15900	2.9
269.07999	1.8
270.08746	8.1
281.11664	7.9
283.09674	5.4
283.15527	2.2
284.10464	2.8
285.16888	13.1
286.12024	1.8
298.11896	2.3
299.12720	44.7
313.14178	3.1
327.15878	23.7
369.16888	65.9
475.20834	7.9
475.27145	2.8
477.15469	1.7
493.15219	2.5
493.21988	50.5
493.27719	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	528.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
55.05499	2.3
57.03432	1.5
59.04993	10.2
59.75576	1.0
65.03942	1.3
67.05492	2.2
74.90800	1.1
79.05467	2.5
81.03395	1.5
81.07047	1.8
82.80260	1.2
90.47108	1.2
91.05457	20.3
93.07046	1.5
95.04955	4.8
103.05452	55.4
103.98248	1.3
105.07014	18.1
106.09991	1.2
107.04942	8.6
108.05723	1.1
109.06507	5.6
115.05390	9.3
117.06998	14.6
119.04887	11.3
119.08540	5.6
121.06510	2.2
122.03636	2.5
123.04401	4.8
128.06201	15.1
129.07002	5.2
131.04909	40.5
131.08574	1.7
133.06482	15.8
135.08051	5.2
136.05191	5.0
137.05956	100.0
137.76436	1.1
139.01376	1.2
139.16138	1.2
141.06999	2.0
143.04939	2.9
143.08540	34.3
144.05736	1.2
145.06467	24.2
145.10172	1.5
146.07242	6.8
147.04338	2.4
147.08026	9.5
148.05161	6.7
149.05965	7.9
151.03954	9.1
151.07521	34.5
157.06497	2.9
159.08022	4.6
160.05185	6.8
160.08867	1.6
161.05930	8.2
161.09636	14.2
162.06740	12.4
163.07503	51.4
165.09093	25.8
171.08009	32.3
173.05945	1.5
174.06761	7.7
175.07520	66.4
175.11107	4.6
177.09094	6.8
179.07013	70.0
179.08408	4.1
187.07578	1.9
187.92531	1.2
188.08319	21.8
189.09062	18.8
192.46429	1.3
193.08589	18.2
198.06648	1.3
203.10637	85.5
205.08586	7.4
207.08185	3.5
207.10057	17.4
207.11496	1.2
224.08435	2.3
235.07516	7.3
235.11136	1.8
239.10594	5.4
249.09142	1.9
253.08540	2.7
254.09311	1.6
255.06436	2.3
266.09396	1.5
267.10138	6.1
269.08026	2.7
270.08813	6.5
279.10138	2.0
281.11646	5.8
283.09518	2.8
284.10428	6.2
295.13235	4.8
298.11917	2.3
299.12723	40.3
299.15994	2.4
313.14313	2.4
327.15854	25.6
351.15796	2.1
369.16898	71.0
475.20966	2.7
493.22089	58.5
493.28052	2.0
525.04053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89505	0.6
52.51554	0.6
55.05492	1.0
56.01810	0.5
67.05488	1.4
70.34194	0.6
79.05462	3.6
80.93373	0.7
81.07034	1.4
85.02915	0.6
86.42190	0.7
87.06094	0.6
88.73235	0.6
91.05466	6.7
93.07039	1.5
94.04198	1.2
95.04952	1.3
97.06509	1.5
103.03325	0.7
103.05449	45.2
105.07018	5.9
107.04942	5.8
109.06485	0.9
117.06960	1.1
119.04919	1.0
119.08517	1.5
121.06482	0.8
122.03617	5.7
128.06175	1.4
129.06969	1.5
131.04904	68.2
131.08539	1.1
133.06474	6.9
135.07993	1.3
137.05956	100.0
138.06244	1.2
143.08527	1.5
145.06485	4.7
145.10083	0.8
147.04369	5.3
147.08025	7.4
149.05939	3.2
151.03891	3.0
151.07556	5.3
159.08029	2.5
161.05945	5.7
161.09509	1.6
163.07510	78.4
164.08305	13.5
165.09102	11.2
171.08022	3.3
175.07512	10.7
177.08997	1.2
179.07030	7.8
183.07997	0.9
187.07527	4.5
189.09067	15.5
199.07501	1.2
201.09065	15.7
219.07964	1.4
219.10107	42.7
219.66463	0.7
224.08208	1.2
231.10205	1.2
233.05917	1.3
233.09558	2.5
233.11713	0.9
245.11784	1.7
251.10591	3.6
261.09000	1.6
265.08487	1.5
267.09857	0.9
279.10080	1.6
283.09482	1.1
286.08578	0.8
301.10675	4.5
311.12686	5.7
323.12698	1.4
325.14362	18.1
328.54208	0.8
329.13681	0.9
351.15872	5.5
369.16898	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	528.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66388	0.7
55.01856	1.1
55.69378	0.7
56.93168	0.7
56.96558	0.9
57.07079	0.8
57.08039	0.7
61.03217	0.7
67.05475	1.0
70.06568	1.1
74.87671	0.8
79.05481	4.3
81.07044	3.8
88.07627	1.8
91.05465	6.9
93.07049	0.9
94.04130	1.0
95.04943	1.8
97.06518	1.1
103.05452	51.4
105.06999	10.0
107.04946	7.5
108.46519	0.8
109.06513	1.6
115.05430	3.3
117.07019	4.7
119.04890	1.9
119.08530	1.5
121.06467	0.9
122.03628	6.8
123.84544	0.9
128.06209	3.6
129.06979	1.3
131.04909	75.5
131.08545	1.8
132.05626	1.5
133.06470	9.8
137.05960	100.0
141.06883	1.0
143.08559	3.4
144.90395	0.8
145.06491	6.5
145.10063	1.5
147.04399	5.0
147.08044	8.4
148.62477	0.9
149.05969	6.3
151.07549	5.5
155.08542	1.1
159.08067	1.6
161.05956	7.2
161.09584	1.5
163.07512	91.4
164.08301	13.0
164.65947	0.9
165.09094	15.8
171.08031	5.0
173.09608	1.1
175.07513	14.1
179.07030	8.1
187.07550	5.4
188.08261	1.3
189.09087	19.9
201.09079	18.4
205.10146	1.1
212.22061	1.1
213.08905	1.2
218.07237	1.2
219.07997	1.4
219.10115	38.7
219.12091	1.6
223.07587	1.0
233.05971	1.2
233.09526	4.3
235.07454	1.5
237.09021	0.9
245.11801	3.5
246.24220	18.1
247.24548	2.0
251.10725	2.0
261.09174	1.5
265.08353	1.8
267.10309	1.3
279.10013	1.2
291.10242	0.9
301.10693	3.7
311.12762	2.1
318.50696	0.9
323.12735	1.0
325.14267	21.4
329.13773	1.0
351.15775	4.3
369.16943	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26625	0.2
53.03923	0.3
54.06478	0.2
55.01858	0.4
57.03424	0.6
61.02913	1.1
67.05486	1.5
67.20457	0.2
69.03413	2.3
69.07055	0.5
70.06565	1.0
71.04965	0.4
72.08131	0.5
73.02892	0.4
79.05468	1.4
81.03380	1.3
81.07044	1.3
84.08113	0.4
85.02888	6.3
86.09685	0.3
91.05479	1.8
92.64470	0.2
93.06997	0.3
94.04150	0.4
95.04950	1.2
95.08562	0.3
97.02885	2.2
97.07516	0.2
98.97544	0.3
99.04412	0.3
103.05457	5.1
105.07017	1.9
107.04941	2.6
107.08576	1.0
109.02847	1.0
109.06490	1.4
109.10110	1.3
111.04431	0.4
115.05439	0.5
116.98556	0.4
117.06995	2.4
118.06508	0.5
119.04904	0.5
119.08573	0.5
121.06471	1.2
122.03626	1.3
123.04438	2.0
123.11660	2.2
125.42612	0.2
127.03909	1.3
128.06218	0.6
129.07021	0.4
131.04904	21.2
131.08499	1.9
132.05241	0.3
133.06438	2.8
133.10092	1.6
135.08046	1.3
137.05960	33.5
138.06297	0.5
138.09119	0.3
143.08556	1.0
145.06506	1.8
147.08073	0.5
149.05965	2.0
151.07501	1.1
151.11200	0.6
153.05469	0.3
159.08044	3.3
161.05948	3.4
161.09593	6.9
162.09131	0.3
163.07513	100.0
164.08032	0.5
165.09088	1.2
169.12148	1.0
171.07986	1.6
175.07507	0.4
177.09030	1.8
181.04938	0.5
181.08594	1.6
189.09065	16.6
195.07916	0.3
205.08575	0.3
207.10144	13.5
229.14296	0.9
230.15335	1.4
235.07407	0.3
235.11137	0.3
237.09090	0.4
247.23254	0.3
255.10165	0.3
267.10059	0.3
283.13235	1.1
285.11224	0.6
292.18991	1.9
301.14285	1.3
313.10797	0.4
313.14267	2.7
330.14038	0.4
331.15280	5.3
349.16287	1.1
366.22620	0.4
509.23434	0.4
510.23654	1.3
527.24554	1.9
528.25000	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	528.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19387	0.2
52.48220	0.2
53.03938	0.3
55.01857	1.2
65.03923	0.3
67.05482	0.6
69.03406	0.3
69.07036	0.4
79.05473	3.5
80.34455	0.3
81.07053	2.5
83.07659	0.3
84.90145	0.3
89.69514	0.3
91.05473	4.6
93.07011	1.7
95.04947	1.7
95.08619	0.4
97.06487	2.2
103.05447	4.7
104.06255	0.4
104.65363	0.3
105.06363	0.4
105.07012	9.6
107.04939	2.1
107.08590	1.6
109.06489	5.5
111.04415	0.3
115.05444	3.7
117.07004	5.4
119.04951	2.2
119.08551	0.4
121.06474	1.7
122.03630	0.6
123.04450	0.5
128.06163	1.6
129.06963	1.2
131.04915	4.8
131.08498	0.5
132.05705	1.2
133.06474	10.5
133.10127	1.2
135.04401	0.3
135.08025	2.9
135.11653	0.3
137.05957	42.9
138.06302	0.4
141.06973	1.6
143.04907	0.5
143.08540	2.5
145.06494	3.8
147.04395	1.8
147.07999	2.2
148.05168	1.3
149.05968	1.7
150.06863	0.3
151.03893	5.6
151.07523	5.2
157.06488	0.4
158.07204	0.5
160.05251	2.1
161.05940	9.3
161.09595	10.0
163.07515	100.0
165.09084	14.9
169.06447	3.4
171.08008	2.9
173.09593	1.2
174.06764	0.7
175.07513	10.8
177.09033	2.6
179.08495	1.2
181.08583	3.6
186.06779	2.3
187.07518	1.9
189.09067	23.1
190.07787	0.4
193.08557	0.5
196.08772	0.3
201.09067	7.4
205.08536	1.2
206.19989	0.3
207.08047	2.2
207.10100	13.2
211.11223	0.3
218.07124	0.4
219.10201	1.4
221.09596	0.5
224.08247	1.8
233.09566	1.1
234.06509	0.4
235.07544	4.3
237.09105	0.7
238.09810	1.6
239.10666	2.0
249.09074	1.1
251.07242	0.4
251.10565	0.4
252.07811	1.0
253.12181	0.6
261.09042	1.2
265.08286	0.4
266.09167	1.2
267.10022	3.4
271.13153	0.4
278.09351	0.6
279.10114	0.6
281.08401	0.6
281.11627	5.2
282.12036	0.3
284.10367	0.4
293.11673	2.2
295.09601	1.3
296.10355	1.3
297.11227	0.6
299.12732	8.6
301.14200	0.5
310.11877	0.6
311.12793	1.2
323.12561	0.5
323.16507	0.4
325.14304	11.5
327.15616	0.5
331.15387	0.5
341.13916	0.4
349.34134	0.4
351.15814	1.6
369.16754	3.6
475.21045	5.8
481.22025	3.7
493.22052	5.2
497.10013	0.3
511.23160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76509	0.1
55.01856	0.5
57.03433	0.3
58.04073	0.1
58.91202	0.1
61.02901	0.6
65.03951	0.1
69.03416	1.4
71.04983	0.1
72.58764	0.1
73.02900	0.2
77.03988	0.1
79.05468	0.6
81.03400	0.7
81.07050	0.2
85.02418	0.2
85.02890	4.2
91.03962	0.1
91.05463	1.0
93.07010	0.3
95.04945	0.7
97.02876	1.5
99.04434	0.3
103.05447	4.4
105.07008	0.8
107.04942	4.2
107.08565	0.3
108.90096	0.2
109.02888	0.2
109.06508	0.6
115.05439	0.6
117.07000	1.5
119.04925	0.6
121.06468	1.7
122.03619	0.9
127.03886	0.6
128.06195	0.5
129.06984	0.2
131.04907	13.4
131.08559	0.1
133.06482	1.9
133.10097	0.6
135.04393	0.2
135.08025	1.2
137.05957	26.8
138.06305	0.3
143.08545	1.2
145.04984	0.3
145.06461	0.8
149.05986	0.9
151.07524	0.7
159.07970	0.3
161.05952	4.0
161.09581	5.5
162.51591	0.1
163.07512	100.0
164.07898	0.6
171.08041	1.0
175.07483	0.2
177.09062	0.2
181.08592	1.2
182.08823	0.2
187.07506	0.2
189.09074	16.3
195.08041	0.2
197.09567	0.3
207.10120	14.3
223.07480	0.3
225.09120	0.5
237.09126	0.2
255.10130	0.2
257.11642	0.7
267.10028	0.2
269.11725	0.2
283.13129	0.6
285.11292	1.1
301.14304	2.0
313.14240	1.6
331.15390	3.8
349.16479	1.1
487.66769	0.2
528.17450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03946	0.4
54.81748	0.2
55.01864	1.1
57.03433	0.6
57.80150	0.2
59.05001	0.9
59.39707	0.2
61.02909	1.0
67.05481	0.4
68.99798	0.2
69.03435	1.8
70.06573	0.4
71.04979	0.3
73.02914	0.2
75.64141	0.2
79.05474	2.1
81.03406	1.8
84.08197	0.3
85.02894	7.3
87.04448	0.2
91.05463	1.1
95.04956	1.0
95.08581	0.5
97.02880	2.6
103.05455	1.6
105.07018	32.1
107.04935	0.5
109.02884	0.5
109.06526	1.6
109.10115	0.3
115.05450	0.3
117.07024	0.3
121.06490	0.4
122.03643	1.0
123.04392	0.6
124.05222	1.4
127.03887	1.2
131.04907	1.1
133.06474	35.4
135.04425	0.3
137.05960	62.1
138.06334	0.5
138.09193	0.2
141.95476	0.3
143.08562	1.0
145.04935	0.3
145.06461	0.5
145.90823	0.2
147.08083	0.4
149.05952	0.4
150.06699	0.9
151.03888	1.5
151.07553	1.2
161.05998	0.3
161.09586	0.2
163.07544	1.1
165.09085	100.0
166.09435	0.4
167.06973	0.3
171.08040	0.4
175.07516	0.3
177.05376	0.3
177.09013	0.5
179.07016	5.7
181.08412	0.2
185.11615	0.2
189.09042	2.1
193.08545	0.3
207.10121	2.0
235.11153	0.4
237.09103	0.2
248.08354	0.4
263.10632	1.9
305.12479	0.3
313.14340	3.9
331.15335	7.4
388.96909	0.3
528.20801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10497	0.4
55.01849	0.5
57.03415	0.8
59.05005	0.4
61.02908	0.4
65.03909	0.4
69.03409	2.3
70.06581	0.6
72.08132	0.6
77.10159	0.3
79.05467	3.1
81.03395	1.7
81.07061	0.5
84.08103	0.4
85.02895	6.5
86.09683	0.4
89.99240	0.4
91.05441	0.6
93.07044	0.6
94.04210	0.4
95.04884	0.6
95.08572	0.5
97.02867	1.6
103.05452	2.7
105.07014	35.0
107.04968	0.5
107.08573	0.5
109.02865	0.4
109.06490	0.9
111.04433	0.4
122.03636	0.5
123.04353	0.5
124.05212	0.9
127.03874	0.8
131.04884	1.8
133.06470	36.7
135.04356	0.4
137.05954	55.9
143.08533	0.4
145.06430	0.8
151.07497	0.7
161.06049	0.4
163.07509	0.8
165.09079	100.0
168.15874	0.4
171.07976	0.5
172.89522	0.4
174.06795	0.4
179.07011	7.5
189.09132	1.9
207.10172	1.6
240.05457	0.4
271.34119	0.4
331.15283	10.5
331.18814	0.7
460.05869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35836	1.1
54.54329	1.0
55.01860	6.5
55.05487	1.4
57.16106	1.2
64.33210	1.5
67.05470	2.5
68.05013	1.6
69.03438	1.7
70.06583	1.3
71.04985	1.7
79.05476	1.7
81.03344	1.2
81.05739	2.0
81.07026	2.7
85.02895	2.1
91.05474	6.4
92.08624	1.4
93.07037	2.9
95.08582	3.0
96.08107	3.3
105.07018	6.8
107.08579	2.5
108.08105	2.1
109.06530	2.2
109.10121	1.4
110.06046	5.4
110.58822	1.2
119.08541	6.2
121.06477	1.4
121.10139	2.7
123.04430	1.4
123.08028	1.9
124.07565	52.4
125.08353	6.9
126.09133	30.4
130.06433	1.9
131.04893	2.7
131.08592	2.0
133.06558	1.9
133.10074	2.7
135.08038	3.1
137.05928	9.8
138.09038	3.4
144.08104	2.4
145.07643	2.1
145.10158	2.0
147.08043	2.5
147.11673	2.0
148.07471	1.6
150.09114	2.4
151.03947	5.3
156.08018	3.1
157.07645	2.2
157.10170	1.9
157.60448	1.4
158.08423	5.6
160.07497	1.4
164.10670	14.0
165.09050	2.4
171.09146	7.4
173.07036	5.2
173.10707	2.5
174.09163	5.1
175.08702	1.6
175.11086	1.9
183.09204	1.6
184.06227	1.8
184.07648	1.8
185.07054	8.8
186.05493	1.6
186.07811	2.2
187.04936	1.7
189.06604	2.3
189.10242	2.4
192.10173	25.7
193.12184	2.3
197.07191	1.6
199.05031	1.5
199.08656	19.3
200.07121	3.0
200.09399	3.0
201.06540	21.0
201.10181	6.3
202.08760	2.1
203.08095	6.0
211.08682	5.0
213.06523	5.9
213.10170	7.8
215.04482	3.2
215.08131	6.5
217.09648	13.9
225.06616	1.7
227.08170	14.2
228.08856	3.3
229.06081	5.1
229.09630	10.9
230.06796	2.8
231.04031	2.1
231.07631	5.5
231.11237	7.7
233.09178	1.5
239.08150	2.6
241.06006	6.8
241.09631	13.2
243.07440	9.7
245.05618	2.2
245.09129	17.5
255.07558	20.2
256.08273	15.9
257.05606	9.9
257.09161	100.0
259.07254	2.7
259.10699	6.6
261.08762	2.4
265.06250	2.1
267.07608	2.9
269.09036	11.3
272.07770	5.4
273.08630	31.8
274.09354	5.8
283.07120	32.4
284.07925	6.1
285.08630	46.3
286.09451	12.6
287.07043	3.1
287.10205	48.5
297.08685	12.1
298.09293	1.9
299.10156	15.2
301.08151	30.6
303.09668	9.6
305.07672	2.3
311.06454	2.1
315.09665	19.2
325.08136	7.0
326.08884	1.6
327.09686	7.9
328.10257	2.1
329.07593	20.3
329.11276	15.6
343.09299	13.6
351.13245	20.4
380.15927	2.3
394.17578	2.3
396.29968	1.6
408.15720	1.5
422.17017	10.6
423.11459	5.2
424.18536	7.0
435.96457	1.6
440.17966	2.3
450.16705	16.6
452.18121	44.4
454.19757	29.8
468.17691	11.6
478.15845	8.8
482.19312	19.0
496.17020	69.3
510.18674	16.1
514.18079	10.6
528.19647	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	527.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52724	1.7
55.05269	4.1
55.05509	72.1
57.03411	3.6
57.07073	40.0
67.05495	56.0
69.07059	99.4
71.04966	2.8
71.08614	25.4
73.06556	2.3
79.05466	28.9
81.07045	100.0
83.04968	4.0
83.08609	81.2
85.06522	4.4
85.10170	13.1
89.05994	8.7
91.05424	2.9
93.07030	46.5
95.08593	68.3
97.06528	19.7
97.10145	51.0
102.66547	2.2
107.08580	35.3
109.10158	32.6
110.18195	2.3
111.08075	13.0
111.11732	9.9
116.20673	2.0
121.10116	35.4
123.11703	22.0
125.09609	5.2
133.08588	3.9
135.11688	32.8
137.13274	9.6
139.11147	4.2
149.13252	24.0
153.12740	9.6
163.14766	11.5
167.14293	4.7
190.63197	2.7
219.21065	23.6
237.22102	81.3
255.23146	22.2
434.47839	3.3
473.43521	21.6
491.44577	44.3
509.45575	15.8
531.89386	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	527.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.8
58.95464	0.9
67.05505	1.3
69.07095	0.9
71.08595	1.6
77.92016	1.1
81.07056	2.0
89.06013	2.1
91.05486	1.2
93.07027	1.3
95.08604	2.2
107.08621	1.1
118.86568	1.1
121.10114	1.0
133.08595	1.2
136.30421	1.1
168.37018	1.1
224.74963	1.3
247.57103	1.2
269.71390	1.2
458.69571	1.2
527.33405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3342
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
54.81414	0.4
57.07075	0.6
57.91719	0.3
64.32999	0.4
64.94318	0.4
67.05499	0.7
69.07042	0.4
71.08606	0.6
77.21723	0.3
81.07033	0.8
87.04457	0.9
89.06014	25.5
90.06356	1.9
92.08656	1.1
95.08601	1.0
105.07035	0.6
119.70155	0.4
133.08585	8.9
134.08943	1.7
168.45732	0.4
172.53575	0.4
177.11189	2.4
235.13054	1.8
239.15047	0.5
315.19260	1.8
327.20105	10.2
328.20392	3.3
527.33368	100.0
549.02814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1733
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
54.05559	1.2
59.51581	1.4
70.06590	1.9
81.56786	1.5
84.54214	1.3
84.91427	1.4
103.05441	21.3
103.75548	1.5
110.07125	1.8
131.04910	68.1
133.34244	1.5
135.64984	1.5
137.05974	3.4
146.38957	1.4
163.07501	11.0
185.05766	9.9
203.05214	1.9
249.15733	7.2
423.08749	1.7
527.17285	100.0
528.18475	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58988	0.7
53.00290	1.0
53.03934	1.5
55.01860	1.2
55.05505	17.1
57.03432	3.2
57.07066	8.1
61.50475	0.6
67.05492	12.1
68.99773	10.4
69.07056	22.4
71.08620	6.2
77.72126	0.7
79.05469	9.0
81.03407	3.3
81.07030	15.1
83.04961	3.5
83.08604	11.8
85.02884	1.0
85.10184	1.3
91.05466	7.8
92.09286	1.0
93.07017	12.1
95.04950	35.5
95.08594	11.2
97.06513	4.6
97.10149	8.3
105.07024	3.4
107.04947	17.8
107.08579	7.6
109.10157	3.3
111.00780	1.0
111.08089	1.6
111.11729	1.2
115.05457	0.9
119.04925	43.3
119.08617	1.5
121.10132	6.6
123.04407	54.5
123.11705	1.0
125.09581	1.5
126.73159	0.8
127.03918	1.4
131.08560	1.0
133.06499	5.0
133.10121	1.3
135.11659	6.2
139.03894	5.2
139.11142	1.4
141.07010	1.8
145.06462	5.0
147.04396	50.8
147.11693	1.1
149.05974	3.3
149.13290	4.1
151.03918	4.6
153.07050	1.0
157.06454	13.1
157.10138	0.9
159.08032	1.1
161.05966	3.4
163.14777	1.5
165.06938	1.3
167.14308	1.3
169.06360	1.6
171.04381	5.7
171.07997	1.3
179.03363	66.8
181.06451	5.0
185.05962	13.4
187.07491	7.3
189.05548	3.5
193.38853	0.8
199.07545	4.9
209.06020	1.0
213.05461	13.3
219.21092	5.0
227.06976	7.8
231.06499	1.5
237.22087	2.9
241.07597	0.9
255.06480	100.0
256.06879	1.2
273.07529	21.0
340.51791	0.8
411.49841	1.1
433.25763	5.1
474.29382	1.0
492.30298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.7
57.03426	19.7
63.55128	3.7
67.05493	100.0
69.07057	8.4
71.41770	4.0
72.75793	3.9
79.05482	4.9
81.07049	39.1
83.08594	5.7
89.06013	76.2
91.05463	8.1
91.34014	4.0
93.07019	18.7
95.08569	33.8
105.07040	4.8
109.10140	71.3
119.08531	7.5
121.10129	6.8
133.08617	9.9
137.87982	4.1
154.49646	4.9
216.44516	4.3
229.14368	33.7
266.20975	4.9
327.20068	33.0
337.27310	49.7
491.37003	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	526.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.6
55.01876	4.6
55.05495	45.9
57.03426	26.7
67.05492	73.6
69.03391	3.6
69.07047	32.5
73.86403	3.0
79.05478	94.0
80.69685	3.2
81.03396	80.8
81.07038	73.4
83.04955	28.9
83.08591	35.7
85.02911	25.1
91.05456	100.0
93.07020	70.3
94.74170	3.8
95.04936	49.0
95.08575	47.6
97.06525	5.4
97.10167	6.1
105.07008	66.0
107.04971	20.2
107.08576	28.1
109.06530	8.2
109.10115	7.5
111.08076	6.2
116.06171	4.0
117.06998	7.8
119.04921	24.4
119.08558	55.0
121.10125	13.9
123.04410	32.1
123.08068	3.7
129.06966	35.9
131.08551	18.0
132.64900	3.6
133.06435	4.3
133.10121	14.5
135.84424	4.0
137.05992	8.2
143.08589	6.3
145.10066	6.3
147.04375	29.6
147.07983	4.9
147.11656	47.9
157.06473	7.0
157.10114	16.1
165.09076	8.3
171.11678	13.5
175.11174	7.4
179.03360	32.8
187.07391	3.8
189.12738	4.4
193.12180	29.2
207.13812	13.2
211.13260	37.3
255.06464	47.7
267.15839	16.4
273.07529	5.2
281.17386	37.3
285.16934	35.0
372.32278	3.9
393.09595	3.9
442.40802	4.3
473.28964	56.2
491.30026	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52919	1.3
53.00303	1.5
55.05505	12.3
57.03428	7.4
67.05496	34.1
69.07065	14.9
71.04984	1.4
79.05482	14.1
81.07043	36.2
83.04957	2.3
83.08605	9.3
91.05470	19.1
92.09391	3.2
93.07028	15.1
95.04931	2.4
95.08597	19.6
97.10136	2.2
98.98450	26.4
103.05452	18.3
105.06995	12.5
107.04948	13.8
107.08565	7.6
107.27779	1.4
109.06514	1.7
109.10143	9.2
111.04305	1.3
115.05474	3.4
117.07005	6.8
119.04919	5.7
119.08578	5.9
121.06468	2.8
121.10123	3.6
122.03634	3.5
123.11668	3.4
128.06227	8.1
129.07008	2.6
131.04897	30.7
131.08539	26.4
132.05695	1.7
133.06494	7.9
133.10095	6.0
135.07990	2.8
137.05962	94.7
138.86131	1.4
141.07050	1.6
143.08563	11.4
144.05667	3.1
145.06497	3.5
147.04395	3.0
147.07933	1.7
147.11571	2.1
148.05128	2.9
149.05936	3.0
149.09567	1.7
150.06749	11.8
151.03903	2.8
151.07501	12.6
155.01039	9.0
157.06390	1.6
158.07350	2.0
159.08037	11.6
161.05965	5.6
161.09554	5.4
162.06721	7.0
163.07512	37.1
164.08304	9.5
165.09093	9.1
170.18529	1.5
171.08003	12.3
172.08772	1.4
173.80978	1.5
175.07542	16.7
176.08311	14.4
177.09084	26.3
187.07431	1.7
188.08296	10.8
191.10645	100.0
203.10641	46.1
205.12260	18.0
226.93787	1.5
263.23410	1.5
281.85223	1.6
283.09460	1.6
309.14951	1.6
325.14194	2.9
327.15851	56.9
337.27301	68.9
367.18951	9.5
470.99466	1.7
473.26190	7.1
491.23929	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	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28959	0.3
53.03936	0.4
55.01850	0.9
57.03408	1.0
60.66532	0.4
61.02897	0.8
69.03395	2.9
70.06575	0.6
79.05468	3.2
81.03383	0.8
81.07025	0.7
85.02887	6.9
91.05479	1.0
95.04935	0.7
95.08569	0.5
97.02872	2.3
97.06482	1.9
99.04409	0.5
103.05434	2.5
105.07009	33.2
107.04899	0.8
109.02862	0.5
109.06473	2.5
110.85254	0.5
121.06486	1.8
122.03622	0.8
124.02351	0.5
124.05148	1.8
127.03873	1.1
131.04900	1.0
133.06462	39.1
135.08014	0.7
137.05956	55.7
138.06274	1.1
145.06366	0.6
145.10117	0.7
149.09573	0.5
150.06686	0.6
151.07504	0.8
161.05968	0.6
163.07527	2.2
165.09074	100.0
166.09407	0.6
177.09145	0.8
179.10504	0.5
215.10645	2.4
230.16997	0.6
297.89011	0.6
329.17358	7.6
347.18472	8.4
366.43338	0.5
409.81970	0.5
426.33331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01866	1.4
55.05519	0.4
57.03430	0.6
57.36940	0.2
61.02909	1.5
63.76667	0.2
64.16456	0.3
65.03902	0.2
67.05473	0.3
67.60347	0.2
67.62234	0.2
69.03412	2.4
69.07044	0.4
69.17832	0.2
71.04967	0.4
73.02934	0.2
79.05470	2.6
81.03395	1.3
81.07078	0.4
83.01373	0.2
85.02888	7.2
91.05468	1.7
92.64243	0.3
93.07024	0.6
93.56736	0.3
94.04156	0.4
95.04960	1.1
97.02853	2.3
103.05434	1.9
105.07018	34.2
106.07392	0.3
107.04926	0.7
107.08546	0.3
109.02888	0.5
109.06508	2.3
117.07052	0.4
119.08560	0.3
121.06490	1.2
122.03642	0.6
123.04393	0.4
123.08061	0.3
124.05206	1.3
127.03920	1.1
131.04916	0.6
133.06473	39.7
135.04408	1.3
135.08061	0.5
137.05960	52.7
138.06339	0.5
145.06458	0.6
145.10097	0.4
147.04376	0.5
147.07993	0.3
150.06750	0.6
151.07503	2.1
163.07510	1.7
165.09085	100.0
166.09433	0.6
173.09596	0.4
177.09026	1.5
179.10640	0.4
190.09830	0.5
205.12221	1.3
267.09003	0.4
269.11850	0.5
285.10162	0.5
301.14127	0.3
315.12961	0.6
329.13690	0.4
329.17349	5.4
347.18445	11.3
448.31784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88029	0.3
53.03946	0.6
53.36729	0.3
55.01866	0.8
55.05492	0.7
55.35876	0.4
57.03418	2.9
61.02911	3.7
67.05486	2.2
67.79908	0.4
69.03423	5.7
69.07041	2.0
71.04965	0.7
72.00688	0.4
73.02894	0.8
75.44077	0.4
79.05484	1.0
81.03384	4.0
81.07040	3.4
85.02887	20.7
85.06518	0.7
87.04439	0.4
91.03922	0.8
91.05462	2.5
93.07020	0.8
95.04951	0.8
95.08587	0.9
97.02864	7.1
99.04456	0.7
99.08073	5.6
103.03930	0.4
103.05432	2.7
104.63879	0.5
105.07019	6.5
106.07246	0.4
107.04949	1.7
107.08537	0.6
109.02866	2.7
109.10133	2.9
117.06982	2.7
119.08556	0.6
121.06473	0.8
122.03613	2.9
123.04375	0.7
127.03878	1.9
130.07755	0.9
131.04903	6.9
131.08498	0.5
131.57584	0.4
133.06453	4.7
135.04390	1.7
137.05956	100.0
138.06258	0.9
144.05667	1.0
145.04950	2.4
145.06467	9.5
145.10097	19.1
147.04280	0.6
147.08102	0.6
148.05217	0.7
149.05963	1.0
151.03809	0.5
151.07510	4.0
155.08647	0.6
155.12831	0.4
158.07211	3.4
159.08083	0.5
161.05945	2.2
163.07503	7.4
165.09097	7.9
173.09583	32.8
175.07494	1.7
176.08284	1.8
177.09061	3.0
178.09370	0.4
179.06943	0.9
205.12206	70.1
206.94484	0.5
223.13245	14.8
229.14320	2.2
259.09659	0.5
283.09332	0.5
301.47171	0.5
311.12723	0.8
319.23718	0.5
329.13654	0.6
347.14847	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01867	0.7
55.05506	0.8
57.03428	1.1
57.07050	0.9
59.04995	1.0
61.02913	1.2
64.33115	0.6
65.03904	0.6
65.67278	0.4
67.05495	5.2
69.03419	6.2
69.07054	2.1
70.06588	1.0
71.04977	1.0
72.08162	0.5
73.02897	1.2
79.05485	11.4
79.81461	0.5
81.03412	2.1
81.07040	29.0
83.04971	2.3
85.02894	13.7
85.06553	0.8
87.04465	0.9
88.09063	0.6
91.05461	7.5
93.07028	39.0
95.04948	2.5
95.08584	10.2
96.30569	0.5
97.02886	4.5
97.06522	3.4
99.04459	1.1
103.03944	0.7
103.05441	2.3
105.07021	7.0
107.04971	3.7
107.08564	9.5
109.02884	0.9
109.06519	4.9
111.04435	2.8
111.08100	0.9
119.04935	2.1
119.08593	2.8
121.06498	4.6
121.10130	100.0
123.04430	1.0
123.08074	3.8
123.11693	19.7
123.12549	1.0
125.05981	6.6
125.09666	0.6
127.03890	4.3
129.06989	2.4
131.04890	4.2
131.08565	5.0
133.06525	0.6
137.05962	20.3
138.06340	0.8
139.11157	10.5
145.04936	2.0
147.04439	2.3
147.08069	1.2
149.05978	2.1
149.09618	16.8
150.06688	0.5
151.03822	0.8
151.07527	8.4
153.71982	0.5
157.06441	1.0
161.05939	0.8
163.06123	0.8
163.07527	4.1
166.08669	2.8
167.10652	31.8
170.34517	0.5
175.07491	4.1
177.09087	4.7
178.09419	0.9
179.07005	1.0
185.11708	8.2
189.09138	0.8
195.08127	0.6
211.07512	1.0
221.09587	0.8
225.09096	1.1
249.09094	0.8
253.08498	2.3
253.12366	0.6
271.09607	2.3
273.11182	3.2
274.83167	0.5
281.11737	0.7
299.12839	3.7
300.13644	0.8
311.14813	2.3
317.13785	14.1
329.16107	7.1
347.07703	0.6
347.14557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.02980	1.6
55.05503	2.8
57.03418	2.2
63.54483	1.5
67.01450	1.4
67.05486	3.0
67.34496	1.4
69.07049	2.9
70.37062	1.6
79.05453	11.5
81.07021	3.8
85.02869	2.2
89.37787	1.6
91.05445	9.3
94.30415	1.7
97.06501	18.7
103.05444	11.4
105.07027	3.3
105.32061	1.7
107.04934	9.9
119.04943	3.7
120.45955	2.2
121.06475	2.8
124.05124	1.8
129.06938	1.9
130.40959	1.7
131.04898	34.4
131.08528	1.9
133.02823	11.9
133.06456	2.0
135.04396	8.3
137.05949	100.0
142.90460	1.8
145.06418	2.4
147.04404	13.1
147.08160	2.1
149.05971	7.0
151.03827	2.2
151.07510	7.8
161.05894	2.6
162.66966	1.7
163.07486	26.4
175.07510	3.4
178.07698	2.3
179.08464	2.6
189.09015	2.9
194.07285	2.2
195.07921	2.7
203.08438	2.7
206.07271	4.0
207.08029	3.4
208.08804	4.0
209.09660	8.1
211.07596	1.8
217.10098	2.2
219.08037	6.8
221.09624	7.0
222.06682	1.8
222.10326	8.7
223.11137	7.0
225.09126	2.8
227.13895	1.7
231.08073	2.3
232.08812	4.2
233.09491	8.8
233.11700	12.4
234.06665	2.7
234.10356	6.4
235.07535	8.0
235.11072	2.6
236.08246	2.6
237.09041	33.5
237.11320	1.9
237.12486	5.7
239.10626	3.0
245.09508	2.7
247.07364	2.2
247.11113	6.8
248.08058	2.7
249.09053	19.9
249.12738	3.0
250.09776	8.7
251.10495	12.7
252.07617	2.5
253.08525	7.0
260.07980	2.1
261.08981	2.8
262.09842	7.9
263.10608	10.6
265.08585	27.5
265.12186	18.4
267.10019	31.8
269.11652	2.2
275.10638	11.1
277.09131	1.8
277.11975	12.4
278.09335	7.6
280.10883	3.0
281.11716	9.3
283.09628	7.3
285.11136	4.2
289.08643	1.9
291.09998	4.2
293.11649	34.2
295.13251	13.0
302.15695	1.8
305.11795	2.9
309.11176	2.4
311.09286	2.7
311.12695	58.2
313.14285	7.3
329.13742	14.0
329.17233	5.0
337.14282	6.9
349.14575	1.9
355.15671	2.1
357.05591	2.1
429.55505	1.8
491.20526	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	526.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.02980	1.6
55.05503	2.8
57.03418	2.2
63.54483	1.5
67.01450	1.4
67.05486	3.0
67.34496	1.4
69.07049	2.9
70.37062	1.6
79.05453	11.5
81.07021	3.8
85.02869	2.2
89.37787	1.6
91.05445	9.3
94.30415	1.7
97.06501	18.7
103.05444	11.4
105.07027	3.3
105.32061	1.7
107.04934	9.9
119.04943	3.7
120.45955	2.2
121.06475	2.8
124.05124	1.8
129.06938	1.9
130.40959	1.7
131.04898	34.4
131.08528	1.9
133.02823	11.9
133.06456	2.0
135.04396	8.3
137.05949	100.0
142.90460	1.8
145.06418	2.4
147.04404	13.1
147.08160	2.1
149.05971	7.0
151.03827	2.2
151.07510	7.8
161.05894	2.6
162.66966	1.7
163.07486	26.4
175.07510	3.4
178.07698	2.3
179.08464	2.6
189.09015	2.9
194.07285	2.2
195.07921	2.7
203.08438	2.7
206.07271	4.0
207.08029	3.4
208.08804	4.0
209.09660	8.1
211.07596	1.8
217.10098	2.2
219.08037	6.8
221.09624	7.0
222.06682	1.8
222.10326	8.7
223.11137	7.0
225.09126	2.8
227.13895	1.7
231.08073	2.3
232.08812	4.2
233.09491	8.8
233.11700	12.4
234.06665	2.7
234.10356	6.4
235.07535	8.0
235.11072	2.6
236.08246	2.6
237.09041	33.5
237.11320	1.9
237.12486	5.7
239.10626	3.0
245.09508	2.7
247.07364	2.2
247.11113	6.8
248.08058	2.7
249.09053	19.9
249.12738	3.0
250.09776	8.7
251.10495	12.7
252.07617	2.5
253.08525	7.0
260.07980	2.1
261.08981	2.8
262.09842	7.9
263.10608	10.6
265.08585	27.5
265.12186	18.4
267.10019	31.8
269.11652	2.2
275.10638	11.1
277.09131	1.8
277.11975	12.4
278.09335	7.6
280.10883	3.0
281.11716	9.3
283.09628	7.3
285.11136	4.2
289.08643	1.9
291.09998	4.2
293.11649	34.2
295.13251	13.0
302.15695	1.8
305.11795	2.9
309.11176	2.4
311.09286	2.7
311.12695	58.2
313.14285	7.3
329.13742	14.0
329.17233	5.0
337.14282	6.9
349.14575	1.9
355.15671	2.1
357.05591	2.1
429.55505	1.8
491.20526	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	526.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.2
51.24914	0.1
53.03926	0.3
53.95890	0.2
55.01863	0.4
55.05503	0.2
57.03413	0.4
57.99373	0.2
61.02904	0.9
61.06234	0.2
67.05482	0.8
69.03410	2.0
69.07047	0.3
71.04981	0.3
76.03346	0.2
77.69525	0.2
79.05470	1.5
81.03383	1.0
81.07026	1.1
83.04951	0.2
85.02420	0.3
85.02892	6.1
87.04445	0.3
91.05455	1.2
93.06992	0.7
95.04939	1.4
95.08573	0.3
97.02867	1.6
103.05444	5.4
105.06979	1.1
107.04936	0.8
107.08593	1.1
109.02857	0.4
109.06477	1.0
109.10162	0.4
111.04424	0.3
115.05421	1.3
115.49864	0.2
117.06991	2.2
119.04913	0.4
121.06464	0.8
123.04385	1.9
127.03883	1.1
128.06203	0.5
131.04898	17.6
133.06471	1.6
133.10063	0.9
135.04391	33.8
135.07962	1.9
136.04742	0.3
137.05948	7.5
143.08545	2.2
145.06462	1.1
146.85335	0.3
147.04410	0.4
147.08023	0.7
149.05956	3.4
159.08087	0.3
161.05948	49.3
161.09581	9.2
162.06343	0.3
163.07509	100.0
164.07831	0.4
171.08047	2.4
175.07530	1.4
179.08501	0.2
181.08549	2.1
187.07504	0.2
189.09071	24.2
193.08578	0.7
207.10120	20.4
229.14183	0.3
235.07596	0.3
237.08963	0.3
253.08450	0.3
265.08441	0.3
283.09622	3.9
285.11121	4.4
311.12747	4.7
329.13785	7.0
347.14810	1.4
545.50360	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06318	1.7
55.45166	1.9
67.05495	2.7
72.08139	8.2
79.05478	3.9
91.05463	8.3
93.07029	8.0
102.25449	1.9
103.05460	48.1
105.07038	4.8
107.04943	11.2
112.92686	2.1
119.04971	2.9
119.08620	3.1
120.08124	8.5
131.04907	85.8
133.06461	4.7
135.04393	100.0
136.07561	3.6
137.05952	18.8
143.08540	2.7
145.06535	4.6
147.04427	11.1
147.08063	4.4
149.05972	8.4
159.04472	2.8
159.08031	2.8
161.05949	99.1
163.07518	17.5
164.08308	13.3
165.09044	4.9
171.08066	3.1
175.07481	17.4
179.06935	8.2
187.07497	2.9
189.09102	10.8
199.07625	2.9
201.09146	10.1
219.10133	47.9
222.39063	2.1
233.06133	2.1
251.10637	3.2
261.09158	3.7
265.76108	2.3
279.10065	4.0
294.82239	2.7
297.11221	2.7
299.09219	4.6
308.13562	2.4
309.11108	8.7
325.14261	24.9
327.21716	3.0
367.15350	28.1
369.16614	16.7
372.61115	2.3
396.08377	2.1
491.26413	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	525.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85605	5.2
53.06248	4.9
53.94844	5.9
55.05505	54.5
57.07051	31.8
67.05491	52.8
67.58072	6.4
69.07047	71.5
71.08624	6.9
79.05464	40.7
81.07038	84.0
83.08591	45.1
91.05454	26.9
92.84921	7.1
93.07025	51.5
95.08588	100.0
97.06468	13.0
97.10136	33.8
101.23833	7.0
105.06987	14.0
107.08580	35.4
109.10145	42.9
111.08054	9.0
119.08577	8.4
121.10124	57.9
123.11678	10.8
127.07512	7.6
133.10092	29.7
135.11656	38.1
135.91089	6.5
137.13223	7.3
147.11618	6.6
149.13220	9.5
153.12704	7.3
175.18416	6.6
175.35562	7.0
216.00880	7.0
217.19427	39.3
235.20517	39.9
253.21457	55.3
271.22546	53.0
352.58322	7.6
479.26364	6.9
489.43094	10.8
527.97375	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	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01859	2.2
57.03429	1.2
61.02905	2.4
67.05482	0.8
69.03413	5.3
71.04969	0.5
72.08139	0.5
79.05474	2.0
81.03391	2.6
81.07038	1.0
83.04965	0.8
85.02422	0.9
85.02891	17.4
87.04442	0.8
91.05464	9.7
93.07043	0.9
93.56698	0.6
94.04149	0.7
95.04935	4.3
96.33221	0.5
97.02869	6.4
97.06470	0.7
98.03125	0.6
99.04435	1.0
103.03926	0.8
103.05429	3.2
105.06998	2.6
107.04934	2.7
107.08590	4.6
107.09196	0.5
109.02834	2.3
109.06503	2.6
115.05392	0.9
117.06967	2.0
119.04929	11.4
119.08494	0.7
121.06470	10.0
121.10107	1.0
122.03606	3.0
123.04398	7.4
127.03882	3.1
127.07517	2.0
128.06195	1.1
129.06975	10.4
131.04895	10.1
133.06459	2.6
133.10147	0.7
134.03601	0.5
135.04347	3.6
135.07999	0.9
136.05151	0.7
137.05954	100.0
138.06310	0.9
141.06960	1.0
143.04869	0.7
143.08492	0.5
145.04942	1.2
145.06462	2.4
147.04385	8.5
147.08023	3.9
149.05951	19.3
150.06761	2.7
151.03886	1.2
151.07523	41.8
153.05402	0.8
153.06960	0.8
155.10721	0.5
157.06465	8.7
159.08128	0.7
160.05093	1.2
161.05934	9.5
161.09555	2.9
163.07506	53.6
165.06941	4.3
167.08517	2.9
167.10616	0.9
169.06471	0.6
171.08017	0.9
173.06006	0.6
175.07507	25.9
177.09105	0.7
178.07744	1.1
179.08508	1.0
181.06435	0.7
183.08063	2.5
185.11606	1.6
187.07527	2.1
189.09068	9.8
193.06422	4.6
193.08516	1.1
193.10147	2.9
195.08023	6.1
197.05879	1.0
203.08611	0.8
205.08582	0.9
207.08250	1.1
207.10172	4.7
210.06728	3.8
211.07524	7.0
213.09058	6.1
221.05956	7.4
221.09499	4.0
222.69627	0.6
223.07516	3.9
225.05435	0.7
225.09061	5.4
226.06184	0.6
227.10641	2.9
235.07587	0.9
237.09050	0.6
238.06177	2.3
239.06992	7.2
239.10577	0.9
240.07719	1.9
241.08571	6.7
242.05699	0.5
242.62172	0.6
248.08525	0.6
249.09085	1.1
251.06903	1.2
253.08585	8.3
253.12137	6.9
255.10182	1.0
256.07303	0.8
258.08810	4.1
263.10605	0.8
267.10068	2.6
270.08792	2.5
271.09579	20.8
273.11145	11.6
279.10211	0.9
281.11652	3.5
283.09637	1.2
285.11261	2.1
297.11163	2.4
299.09122	3.7
299.12735	16.9
311.12738	0.8
317.13773	94.2
329.10150	1.9
329.13885	2.4
393.83771	0.5
527.24396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36307	1.3
55.05509	25.3
56.18265	1.4
57.07069	2.9
65.03932	1.8
67.05490	42.1
68.99783	6.8
69.07059	34.4
71.04964	1.7
77.73654	1.3
79.05469	11.7
81.07037	41.7
83.08608	19.8
86.09695	4.1
87.10040	1.9
91.05463	10.1
93.07021	13.8
95.04953	2.5
95.08587	48.7
97.10149	12.5
105.07001	2.6
107.04912	14.4
107.08588	7.0
109.10151	17.2
111.11726	2.3
119.04932	23.5
119.08583	8.8
121.10108	3.9
123.04443	1.9
123.11700	3.5
125.40487	1.6
127.00477	2.2
127.03796	1.8
133.10144	2.3
135.11696	7.7
137.13309	2.1
145.06485	2.9
147.04404	21.4
147.11722	2.2
149.06006	3.1
151.03891	3.2
153.12733	2.0
157.06436	11.4
161.13174	2.6
171.04427	3.8
171.08093	2.4
179.03365	75.8
181.06461	2.2
184.07310	7.8
185.05960	10.6
185.07603	2.7
186.07735	6.7
187.07622	4.0
189.05582	2.4
199.07538	1.9
213.05493	8.9
217.19557	7.5
227.07016	2.8
250.37430	2.0
255.06477	100.0
273.07590	11.0
369.55048	1.9
371.26096	1.9
431.24197	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	525.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
54.24042	0.3
55.01866	0.5
57.03414	0.6
59.04970	0.7
65.03922	1.0
66.15618	0.4
69.03410	0.6
70.06566	0.7
73.02894	0.5
74.27520	0.4
79.05493	3.2
80.14089	0.4
81.07030	0.8
85.02890	2.2
86.09701	0.5
91.05462	7.5
93.03369	0.9
93.07038	0.9
94.04195	0.5
95.04892	0.5
95.08570	0.5
95.64420	0.4
97.02856	0.7
99.66406	0.4
101.62012	0.4
103.05447	3.9
105.07011	6.7
106.07342	0.8
107.04939	2.5
107.08567	0.5
108.05721	0.5
109.06483	1.9
111.04425	5.3
112.04785	0.9
114.15572	0.4
115.05448	3.7
117.06981	5.4
119.04926	4.6
119.08566	0.7
121.06495	3.5
122.03606	2.4
123.08035	2.3
125.05988	4.6
126.06241	0.9
128.06206	0.9
131.04921	4.6
131.08517	0.8
132.05687	0.4
133.06459	6.3
134.06749	0.6
135.08009	1.0
136.05199	0.6
137.05956	44.1
138.06291	7.9
141.06979	2.5
143.08563	3.5
144.08905	0.5
145.06439	3.7
147.04324	0.9
147.08026	1.6
148.05141	0.6
149.05969	0.9
149.09624	0.6
151.03889	9.7
151.04956	0.9
151.07521	21.6
152.04234	2.0
152.07857	4.0
153.05473	7.1
154.05759	2.1
158.07201	0.8
159.08083	1.7
160.05179	1.6
161.05971	2.1
161.09633	0.9
162.06718	4.6
163.07552	4.1
165.07025	0.6
165.09088	6.9
166.09453	2.0
169.06479	2.3
170.07208	0.5
171.08006	3.2
172.08435	1.0
173.09634	0.7
175.07523	7.8
176.20018	0.5
177.09076	100.0
178.09457	0.7
179.08565	0.6
181.06555	0.5
181.08571	0.7
186.06783	2.4
188.08269	4.1
189.08759	1.8
195.10075	3.7
201.09067	5.9
203.10648	7.3
204.11017	4.4
205.54968	0.5
207.08035	0.7
221.09666	0.8
221.11694	13.8
222.10222	0.4
222.11969	3.4
223.07384	0.6
224.08183	0.9
233.09599	1.0
235.07452	2.3
238.09839	0.6
253.08540	0.6
267.10065	2.1
269.08069	0.5
281.11560	0.8
293.11615	0.8
295.09521	0.5
299.12747	3.7
325.14258	11.3
327.15808	2.8
328.15988	4.0
345.16995	3.1
346.17105	3.7
525.26550	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	525.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46699	1.0
54.86287	0.7
62.78040	0.8
74.42461	0.8
79.05474	1.5
86.49571	0.8
91.05472	6.3
94.04164	4.0
95.04895	1.0
103.05454	11.2
105.07001	6.1
107.04927	1.6
114.38463	0.8
115.05463	3.1
117.06989	6.5
119.04879	1.2
122.03634	8.5
125.67403	1.1
127.73774	0.9
129.06975	1.2
131.04919	8.9
131.08536	1.3
133.06461	3.7
134.32153	0.8
137.05956	100.0
143.08559	3.6
145.06435	6.6
147.04347	0.9
147.07982	2.0
148.05205	1.6
151.03896	5.1
151.07481	8.3
155.22227	0.9
157.06473	1.4
159.07979	1.2
160.05161	1.3
161.05978	1.1
163.07559	9.2
165.09105	6.4
171.07968	1.4
175.07541	14.7
177.09007	6.4
179.08531	3.4
189.09035	3.6
195.10201	0.8
203.10667	4.3
215.10678	1.6
235.07481	3.2
238.09753	1.5
241.08099	0.9
267.10156	1.3
281.11749	1.6
299.12698	6.0
333.15121	1.0
365.17429	9.4
383.18451	1.2
419.14304	1.0
440.40515	1.0
470.76151	1.0
525.25983	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	525.2332
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.30027	0.6
55.01863	1.3
57.03418	0.6
65.92232	0.6
69.03410	0.9
70.06561	1.6
71.04972	0.8
72.08121	1.0
79.05473	0.7
81.03407	0.8
81.07008	1.0
85.02898	5.1
91.05463	3.5
95.04940	1.4
95.08624	0.6
98.97577	1.1
103.05441	6.9
105.07010	3.6
107.04949	1.1
107.08630	1.0
107.90712	0.6
115.05412	1.1
117.07007	3.9
119.04890	1.1
119.08540	1.1
121.06486	1.4
122.03618	1.6
123.08023	3.0
127.03874	0.9
131.04909	19.2
137.05966	38.9
137.09506	0.7
147.04373	1.1
148.60962	0.6
148.69350	0.7
149.05931	1.4
151.07510	7.3
162.06726	2.9
163.07523	33.7
175.07556	3.7
177.09088	100.0
187.07471	0.8
195.10179	2.7
213.55353	0.7
221.11699	13.1
360.08325	0.7
473.17261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30027	0.6
55.01863	1.3
57.03418	0.6
65.92232	0.6
69.03410	0.9
70.06561	1.6
71.04972	0.8
72.08121	1.0
79.05473	0.7
81.03407	0.8
81.07008	1.0
85.02898	5.1
91.05463	3.5
95.04940	1.4
95.08624	0.6
98.97577	1.1
103.05441	6.9
105.07010	3.6
107.04949	1.1
107.08630	1.0
107.90712	0.6
115.05412	1.1
117.07007	3.9
119.04890	1.1
119.08540	1.1
121.06486	1.4
122.03618	1.6
123.08023	3.0
127.03874	0.9
131.04909	19.2
137.05966	38.9
137.09506	0.7
147.04373	1.1
148.60962	0.6
148.69350	0.7
149.05931	1.4
151.07510	7.3
162.06726	2.9
163.07523	33.7
175.07556	3.7
177.09088	100.0
187.07471	0.8
195.10179	2.7
213.55353	0.7
221.11699	13.1
360.08325	0.7
473.17261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2477
Annotation	Vielanin C
Peak:m/z	Relative Intensity
50.46699	1.0
54.86287	0.7
62.78040	0.8
74.42461	0.8
79.05474	1.5
86.49571	0.8
91.05472	6.3
94.04164	4.0
95.04895	1.0
103.05454	11.2
105.07001	6.1
107.04927	1.6
114.38463	0.8
115.05463	3.1
117.06989	6.5
119.04879	1.2
122.03634	8.5
125.67403	1.1
127.73774	0.9
129.06975	1.2
131.04919	8.9
131.08536	1.3
133.06461	3.7
134.32153	0.8
137.05956	100.0
143.08559	3.6
145.06435	6.6
147.04347	0.9
147.07982	2.0
148.05205	1.6
151.03896	5.1
151.07481	8.3
155.22227	0.9
157.06473	1.4
159.07979	1.2
160.05161	1.3
161.05978	1.1
163.07559	9.2
165.09105	6.4
171.07968	1.4
175.07541	14.7
177.09007	6.4
179.08531	3.4
189.09035	3.6
195.10201	0.8
203.10667	4.3
215.10678	1.6
235.07481	3.2
238.09753	1.5
241.08099	0.9
267.10156	1.3
281.11749	1.6
299.12698	6.0
333.15121	1.0
365.17429	9.4
383.18451	1.2
419.14304	1.0
440.40515	1.0
470.76151	1.0
525.25983	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	525.2327
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.91002	0.3
53.03943	0.3
55.01875	0.4
56.45097	0.3
57.03417	0.4
61.02911	0.4
68.32798	0.3
69.03427	0.7
70.06576	0.5
72.08122	0.3
74.11671	0.3
75.26093	0.3
79.05458	0.7
81.03403	1.8
81.07043	0.7
81.48080	0.3
83.04958	0.5
83.43761	0.3
85.02431	0.3
85.02877	2.3
91.05485	3.2
93.07030	0.7
94.04182	3.5
95.04979	0.8
97.02886	0.6
99.04451	0.3
103.03912	0.4
103.05457	6.4
105.07021	4.1
106.87171	0.3
107.04961	1.6
109.06486	0.5
111.04446	0.7
113.06007	0.5
115.05446	1.3
117.06989	1.6
119.04910	0.6
121.06477	3.0
122.03629	7.6
123.07990	0.4
127.03876	0.7
128.06207	1.4
129.06975	1.6
131.04907	9.6
131.08519	0.5
133.06473	11.7
133.59431	0.3
135.08038	5.3
136.34909	0.4
137.05965	100.0
138.06293	0.6
143.05009	0.4
143.08549	1.5
145.06471	3.7
147.04396	0.6
147.08031	0.5
149.05908	0.6
151.03918	0.3
151.07520	7.6
157.06482	1.6
159.08011	0.6
160.05168	0.3
161.05928	2.1
163.07515	16.7
165.09039	0.4
167.95515	0.3
171.08035	1.6
172.05222	0.4
174.06761	1.8
175.07506	4.2
177.09164	0.5
177.72392	0.3
181.08585	0.4
187.07506	1.7
188.08308	0.5
189.09062	3.4
201.09125	0.6
203.07034	1.3
203.10652	2.5
217.08582	1.6
220.08818	0.5
221.11572	0.3
235.11197	0.4
263.10590	0.5
271.41888	0.4
295.13272	5.7
315.50681	0.3
327.15836	6.5
345.16910	0.3
351.15762	0.5
369.16919	0.3
377.14316	0.3
394.70761	0.3
411.18054	0.5
453.18643	0.4
469.87186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	19.1
56.11533	0.7
57.03432	14.0
57.07069	4.1
58.99903	0.6
59.04987	1.9
65.03931	1.1
67.05495	100.0
69.07054	12.7
71.04974	2.0
79.05479	26.4
81.07040	40.0
82.07368	1.2
83.04985	1.3
83.08614	11.2
84.08965	0.7
85.06534	3.8
87.04479	0.8
91.05461	11.9
92.09282	1.3
93.07024	29.2
95.04948	1.4
95.08591	31.3
96.08936	1.1
97.06512	2.9
97.10112	1.0
102.07791	0.7
105.07019	7.3
106.06573	0.8
107.08566	16.3
109.06497	1.9
109.10144	59.1
110.10443	0.8
111.08087	3.3
114.11302	0.8
117.06993	1.4
118.69211	0.7
119.08574	9.1
121.10133	7.8
122.14791	0.8
122.85637	0.8
123.08020	0.7
123.11704	4.4
131.08574	6.6
133.10120	5.2
135.11664	4.3
137.09627	4.0
142.56715	0.7
145.10104	1.3
147.11702	1.5
149.13297	3.7
149.65665	0.8
155.10617	1.6
159.11671	1.7
161.13277	1.0
163.14729	0.8
173.11746	12.8
173.13130	2.3
215.17851	1.0
229.14320	39.0
233.18994	1.4
251.20039	3.9
261.22028	7.0
269.21054	1.5
279.97543	0.7
298.52310	0.8
317.24707	1.2
323.28403	0.9
335.25757	37.7
488.41568	1.8
489.29019	1.5
489.35699	25.8
506.42776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.2
55.05504	14.2
57.03206	0.9
57.03432	14.0
57.07067	2.2
59.04982	5.0
62.44640	1.1
65.03900	1.0
67.05493	100.0
69.07050	8.8
69.99847	1.1
71.04979	1.9
76.56866	1.0
79.05480	18.8
81.07040	36.9
83.08610	10.3
85.06529	2.4
87.94341	1.0
91.05451	13.7
93.07024	30.0
95.04962	1.4
95.08585	27.1
97.10104	1.3
105.07036	8.1
107.08563	15.9
109.10142	72.3
109.79831	1.1
111.08069	1.9
117.06998	2.0
119.08550	9.3
121.10128	9.4
123.08025	1.0
123.11704	1.3
131.08568	4.5
133.10114	5.2
135.11659	5.6
137.09593	1.8
145.10135	1.4
147.11710	1.6
149.13220	1.9
155.10632	2.2
159.11696	1.9
161.13203	1.3
173.11722	17.1
173.13097	1.8
176.09352	1.0
227.12639	1.0
229.14319	49.3
229.16539	2.1
261.22043	7.9
335.25726	43.6
489.35571	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	524.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.6
55.01863	2.0
55.05510	16.6
57.03430	2.4
57.07072	21.9
67.05498	24.1
69.03406	1.5
69.07053	14.3
79.05476	17.0
81.03412	9.5
81.07040	27.3
83.04981	8.9
83.08611	7.1
85.06496	1.3
85.10173	40.4
91.05474	18.2
92.55467	1.2
93.07029	18.9
95.04954	9.9
95.08597	18.2
95.79298	1.2
97.06521	2.6
97.10140	2.2
100.13158	1.2
105.06384	1.2
105.06977	10.3
105.20364	1.1
107.04967	15.0
107.08594	9.1
109.06500	1.9
109.10143	5.0
113.09633	33.6
117.07036	1.3
119.08548	6.0
121.10129	6.2
123.08047	5.2
129.06984	2.3
131.08531	2.0
133.10132	2.5
135.08072	1.3
135.11653	5.2
145.10045	1.8
147.11673	8.6
149.09590	9.5
149.13246	5.4
151.11185	2.9
161.13322	1.6
163.11162	7.9
165.12732	47.3
171.11690	2.9
175.11177	6.6
177.20061	1.3
179.14397	1.9
181.12227	1.7
195.13841	2.6
209.58043	1.2
241.19484	1.6
259.20590	2.0
268.56805	1.2
277.21594	48.8
295.22647	100.0
307.69067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76864	2.4
55.01860	20.8
55.05508	34.5
57.03435	5.9
57.07059	4.2
59.73644	2.6
61.13807	2.6
67.05198	3.9
67.05492	73.6
69.07050	30.4
71.04985	3.4
71.08617	4.2
78.28668	3.2
78.52052	3.0
79.05477	48.8
81.03411	5.8
81.07034	92.7
83.04955	6.5
83.08601	26.1
85.10167	6.9
88.55093	3.5
91.05450	29.9
93.07018	66.5
93.46384	3.1
95.04940	13.2
95.08578	47.9
97.06512	18.5
105.07028	22.6
107.04917	3.0
107.08564	29.5
109.06484	4.6
109.10133	8.1
111.08064	38.6
113.09603	4.0
115.73443	3.0
117.06966	5.4
117.97301	3.0
119.08550	16.6
121.10158	28.1
123.08060	4.9
131.08553	15.3
133.10097	20.5
135.11668	13.2
135.58539	3.4
147.11649	6.2
149.09590	4.9
149.13226	25.5
151.11127	4.0
153.12753	4.5
158.27733	3.7
159.11659	13.9
165.12726	22.2
177.12753	4.7
186.14191	3.5
195.13745	12.1
219.32492	2.9
249.22058	5.3
277.21597	100.0
295.22546	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87065	2.8
55.05501	8.5
56.64336	3.2
57.03426	5.8
57.07069	92.3
57.85964	3.0
59.05384	3.4
59.79805	3.3
61.02908	6.6
67.05484	28.4
69.07056	20.3
71.08612	70.9
75.04435	4.5
81.03398	5.4
81.07043	41.2
83.08604	24.0
85.02894	7.6
85.10167	39.9
85.51804	4.0
95.08589	64.0
97.10152	20.8
104.10728	6.9
107.08603	5.1
109.10144	21.0
123.11666	8.4
139.42644	3.6
180.47150	3.6
184.07262	4.2
253.25201	24.5
270.94916	4.7
327.28900	100.0
345.29901	17.5
397.29587	4.5
415.30383	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	524.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91500	2.0
55.01851	4.2
55.05503	27.2
58.79680	2.2
59.11728	2.1
67.05498	34.8
69.03378	2.3
69.07049	13.5
71.04971	3.2
72.20103	2.2
79.05473	30.7
81.03375	5.8
81.07035	32.6
83.04945	3.5
83.08602	21.9
85.06495	2.1
88.25957	2.7
91.05453	34.6
92.09285	6.4
93.07024	34.0
95.04940	50.0
95.08587	25.1
97.06475	3.2
97.10146	5.2
105.07006	44.8
107.04946	17.3
107.08549	22.0
108.80791	2.6
109.06512	4.9
109.10132	18.6
111.08063	2.9
117.07008	14.0
119.08555	33.5
121.06457	5.2
121.10114	18.0
123.08013	5.6
131.08537	22.5
133.10100	31.9
135.08023	3.9
135.11684	8.8
139.93542	2.6
143.65707	2.8
145.10141	19.9
147.04390	4.3
147.11652	12.3
149.09575	30.2
151.11185	10.5
155.08549	3.0
159.11667	11.1
163.11137	30.5
173.13240	2.6
205.12331	3.5
212.81311	2.9
221.09383	2.7
223.13260	22.7
239.17821	10.2
257.18933	9.6
273.21768	2.9
275.20007	100.0
293.21082	47.8
356.42450	2.4
369.88770	3.0
384.64813	2.5
391.91992	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	524.3711
Annotation	1-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.03856	0.2
55.05492	1.0
56.05027	0.5
57.03432	1.1
57.07068	6.6
58.06592	1.6
59.07365	0.4
60.08153	22.5
64.00226	0.2
67.05490	1.3
69.07066	0.5
71.07359	8.7
71.08614	3.5
79.05490	0.3
81.07042	2.2
83.08598	1.1
85.10178	2.0
86.09692	71.5
95.08582	2.1
97.10121	0.3
97.84797	0.3
98.80321	0.3
98.98447	4.7
104.10726	98.5
109.10144	1.2
124.99986	45.8
135.60477	0.3
143.01053	0.6
147.04449	0.4
163.01538	1.2
184.07309	100.0
243.56331	0.3
253.25316	0.3
258.10916	0.4
277.08838	0.3
295.52853	0.3
327.28915	2.4
341.30563	1.9
341.96506	0.3
506.35913	5.7
524.37006	36.3
525.37274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81798	0.2
53.03939	0.4
54.81585	0.3
55.01866	1.9
55.05503	0.5
56.98198	0.2
57.03423	1.1
57.17887	0.2
61.02909	1.4
65.21027	0.2
67.05490	0.8
68.19843	0.2
69.03407	3.3
69.07050	1.2
71.04962	0.3
73.02892	0.5
79.05475	4.4
81.03391	1.7
81.07029	2.3
83.04981	0.2
83.08586	0.3
85.02887	11.7
87.04453	0.2
91.03967	0.3
91.05466	3.9
92.05784	0.2
93.07027	1.4
94.04158	0.4
95.04935	1.7
95.08585	1.4
97.02866	3.8
99.04449	0.5
103.03903	0.2
103.05446	4.6
105.07011	44.6
107.04955	0.9
107.08572	0.5
109.02881	1.4
109.06509	3.0
109.10136	0.8
111.04411	0.2
115.05424	0.5
117.07014	1.0
118.38232	0.2
119.04927	2.1
119.08537	1.0
121.06470	0.5
121.10124	0.4
122.03625	1.2
123.04393	0.3
123.08074	0.3
124.05186	2.1
127.03873	1.3
128.06201	1.1
129.07004	0.2
131.04927	2.5
131.08514	0.3
133.06464	48.3
134.06790	0.4
135.04398	0.5
137.05954	74.6
138.06331	0.4
143.08514	2.1
145.04927	1.0
145.06479	0.5
147.07974	0.4
148.05119	0.2
149.05954	0.3
149.13258	0.3
150.06725	1.0
151.07515	9.0
161.06018	0.3
161.09589	0.4
162.06718	0.2
163.07509	2.1
165.09074	100.0
166.09447	0.3
171.07999	1.8
175.07510	1.0
177.09044	3.8
186.57196	0.2
187.07489	0.3
188.08261	2.2
189.09013	0.3
203.10623	3.6
237.08954	0.3
253.08482	0.3
263.10437	0.5
286.11893	0.5
295.13275	0.3
307.26028	0.3
327.15826	14.4
445.46603	0.3
471.19775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01870	3.0
55.05510	32.0
64.33765	2.3
67.05496	39.7
68.86282	2.1
69.03393	2.5
69.07047	17.5
71.04989	3.2
75.04550	2.6
79.05479	38.9
81.03392	14.5
81.07040	45.0
83.04964	6.5
83.08601	22.9
85.06521	3.0
91.05454	47.0
93.07023	41.7
95.04954	57.2
95.08597	23.2
95.09164	2.9
96.51342	2.4
97.06501	4.4
97.10163	6.6
98.64391	2.5
105.07014	54.9
107.04955	16.2
107.08566	28.0
107.18391	3.1
109.06515	6.0
109.10156	24.2
117.07021	13.9
119.08553	28.0
121.06464	4.1
121.10140	20.4
123.08063	4.9
123.11619	3.8
125.09630	6.6
129.06992	5.1
131.08549	20.1
131.48692	2.4
133.10107	43.4
135.08009	5.1
135.11623	4.0
137.09616	3.2
145.10114	25.2
147.07976	3.8
147.11711	12.0
149.09627	28.4
151.11200	11.7
155.08585	3.1
157.10118	4.4
159.11670	13.9
161.13269	3.8
163.11160	30.6
164.03278	2.7
169.10110	3.1
175.11198	3.4
177.12776	3.3
183.11678	3.7
187.14836	3.6
218.65965	2.9
223.13226	20.2
239.17891	4.3
257.18951	10.9
275.20001	100.0
293.21036	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
57.03405	0.6
61.02911	2.9
67.05482	1.3
69.03399	4.7
69.07043	1.6
71.04973	0.7
75.64320	0.6
79.05460	3.7
81.03386	2.9
81.07024	4.1
85.02887	14.7
91.05460	15.2
93.07019	4.1
94.04160	1.2
95.04932	3.7
95.08569	1.7
97.02866	4.6
97.06515	0.8
99.04451	1.0
103.05445	39.5
105.06364	1.0
105.07014	19.4
107.04939	6.4
107.08552	1.1
109.06480	5.0
109.10161	0.9
115.05399	3.8
116.06221	0.8
117.06998	11.6
119.04918	7.2
119.08558	12.0
121.06481	37.6
122.03629	3.5
123.08047	0.7
127.03915	1.0
128.06201	8.9
129.06973	3.1
131.04897	48.6
132.05676	0.9
133.06482	19.6
133.10065	0.8
135.08025	3.3
136.05185	1.0
137.05956	100.0
141.06967	1.0
143.04909	2.8
143.08539	16.1
144.05661	1.0
145.06445	14.7
145.10153	1.1
146.07199	2.9
147.08061	8.0
148.05199	4.8
149.05981	5.3
149.09558	0.8
151.03911	2.9
151.07516	47.2
159.08020	1.7
160.05173	1.7
160.08891	1.0
161.05968	1.2
161.09595	4.3
162.06697	5.2
163.07510	64.2
165.09076	44.1
165.10466	1.4
171.08002	14.1
175.07515	43.4
175.11058	6.1
177.09065	35.7
179.10617	3.1
187.07515	0.7
188.08264	11.1
189.09006	1.8
195.10085	1.7
203.10637	44.9
207.08110	1.5
221.09750	0.9
221.11690	7.2
235.07474	4.0
235.11134	1.0
237.09135	1.1
239.10631	1.1
240.20848	0.8
252.07626	0.9
253.08417	1.2
263.10590	0.9
267.10059	3.5
267.13995	0.8
271.12732	0.6
281.11703	2.7
283.09604	1.7
298.11789	1.5
299.12735	9.6
301.14362	1.3
327.15829	15.2
345.16891	91.3
346.17261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
57.03426	18.8
66.03150	0.8
67.05485	1.9
69.03405	1.8
70.10709	0.8
73.02903	11.6
74.02823	0.9
75.04462	73.4
79.05463	1.4
81.03417	1.4
81.07027	5.3
85.02902	11.2
91.05468	16.4
93.07019	1.3
94.04147	1.2
95.04948	5.2
95.08573	1.3
97.02863	1.7
99.04443	1.1
101.05982	1.1
103.05424	7.3
104.05836	0.9
105.07026	4.4
107.04925	5.8
107.08539	1.2
109.06478	4.8
109.10165	1.2
111.04398	1.3
117.07003	1.8
119.04922	12.9
119.08544	1.7
121.02871	1.0
121.06490	8.0
122.03616	4.7
127.03852	1.0
128.06189	4.3
129.05443	0.9
129.06999	8.8
131.04874	13.0
131.08536	1.7
133.06458	2.2
135.04404	1.3
135.08017	6.0
136.05174	1.2
137.05959	90.7
138.06277	4.9
143.04874	1.4
143.08527	4.7
145.04909	1.2
145.06482	3.8
146.03543	1.0
147.04420	1.9
147.08060	3.6
148.24142	1.0
149.05971	8.9
149.09668	1.3
151.03874	2.1
151.07526	73.1
157.06490	10.2
159.08018	1.1
161.05959	12.7
161.09601	1.4
163.04074	0.8
163.06230	1.6
163.07520	28.3
165.06964	1.5
165.09119	6.6
167.08543	9.2
171.08029	6.2
174.06702	5.9
175.07500	10.0
176.08171	0.9
177.09079	30.9
178.07797	1.8
178.09351	1.9
187.07558	1.2
188.08279	2.0
189.09065	23.2
193.06454	4.4
193.10126	6.0
195.08032	18.2
195.09979	1.6
201.09062	1.0
203.10634	13.8
207.08331	1.1
207.10132	4.0
209.09584	2.1
210.06749	3.5
211.07478	1.4
212.08231	1.6
219.08067	1.3
221.05899	7.3
221.09578	6.7
221.11697	6.6
223.07512	6.6
224.08286	0.9
225.09081	5.7
227.10619	24.8
237.09113	1.6
238.09860	1.7
239.10631	1.5
240.07756	3.8
249.09132	3.0
253.08609	11.5
253.12187	12.1
255.10136	24.8
257.07907	1.3
267.10037	4.8
269.08038	1.4
272.10330	3.5
281.11621	4.7
284.10330	1.2
285.11154	15.1
287.12738	29.7
293.11502	0.9
297.11145	1.4
299.12827	4.0
301.14175	1.2
309.11453	0.9
311.12646	1.6
313.14307	22.8
327.15726	1.4
329.13129	0.9
331.15353	100.0
332.15829	1.5
335.12387	1.1
343.15411	5.0
363.08560	10.0
373.90994	1.0
397.16812	1.1
423.18137	1.2
441.19147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87194	0.3
55.01852	0.7
57.03433	0.6
58.53371	0.3
58.59752	0.4
61.02920	0.7
61.16272	0.4
65.03918	3.6
67.81864	0.4
69.03416	1.8
69.07068	0.6
73.93694	0.3
76.00203	0.4
79.05467	1.8
81.03391	0.6
81.07058	0.6
85.02888	7.7
87.04455	0.5
91.05462	5.9
93.03388	5.1
93.29335	0.5
94.04174	0.6
95.04940	2.1
97.02856	2.6
99.04385	0.5
99.31652	0.4
101.13010	0.4
103.05434	1.7
105.07010	12.8
107.04943	2.1
109.02849	0.6
109.06515	0.7
110.03605	0.8
111.04434	11.3
117.07034	1.0
119.04917	5.1
121.06464	0.9
122.03651	3.2
125.05961	14.2
127.03878	0.5
128.06181	0.7
131.04898	1.7
131.08508	0.7
133.06465	14.5
135.08015	0.9
136.05086	0.4
137.05952	100.0
138.06293	1.9
143.08543	10.3
145.06441	4.3
145.10103	0.5
147.04379	0.7
151.03891	24.1
151.04990	1.9
151.07516	28.9
153.05437	20.1
159.07994	3.5
161.06024	0.6
162.06674	3.2
163.07526	2.4
165.07758	1.0
165.09079	20.2
171.08005	8.5
173.05911	0.9
175.07539	0.9
175.11150	0.4
177.09027	5.5
178.09450	0.9
181.08586	2.5
188.08299	9.2
189.09099	1.6
191.10593	2.1
197.97784	0.4
203.10631	25.8
221.11693	31.5
235.11208	0.5
237.83969	0.5
263.10629	0.6
279.10385	0.6
295.13409	0.6
327.15787	12.2
336.36795	0.5
345.16876	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
57.07044	0.8
59.04979	1.1
61.02913	1.0
61.50661	0.6
65.03923	4.7
67.05492	0.9
68.26408	0.6
68.96863	0.6
69.03423	1.0
69.07055	4.4
70.62880	0.6
73.86343	0.6
79.05489	3.1
81.03390	0.8
81.07039	5.1
83.08645	0.8
85.02890	5.8
91.05458	9.0
93.03395	8.3
93.07043	1.3
94.04189	1.2
95.04958	2.6
95.08588	3.0
97.02869	1.5
100.11237	3.0
102.82009	0.7
103.05463	1.6
105.07011	12.0
107.04941	3.5
107.08555	0.9
109.06531	1.1
109.10160	0.8
110.03655	1.2
111.04431	24.0
115.05463	1.0
117.07024	1.3
119.04929	10.0
119.08518	0.9
121.06509	1.3
121.10134	0.8
122.03631	4.0
125.05970	26.6
128.06189	1.0
131.04903	1.6
133.06464	10.6
133.10155	0.8
135.08104	1.2
137.05962	100.0
143.08556	13.2
145.06528	4.9
147.08029	0.9
151.03929	6.2
151.07529	47.6
153.05453	35.1
154.00249	0.6
159.08012	0.8
162.06754	4.0
163.07562	5.2
165.09091	20.9
171.08051	17.4
172.08694	0.9
175.07547	2.5
175.11194	0.8
177.09042	5.0
181.08627	2.7
182.15375	1.0
188.08296	15.0
189.09152	0.9
203.10649	40.4
221.11688	19.0
273.25656	0.8
309.27939	0.7
327.12039	1.5
327.15811	21.0
345.16922	11.5
383.93188	0.7
492.20261	0.7
523.83154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01859	1.6
57.03436	1.7
57.30378	0.2
61.02923	2.9
69.03419	5.8
70.63660	0.2
71.04981	0.5
72.08165	0.2
73.02893	1.4
79.05437	0.9
81.03401	3.3
85.02894	24.0
87.04453	0.4
91.03944	0.9
91.05482	0.3
95.04950	0.3
97.02878	6.6
99.04440	0.5
103.05488	1.0
105.07020	15.7
109.02873	2.1
109.06536	0.3
111.73515	0.2
115.05429	0.3
117.16438	0.2
122.03624	1.5
124.05206	0.8
127.03901	3.6
127.59192	0.2
131.04886	0.5
132.05270	0.3
133.06473	38.7
137.05962	100.0
138.06319	0.3
144.42049	0.2
145.04933	3.9
151.07507	0.4
152.43428	0.3
163.05998	1.2
163.07445	0.4
165.09088	23.8
175.07399	0.3
183.10141	31.6
189.08888	0.2
203.06972	0.4
230.26115	0.2
271.47534	0.2
291.12253	0.3
309.13330	0.5
334.74603	0.3
419.73563	0.3
479.94443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55452	0.2
52.64333	0.3
54.07198	0.3
55.01853	0.5
55.05497	0.5
55.62133	0.3
57.03418	0.6
57.21101	0.3
58.74826	0.3
64.33202	0.3
66.79694	0.3
67.05495	0.6
69.03416	0.5
72.23574	0.3
72.51665	0.3
73.22662	0.4
79.05470	1.9
81.03402	0.7
81.07017	0.8
84.99688	0.4
85.02885	1.7
89.15659	0.3
91.05467	6.9
93.07002	1.5
94.04129	0.4
95.04946	0.5
95.08556	0.4
97.02840	0.6
103.05457	8.6
105.06998	2.0
107.04932	2.2
108.05738	0.7
109.06512	0.6
115.05440	5.5
116.06203	0.4
117.06995	14.7
119.04930	0.9
119.08541	4.5
121.06491	8.1
122.03643	2.2
123.08073	0.4
128.06204	1.9
129.07037	0.4
131.04913	25.9
131.08499	0.6
133.06442	1.5
133.10098	0.6
134.07230	2.4
135.04326	0.5
135.08018	0.5
137.05957	52.1
143.08548	2.6
144.05705	0.5
145.06462	5.2
147.04396	0.6
149.05939	0.6
149.09584	5.8
151.03932	0.4
151.07550	1.4
153.07042	0.4
161.05936	0.7
162.06726	5.1
162.57504	0.4
163.07515	42.9
165.08949	0.5
171.08025	3.6
177.09081	100.0
178.09409	0.7
188.08264	0.6
203.10646	14.3
205.08511	0.7
229.57945	0.4
327.15854	5.2
363.86014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23824	0.1
55.05506	0.3
63.02369	0.3
64.63976	0.1
67.05493	0.3
69.07053	0.8
76.70063	0.1
78.04717	0.3
79.05487	0.2
81.07088	0.3
81.72836	0.1
83.08598	0.3
89.03898	8.7
91.05469	0.8
92.08665	0.3
93.07014	0.3
95.08588	0.3
97.10143	0.2
103.05428	0.6
106.04169	0.8
109.10174	0.2
117.03359	38.4
121.10089	0.2
124.05202	0.3
134.03586	2.5
135.03481	0.3
135.04398	3.2
145.02829	87.9
147.04382	0.2
149.05962	13.9
158.05949	0.3
163.03886	1.7
177.05434	100.0
178.05766	0.3
186.05498	1.2
195.06468	0.3
251.09163	0.2
267.12958	0.2
286.39426	0.2
428.20651	0.2
505.31451	4.3
523.29993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39391	1.8
57.03429	34.6
59.04980	3.7
61.02892	4.1
61.34986	1.8
65.17743	2.0
69.03413	100.0
69.38718	2.0
70.31267	2.0
73.02905	3.6
74.76076	2.1
75.04461	8.7
80.91780	1.9
81.03394	4.2
85.02886	76.1
86.38445	2.1
87.04452	47.9
93.03349	2.7
97.02874	79.5
98.97559	2.6
107.04911	4.5
107.33891	2.3
109.02887	2.4
110.07111	2.7
111.04424	11.0
115.03908	50.4
125.05956	26.2
133.04944	49.1
133.06467	2.6
135.04387	4.3
135.07999	2.4
136.06161	10.7
137.05923	3.8
145.04921	3.0
149.05959	47.1
150.07597	9.4
151.03972	2.3
153.05446	73.7
160.31427	2.4
163.07489	8.4
167.06981	15.3
177.05473	8.1
180.08769	2.3
189.08810	2.5
191.07051	21.1
195.06491	83.9
213.07515	4.0
215.09183	2.4
219.06435	3.0
237.07536	5.0
291.08563	4.9
309.09552	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	524.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
54.35737	0.2
55.01848	1.5
55.28426	0.2
57.03421	1.7
58.73051	0.2
61.02911	4.2
67.08293	0.2
69.03062	0.4
69.03408	6.7
71.04956	0.4
73.02880	1.0
79.05462	1.0
81.03401	2.6
85.02887	26.8
87.04442	1.0
91.03926	1.0
91.05477	0.3
95.04925	0.5
96.25789	0.2
97.02867	7.3
99.04428	1.0
101.02343	0.3
103.03902	0.3
103.05430	1.4
105.07011	19.7
107.04960	0.3
109.02878	2.1
109.06500	0.6
111.04430	0.2
115.05495	0.3
121.02703	0.3
122.03609	1.5
124.05157	0.3
127.03897	4.1
131.04897	1.3
132.05188	0.3
133.06464	41.5
137.05951	100.0
145.04941	3.7
151.03865	0.3
151.07539	0.5
157.06522	0.3
163.06009	1.3
163.07423	0.4
165.09068	24.8
183.10126	34.3
191.06996	0.4
203.07095	0.3
207.10063	0.3
249.11198	0.3
273.11197	0.2
291.12250	0.4
309.13269	0.3
325.11047	0.3
417.02673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.1
55.05511	1.3
57.03428	0.8
57.07069	0.3
61.89638	0.1
62.01601	0.1
62.28397	0.1
63.02363	0.2
67.05503	0.7
69.07060	1.4
71.08609	0.2
78.04677	0.2
79.05462	0.6
79.16012	0.1
81.07035	1.2
83.08600	1.0
84.06134	0.1
84.85773	0.1
89.03896	7.1
91.05450	0.7
93.07015	0.6
95.04961	0.2
95.08588	0.7
97.06503	0.2
97.10162	0.6
103.05423	0.5
106.04149	0.3
107.08591	0.2
109.10140	0.2
111.66110	0.1
117.03362	32.6
118.40762	0.1
119.04917	0.2
121.06515	0.2
121.10136	0.3
124.05227	0.1
124.99925	0.1
134.03598	2.4
135.04387	2.6
135.11671	0.1
139.18466	0.1
139.75673	0.2
145.02831	81.2
149.05962	12.2
158.05989	0.2
162.03070	0.3
163.03857	1.5
177.05437	100.0
178.05786	0.3
184.07361	0.2
186.05406	1.0
195.06468	0.5
251.09114	0.9
283.18396	0.1
329.26788	0.6
384.27258	0.1
505.31549	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	522.3555
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05498	2.4
56.05021	0.6
57.03413	0.8
57.07083	0.5
58.06597	0.8
60.08154	20.8
63.26492	0.4
64.33332	0.5
67.05493	1.0
69.07047	3.3
71.07357	8.0
71.08613	0.6
81.07041	2.9
83.08598	2.1
86.09692	71.5
87.48312	0.4
93.07024	1.9
95.08585	1.8
97.10165	0.8
98.98447	4.6
104.10731	100.0
107.08566	0.6
109.10107	0.6
121.10115	0.7
124.99987	41.1
135.11658	0.6
149.13199	0.5
163.01561	0.6
165.78889	0.5
169.44550	0.4
184.07312	99.2
189.29967	0.5
192.51193	0.5
251.23804	0.5
282.21225	0.4
339.28912	2.3
504.34265	8.2
522.35468	36.0
523.35065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01859	7.0
55.05504	18.4
57.03429	4.8
57.07068	1.8
67.05494	49.3
69.03394	2.3
69.07059	17.6
71.04970	5.1
71.50313	1.2
73.25253	1.4
79.05050	2.0
79.05478	39.0
81.03401	5.5
81.07038	100.0
83.04967	5.2
83.08596	10.0
84.80425	1.1
85.06557	1.3
91.05461	25.2
93.07025	48.6
95.04959	12.3
95.08584	29.9
97.06503	7.3
97.10141	1.8
99.08088	1.6
101.02398	1.1
105.07016	25.2
107.04951	9.7
107.08575	28.6
109.06502	22.9
109.10136	7.2
111.08062	5.3
117.07011	12.6
119.08569	19.2
121.06467	6.7
121.10126	14.1
123.08051	5.6
123.11659	2.6
129.07008	4.6
131.08533	16.6
133.10109	17.0
135.08070	4.9
135.11693	9.4
137.09592	2.4
145.10083	10.3
147.07997	1.6
147.11655	13.3
149.09621	7.9
149.13229	16.3
151.11186	2.6
159.11674	11.8
161.13248	1.4
163.11124	5.5
165.12677	1.8
171.11581	1.1
173.09567	1.1
173.13243	5.1
175.11168	1.5
177.12689	2.1
183.11530	1.2
195.13795	9.4
201.12630	1.4
212.84277	1.2
229.19501	2.4
239.17979	1.6
241.19627	1.3
257.18991	7.4
275.19998	77.7
293.21118	28.1
469.33118	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	522.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.7
53.03937	2.7
53.55811	0.6
54.54271	0.7
55.01874	5.3
55.05506	31.7
57.03419	1.7
61.75024	0.6
67.05492	37.0
67.39376	0.7
69.07060	15.5
71.04970	2.8
79.05477	32.4
81.03401	10.2
81.07041	42.9
83.04971	8.1
83.08606	26.6
85.06509	1.1
91.05463	34.4
93.07028	37.6
95.04949	39.3
95.08586	22.4
95.18466	0.6
97.06517	8.6
97.10155	5.1
99.08054	0.9
103.05489	1.0
105.07017	36.8
107.04938	14.0
107.08582	24.6
109.06519	7.6
109.10142	10.0
111.08090	5.2
115.05434	0.7
117.07007	16.3
119.08563	29.6
120.55685	0.7
121.06512	7.8
121.10130	17.8
123.08038	4.8
123.11702	1.6
125.09654	5.7
129.06984	4.2
131.08548	16.3
133.06442	0.8
133.10112	27.7
135.08037	4.6
135.11678	9.3
137.09586	4.1
141.06975	1.1
143.08536	4.5
145.06471	2.6
145.10124	19.5
147.08061	3.4
147.11688	14.3
149.09607	24.8
149.10712	1.4
149.13260	5.8
151.11174	5.4
155.08528	3.6
157.10133	2.6
159.11664	11.3
161.09578	2.8
161.13243	5.3
163.11139	30.8
163.12492	1.3
165.12766	3.0
169.10109	3.8
171.11647	3.8
173.09595	2.7
173.13145	5.3
175.11154	1.6
177.12756	4.7
181.12267	0.8
183.11707	3.5
187.11157	3.1
189.11166	2.5
189.12703	1.5
191.10698	1.0
191.14336	0.9
195.13824	6.0
197.13261	1.7
201.12628	1.3
205.12294	1.0
211.14824	1.0
215.17944	0.7
223.13268	17.3
229.19510	3.6
239.17955	7.9
247.20615	1.3
257.18991	13.0
275.20026	100.0
276.16885	0.8
291.19733	0.8
293.21078	43.9
294.21368	1.0
413.74951	0.9
498.14963	0.8
507.54297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84442	0.2
55.05502	0.4
56.05025	0.2
57.07056	0.2
58.06591	0.3
60.08152	10.0
62.57810	0.2
69.07050	0.8
71.07355	3.8
77.27901	0.2
83.08637	0.4
86.09692	46.4
92.62768	0.2
98.98443	4.0
104.10714	3.4
124.99982	35.2
152.91869	0.2
184.07310	100.0
192.81458	0.2
258.85458	0.2
347.58090	0.2
355.34293	0.3
384.03833	0.2
453.09036	0.2
504.34210	1.2
522.35480	3.8
531.55890	0.2
533.77338	0.2
546.86285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
53.28087	1.7
55.01856	3.6
55.05497	9.7
57.03433	37.9
57.07049	2.3
61.02917	18.8
66.53436	2.0
66.88074	1.9
67.05486	12.4
69.03416	30.7
69.07065	16.9
70.20381	1.9
71.01333	30.7
71.04961	2.8
73.02906	49.6
79.05486	8.1
79.17797	1.9
80.38718	2.1
81.03397	8.5
81.07043	22.2
83.04959	11.2
83.08608	3.4
85.02887	96.9
85.06514	10.0
87.04446	4.9
91.03937	2.8
91.05457	13.9
92.60086	2.0
93.07003	22.0
93.74030	2.2
95.04964	21.2
95.08589	31.4
97.02870	24.3
97.06496	10.9
99.04430	4.3
103.03938	9.0
103.05415	2.3
105.07001	46.3
107.04935	4.6
107.08575	35.6
108.77847	2.3
109.02866	9.0
109.06495	15.1
109.10150	25.2
111.04439	9.5
111.08056	2.5
113.05985	3.7
115.03915	12.7
117.07008	4.5
119.08559	89.7
120.08073	2.7
121.06487	8.9
121.10114	49.1
123.08015	5.0
123.11677	10.3
125.05968	11.6
127.03857	4.7
129.05461	3.5
129.06935	4.3
131.04883	3.0
131.08554	26.3
133.04919	4.4
133.06473	4.3
133.10109	80.3
135.08029	5.0
135.11702	5.1
137.05957	9.0
137.09599	9.8
139.07457	3.0
142.07732	2.7
143.07036	5.2
143.08534	16.9
145.04958	2.8
145.06377	2.5
145.10095	58.2
147.06508	18.4
147.07982	5.0
147.11679	46.2
149.09630	4.3
149.13203	4.0
155.08533	4.3
156.09348	2.8
157.10089	22.6
158.10890	4.3
159.07993	5.0
159.11673	29.2
160.12451	2.5
161.09593	15.5
161.13147	3.5
163.07530	2.5
163.11122	2.2
165.12704	3.1
167.10716	2.7
169.10072	14.0
170.10925	4.6
171.08012	3.2
171.11618	16.6
173.09651	9.6
173.13228	52.8
175.11227	2.8
175.14787	95.5
177.09099	5.2
177.16225	2.7
181.08574	4.4
181.10139	4.5
183.11656	13.1
185.09596	8.9
185.13225	14.5
187.11156	12.4
187.14751	32.2
189.16368	11.5
191.14279	5.1
193.10031	2.9
193.15837	21.9
195.11703	3.3
196.12457	3.8
197.09586	4.3
197.13300	4.7
199.14757	16.4
201.12634	3.2
201.16411	2.5
201.59769	2.2
203.10619	3.5
209.13405	3.0
211.14848	10.0
213.12558	2.6
215.10713	2.9
217.15843	13.0
220.12419	2.8
223.14810	2.4
229.15910	8.5
233.11722	3.0
235.16901	2.9
235.85341	2.5
241.15816	10.6
253.15881	14.0
259.16821	8.9
271.16885	39.1
288.73788	2.1
289.17963	56.6
290.04190	2.7
293.56784	2.8
307.18988	100.0
325.20163	24.9
450.04663	2.6
451.22968	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	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
54.81203	1.0
55.01856	8.0
55.05508	10.3
57.03426	41.2
57.07058	4.7
59.04979	2.4
61.02919	19.8
67.05490	10.7
69.03419	29.8
69.07051	19.4
70.06570	4.7
71.01340	21.7
71.04962	8.4
72.08115	1.0
73.02899	63.2
79.05473	11.3
81.03395	9.3
81.07038	17.3
83.04971	17.4
83.08588	5.1
85.02892	100.0
85.06514	7.4
86.09679	1.5
87.04454	5.2
91.03940	2.1
91.05466	13.2
93.07024	20.9
95.04945	16.8
95.08588	29.0
97.02880	20.7
97.06497	10.7
99.04424	7.8
99.08098	1.4
101.15423	1.1
103.03928	9.6
103.05438	1.4
105.07011	36.7
107.04902	2.1
107.08584	42.0
109.02851	2.0
109.06504	13.3
109.10142	18.3
111.04432	11.1
111.08041	2.4
113.05989	1.7
115.03902	14.2
117.06995	9.8
119.03352	1.3
119.07720	2.5
119.08563	67.0
120.08152	1.2
121.06493	9.1
121.07317	1.1
121.10117	49.4
123.08051	11.4
123.11633	8.4
125.05964	10.5
127.03893	5.3
129.05466	7.0
129.06969	5.8
131.08527	24.8
133.04967	4.7
133.06447	4.7
133.10106	74.5
135.08017	7.0
135.11676	22.6
137.05922	9.7
137.09587	6.7
139.07520	1.8
141.06955	1.7
142.07742	2.1
143.07011	7.4
143.08481	11.6
144.09312	1.9
145.04904	2.2
145.06435	1.7
145.10109	39.5
147.04451	1.4
147.06509	17.0
147.08002	6.0
147.10596	2.2
147.11673	44.1
149.04482	1.6
149.06001	1.7
149.09573	6.1
149.13234	6.5
151.07484	1.4
151.11166	2.5
155.08551	6.3
156.09285	2.7
157.10077	16.1
158.10841	6.4
159.08018	7.4
159.11646	25.6
160.12485	2.2
161.08070	4.9
161.09579	15.7
161.13208	7.0
163.07568	2.4
163.11160	2.7
165.12692	5.2
167.08481	1.8
167.10602	2.0
169.10077	10.1
170.10884	7.1
171.08026	2.3
171.11630	7.3
173.08281	1.3
173.09627	8.3
173.13219	41.2
175.11137	5.9
175.14789	81.2
177.16341	4.7
179.10663	20.0
181.10066	5.0
182.10909	1.4
183.11580	2.9
185.09570	4.5
185.13197	14.4
187.11145	11.1
187.14783	28.4
189.09088	1.3
189.12776	1.2
189.16409	8.4
191.14265	6.4
193.10175	1.2
193.15863	17.8
195.11743	2.4
196.12390	2.1
197.09818	2.9
197.11679	54.4
197.13168	4.6
199.14825	12.6
201.12698	2.3
201.16313	2.5
203.10577	1.8
203.14310	2.0
205.12225	2.3
205.15843	1.9
211.14790	7.6
215.10735	2.3
215.14264	5.0
217.15889	10.0
225.12785	1.6
225.16338	2.5
227.12558	2.0
229.12308	1.3
229.15877	7.6
235.14729	2.0
235.16858	1.9
241.15761	8.3
243.17477	1.4
245.15332	1.7
251.12828	1.3
253.15836	8.8
259.16885	6.7
271.16873	32.1
289.17902	47.0
307.18979	80.0
325.20010	20.6
343.12119	1.4
359.17291	1.4
437.64816	1.2
445.50421	1.2
451.22479	4.0
452.58041	1.4
469.23880	2.1
522.20953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10720	1.0
53.03930	1.7
55.01860	3.0
55.05496	9.4
57.03429	34.7
57.07061	2.3
59.04986	1.8
61.02911	16.5
67.05490	6.7
69.03414	22.9
69.07043	10.3
70.06578	2.3
71.01328	16.0
71.04984	6.4
73.02900	50.3
75.04455	1.2
77.17097	1.0
79.05476	6.1
81.03395	13.4
81.07041	12.9
83.04928	8.7
83.08614	4.9
85.02888	100.0
85.06548	5.9
87.04459	4.8
91.05484	6.5
93.07018	17.3
95.04946	12.1
95.08585	19.8
97.02864	24.6
97.06504	7.2
99.04436	28.0
101.02399	1.1
101.14248	1.2
103.03915	51.8
103.05439	2.8
105.07008	26.3
107.04896	2.2
107.08569	30.7
109.02891	9.3
109.06512	7.9
109.10136	14.6
111.04419	5.9
111.08062	4.4
113.05999	1.8
115.03917	10.4
116.15253	1.3
117.07000	7.2
119.04907	1.3
119.06055	1.6
119.08556	47.6
121.06483	6.0
121.10122	38.1
122.29176	1.2
123.08052	5.5
123.11684	6.9
125.05979	4.7
127.03889	45.1
129.05450	1.9
129.07001	4.6
131.04922	4.5
131.08549	18.7
133.04918	7.9
133.06512	5.3
133.10104	54.9
135.08003	5.2
135.11646	10.3
137.05933	17.6
137.09605	6.0
139.07530	1.5
142.07764	2.3
143.07030	2.6
143.08493	10.9
145.04951	17.6
145.06407	1.7
145.10095	30.0
146.07288	1.4
147.06511	8.8
147.08026	5.8
147.11670	31.8
149.09619	2.5
149.13249	2.9
151.07532	5.9
155.08513	2.9
156.09300	1.5
157.10086	12.3
158.10895	6.1
159.07973	2.1
159.11650	15.8
161.08273	1.8
161.09496	9.5
161.13242	6.7
163.03909	1.6
163.05977	14.1
163.07385	3.9
165.09091	1.5
165.12727	1.7
167.08563	1.5
169.10094	6.5
170.10864	5.2
171.11609	5.8
172.12491	1.7
173.09589	6.2
173.13223	29.8
175.07573	1.9
175.11147	2.1
175.14772	57.6
175.37489	1.3
177.16331	5.0
179.10632	1.6
181.08589	5.1
181.10086	2.5
183.11688	8.1
184.12427	1.8
185.08009	1.5
185.09610	4.6
185.13251	12.3
187.05994	1.5
187.11143	8.6
187.14787	23.1
189.08958	1.5
189.12721	1.4
189.16348	7.4
191.14272	6.2
193.15892	10.8
195.11688	1.8
197.13293	4.9
199.11108	1.6
199.14763	11.9
200.97955	1.4
203.10654	1.6
205.15897	2.1
209.13335	2.1
211.14784	6.0
215.10506	1.8
215.14323	4.4
217.15897	8.0
223.14796	1.8
225.16483	2.8
227.12616	1.9
229.15834	6.7
235.16994	1.8
241.15891	7.4
245.15315	1.5
248.44099	1.2
251.12907	1.4
253.15805	9.3
259.16861	7.2
271.16864	31.3
289.17911	33.9
307.10059	1.4
307.18976	64.4
308.07059	1.4
325.20044	11.4
451.23071	5.1
469.24252	1.6
487.25308	1.3
522.21478	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01855	1.8
55.05500	1.9
57.03423	5.4
61.02913	2.0
67.05513	1.4
69.03418	15.7
69.07044	1.0
70.06582	15.3
71.04977	6.7
72.08128	1.4
72.24126	1.0
73.02901	6.1
79.05473	1.4
81.03397	18.0
81.07041	1.2
83.04975	1.3
85.02893	80.7
86.09708	1.6
87.04451	1.3
91.05466	2.5
93.06992	1.1
95.04974	4.0
95.08615	1.5
96.96010	1.0
97.02878	31.0
99.04436	59.0
103.03924	100.0
103.05448	4.6
105.07006	6.7
107.08589	5.9
109.02872	22.2
109.06516	2.4
109.10165	1.6
112.13638	1.0
115.03915	1.2
117.92784	1.1
119.08543	2.5
120.08096	1.1
121.06477	2.0
121.10094	2.4
123.08088	1.6
123.11675	1.3
127.03896	96.5
131.04889	9.4
131.08514	1.3
132.05267	1.1
133.10104	6.4
135.11665	4.7
136.17334	1.0
137.05963	35.4
145.04945	36.8
145.06517	1.7
145.10059	1.7
147.04411	2.2
147.11684	2.4
149.05937	1.1
151.07605	1.6
157.10077	1.5
159.11679	1.6
161.09676	1.6
163.06003	28.4
163.07520	5.9
168.96898	1.1
169.04939	1.3
173.13333	1.7
175.07494	3.7
175.14787	1.9
179.06947	1.4
179.10672	4.7
181.08629	2.2
187.05940	1.6
187.07625	1.1
197.11653	8.7
198.12065	1.6
203.06917	1.3
205.07060	1.3
223.09558	1.4
250.04965	1.0
265.10596	2.5
271.08041	4.0
271.16885	1.6
289.09320	1.7
289.11038	3.7
289.17947	4.4
307.09821	8.0
307.19110	3.9
367.13870	1.3
429.22552	1.3
504.21600	1.5
521.21661	6.6
522.22101	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	522.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.1
55.05508	24.5
57.03430	19.5
57.07066	5.8
63.46103	1.1
65.03893	1.1
67.05489	42.4
69.07052	31.5
74.17488	1.3
79.05471	14.7
81.07037	48.0
81.88454	1.2
83.04968	1.8
83.08592	13.7
88.03982	12.5
91.05443	11.4
93.07030	15.9
95.08578	39.8
97.06511	9.2
97.10154	6.9
98.98441	12.8
105.07011	9.2
106.04996	1.3
107.08572	6.7
109.10138	14.8
113.16008	1.4
119.08566	3.3
121.10098	6.7
123.08018	1.9
123.11674	8.2
129.05469	5.8
133.10098	8.7
135.11732	1.9
147.11679	3.3
161.13208	2.5
175.14734	1.7
193.04871	1.8
215.72818	1.4
245.22519	7.0
337.27295	100.0
350.27188	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.2
53.03931	1.0
54.25900	0.7
55.01868	7.5
55.05506	32.8
57.03426	18.5
57.07058	5.6
60.04522	1.0
67.05142	1.6
67.05494	48.3
69.07055	30.3
73.02885	3.3
79.05478	18.6
81.07043	47.1
81.07535	1.1
83.08604	20.6
85.06546	1.0
88.03976	15.8
91.05455	15.9
93.07018	16.8
95.08589	46.8
97.06509	13.2
97.10163	6.5
98.98441	16.0
101.53712	0.8
105.07012	8.7
106.04989	1.1
107.08584	7.6
109.10137	19.1
111.08109	1.6
117.90756	0.9
119.08553	10.5
121.10124	8.8
123.08043	1.3
123.11684	7.8
129.05464	13.3
133.10118	9.1
135.11665	2.2
137.05969	5.8
145.10150	1.1
147.04488	0.9
147.11655	3.6
155.01039	1.8
161.13199	6.2
161.79976	1.0
162.06781	3.7
163.14751	1.2
173.02119	1.6
175.14865	1.3
191.10672	1.8
245.22563	10.8
263.23560	1.9
310.11612	1.0
337.27307	100.0
350.26727	2.0
487.20911	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	522.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.1
53.03941	0.1
57.03438	0.2
61.02905	0.6
69.03409	1.1
71.04971	0.2
80.07689	0.1
81.03393	0.3
85.02892	3.3
85.03368	0.3
92.63874	0.2
93.88576	0.1
94.18700	0.1
95.04971	0.3
97.02879	1.1
97.03402	0.1
99.04489	0.1
102.00570	0.1
103.05453	33.6
105.07069	0.2
109.02882	0.3
127.03884	0.6
131.04909	100.0
132.05260	0.5
133.06477	0.2
137.05945	1.1
145.04936	0.7
147.35118	0.1
163.07513	26.2
165.09140	0.2
175.07547	0.1
177.09074	2.3
221.11856	0.1
324.26083	0.1
360.14633	0.6
405.87042	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01855	1.8
55.05500	1.9
57.03423	5.4
61.02913	2.0
67.05513	1.4
69.03418	15.7
69.07044	1.0
70.06582	15.3
71.04977	6.7
72.08128	1.4
72.24126	1.0
73.02901	6.1
79.05473	1.4
81.03397	18.0
81.07041	1.2
83.04975	1.3
85.02893	80.7
86.09708	1.6
87.04451	1.3
91.05466	2.5
93.06992	1.1
95.04974	4.0
95.08615	1.5
96.96010	1.0
97.02878	31.0
99.04436	59.0
103.03924	100.0
103.05448	4.6
105.07006	6.7
107.08589	5.9
109.02872	22.2
109.06516	2.4
109.10165	1.6
112.13638	1.0
115.03915	1.2
117.92784	1.1
119.08543	2.5
120.08096	1.1
121.06477	2.0
121.10094	2.4
123.08088	1.6
123.11675	1.3
127.03896	96.5
131.04889	9.4
131.08514	1.3
132.05267	1.1
133.10104	6.4
135.11665	4.7
136.17334	1.0
137.05963	35.4
145.04945	36.8
145.06517	1.7
145.10059	1.7
147.04411	2.2
147.11684	2.4
149.05937	1.1
151.07605	1.6
157.10077	1.5
159.11679	1.6
161.09676	1.6
163.06003	28.4
163.07520	5.9
168.96898	1.1
169.04939	1.3
173.13333	1.7
175.07494	3.7
175.14787	1.9
179.06947	1.4
179.10672	4.7
181.08629	2.2
187.05940	1.6
187.07625	1.1
197.11653	8.7
198.12065	1.6
203.06917	1.3
205.07060	1.3
223.09558	1.4
250.04965	1.0
265.10596	2.5
271.08041	4.0
271.16885	1.6
289.09320	1.7
289.11038	3.7
289.17947	4.4
307.09821	8.0
307.19110	3.9
367.13870	1.3
429.22552	1.3
504.21600	1.5
521.21661	6.6
522.22101	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	521.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05501	4.0
56.80566	0.2
57.03431	1.9
57.03654	0.2
57.07071	0.3
63.02376	0.2
67.05493	5.4
69.07052	4.1
79.05469	2.6
81.07035	5.3
83.04991	0.2
83.08590	1.6
89.03890	6.2
91.05434	1.8
93.07027	2.5
94.64080	0.2
95.04932	0.3
95.08579	5.1
97.06525	0.2
97.10145	0.3
105.07001	0.8
107.08572	0.9
109.10152	1.0
115.81939	0.2
117.03358	25.7
118.59400	0.3
119.08597	0.4
121.06492	0.2
121.10130	0.9
133.10153	0.5
134.03619	1.7
135.04398	1.7
135.11647	0.5
137.05974	0.3
145.02824	67.5
149.05956	8.5
149.07100	0.4
158.05981	0.2
162.03067	0.3
163.03882	1.3
177.05429	100.0
186.05472	0.5
195.06493	0.9
195.92924	0.2
235.20551	0.3
236.12657	0.2
251.09198	0.3
284.72226	0.2
339.82922	0.2
503.30072	2.6
521.31232	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14558	1.5
53.03939	3.5
57.03431	3.6
61.02917	4.0
63.15389	1.9
67.71008	1.7
69.03434	19.5
70.06577	28.5
71.04977	8.1
72.08132	3.2
73.02886	4.1
73.32303	2.0
78.04242	1.7
81.03402	25.9
83.04952	2.5
84.08116	2.2
85.02888	78.5
85.03370	3.8
86.06056	2.1
87.04441	8.0
91.05468	3.8
91.27267	2.1
94.41561	2.1
95.04952	2.0
97.02869	45.6
99.04426	62.6
99.05026	3.5
103.03924	95.8
103.05451	7.6
104.07107	3.1
105.07021	2.8
107.08601	2.3
109.02873	26.3
114.36356	1.7
119.08554	2.2
120.08087	2.6
121.10159	1.8
121.24052	1.7
123.08018	2.5
127.03896	100.0
127.04821	3.8
129.01143	1.7
131.04889	16.5
136.07596	9.9
137.03922	1.7
137.05954	30.5
145.04924	44.5
145.10150	2.6
147.11630	2.3
151.03874	3.0
163.03865	3.7
163.06003	29.9
163.07382	7.1
175.07515	2.8
203.06932	2.2
205.07059	2.5
271.07947	2.5
307.10208	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	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96189	0.2
55.05494	1.4
56.05029	0.5
56.72537	0.2
57.03413	0.2
58.06587	1.0
59.07386	0.2
60.08153	19.6
67.05491	5.2
69.07050	1.9
71.07359	6.8
76.56386	0.2
79.05477	1.6
81.07043	3.9
83.08595	1.1
86.09690	66.2
91.05463	0.5
93.07018	1.1
95.08583	3.0
98.98433	4.9
104.10724	82.6
105.07001	0.4
107.08607	0.4
109.10138	1.3
119.08596	0.3
121.10083	0.4
123.11646	0.3
124.99978	40.1
130.00815	0.2
133.10118	0.5
143.01006	0.2
154.94124	0.3
163.01537	0.5
184.07306	100.0
185.07536	0.2
249.22078	0.3
258.11005	1.1
323.25803	0.3
337.27194	0.4
386.26199	0.2
443.25406	0.3
502.32864	6.9
520.33887	30.9
521.33923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67521	0.2
52.53420	0.3
54.81742	0.3
55.01854	0.5
55.05492	1.9
56.05021	0.8
57.03406	0.6
57.07048	0.5
57.27435	0.3
58.06587	0.5
60.08151	20.1
67.05191	0.3
67.05482	3.1
69.07044	1.9
71.07353	8.2
79.05468	1.4
81.07039	3.7
83.08597	0.6
86.09687	70.2
91.05441	1.3
92.63945	0.3
93.06995	1.2
95.08588	2.6
98.98450	6.0
104.10720	85.1
109.10162	0.6
111.08021	0.3
124.99976	40.6
133.10052	0.5
136.89197	0.4
154.94257	0.5
171.46001	0.3
172.95146	2.5
181.02661	0.8
184.07301	100.0
190.96266	1.5
228.97775	0.6
258.10983	0.6
272.43237	0.3
337.27298	0.7
502.32819	7.1
520.33911	26.4
521.21814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	3.1
53.03933	1.9
55.01859	1.7
55.05496	7.9
57.03428	9.2
57.07068	29.6
61.02921	1.7
67.05498	23.3
69.03424	1.4
69.06735	1.5
69.07052	14.9
71.04983	2.5
78.94447	1.1
79.05484	7.4
81.03404	17.7
81.07044	29.1
83.04960	5.2
85.02895	5.0
85.06538	2.0
85.10172	78.0
90.08485	1.2
91.05462	41.6
93.07027	61.1
95.04951	11.1
95.08587	18.9
97.02849	1.8
97.06512	2.3
99.04404	1.6
103.05438	1.3
105.07018	17.4
107.08591	9.9
109.06494	5.1
109.10149	23.6
111.08057	1.1
113.09629	84.3
113.46336	1.1
119.08566	24.7
121.06478	3.0
121.10143	5.0
122.03600	1.8
123.08055	1.9
123.11677	5.3
127.88344	1.2
133.10118	26.4
135.04437	2.5
135.08125	1.5
135.11626	1.2
137.05962	50.4
137.09576	12.8
141.12726	2.5
147.11674	2.9
151.07538	1.7
151.11174	12.6
161.06010	1.7
163.07555	1.5
165.12718	24.4
169.08603	2.3
169.12250	7.9
177.09108	2.6
187.07487	1.8
187.13271	2.7
203.17918	19.5
221.18970	46.5
231.17653	1.6
234.63289	1.3
238.28925	1.3
249.18495	28.6
260.82205	1.2
267.19434	8.3
291.10391	1.5
323.22110	10.9
341.23178	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	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94385	0.1
55.05501	0.4
55.21785	0.1
56.05029	0.4
57.03424	0.2
58.06591	0.2
60.08150	8.1
64.52795	0.1
67.05486	0.9
69.07049	0.4
70.06583	0.1
71.07357	3.4
79.05475	0.2
81.07040	0.7
83.08609	0.2
86.09687	44.3
87.09988	0.1
91.05450	0.1
93.07014	0.2
95.08578	0.6
95.31585	0.1
98.98439	4.1
101.03953	0.1
104.10011	0.2
104.10718	4.1
124.99976	35.1
143.01027	0.4
167.61995	0.1
184.07301	100.0
185.07614	0.4
227.40675	0.1
269.63055	0.1
302.26767	0.1
337.27145	0.1
502.32870	1.0
520.33887	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	520.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05490	3.7
56.05025	7.6
57.03439	0.7
57.07052	0.6
58.99298	1.1
58.99575	19.8
59.25275	0.9
59.44843	0.7
61.01120	1.1
65.03940	0.8
65.61467	0.6
67.05489	21.4
68.05011	1.6
69.07051	5.0
70.02953	1.1
73.01109	1.9
74.00633	1.8
76.02208	48.1
76.03979	3.8
79.05048	1.0
79.05470	10.6
79.90897	0.9
80.04993	1.8
81.05772	1.0
81.07040	26.2
82.06546	1.3
83.04967	1.4
83.06076	4.3
83.08589	5.0
84.04488	19.8
85.01140	2.8
85.06515	1.7
86.00645	11.6
86.99036	10.0
87.02671	4.8
88.02176	6.2
91.05455	14.4
92.08705	2.1
93.07018	16.6
94.06538	3.0
95.04929	1.4
95.08591	6.6
97.01092	11.4
97.06503	1.9
99.02651	3.4
99.05538	1.1
100.02187	1.6
102.05526	4.4
105.07005	7.1
106.06530	1.1
107.04913	1.2
107.08581	11.6
108.08113	1.0
109.06534	2.6
109.10154	1.5
111.02621	9.7
111.08035	1.3
112.03980	1.0
113.00548	1.0
113.05981	0.8
114.03725	5.0
114.05508	1.4
116.01654	41.9
117.06983	4.2
119.08553	2.9
121.06459	0.8
121.10117	5.3
123.02637	2.0
123.11654	1.2
125.04241	1.4
125.09682	0.8
129.06596	4.9
130.04977	5.0
131.08524	8.3
133.10085	9.1
135.11681	6.5
137.04138	1.9
137.05928	1.4
142.03241	5.7
143.02734	3.7
144.01140	12.1
145.06088	0.9
145.10126	1.6
147.11652	3.1
149.09608	1.5
149.13249	10.0
151.11165	4.3
159.11642	9.3
162.02155	25.9
165.07260	1.0
170.02667	1.9
173.13188	0.9
177.12683	6.4
179.04800	15.0
181.06108	0.9
183.08282	1.5
183.11717	0.9
187.05304	3.0
189.03271	3.1
191.08850	1.5
194.15375	1.5
195.13840	6.9
196.31219	0.7
198.14923	0.9
204.13792	0.7
209.09802	1.0
212.16478	7.9
213.14922	1.6
215.04845	1.3
217.10339	1.1
218.15370	1.9
223.11374	1.2
224.16454	3.3
225.13092	0.9
226.12523	7.1
235.11476	3.7
236.16408	1.2
244.13608	1.8
245.05724	1.5
252.14027	15.2
253.12614	2.9
270.14798	21.1
271.13547	1.1
283.67725	0.9
288.16226	15.5
291.06357	0.9
298.14590	1.5
308.09000	1.5
312.12604	3.2
327.17242	1.5
330.04077	0.8
340.07773	1.0
355.16818	1.9
356.14929	1.0
373.17838	100.0
391.18762	8.1
427.18774	1.1
445.19785	5.1
502.22009	3.3
507.05792	0.9
520.23254	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	519.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05488	6.5
61.60360	1.5
67.05484	12.0
68.61320	1.5
69.07059	1.9
78.75381	1.5
79.05471	10.1
81.07026	11.6
83.08604	6.2
91.05500	4.8
93.07014	9.2
95.04955	2.5
95.08610	7.0
97.10156	8.5
99.51927	2.0
105.07031	7.0
106.05642	1.6
107.08603	2.6
132.42424	1.7
145.02849	9.8
177.05391	12.1
182.15640	1.5
189.11188	3.8
235.12958	2.4
251.12456	2.1
295.22723	3.6
296.22891	2.2
509.20630	1.9
519.21423	3.4
519.29193	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	519.2937
Annotation	Segetalin G
Peak:m/z	Relative Intensity
55.05500	3.1
57.03402	1.0
67.05483	5.0
69.07054	4.7
71.08167	0.7
79.05467	4.8
81.07040	8.4
83.04943	0.6
83.08605	3.3
86.09664	0.7
89.03922	7.3
91.05463	1.6
93.07011	5.0
95.04950	1.4
95.08583	4.7
97.06487	1.0
105.07008	1.4
107.08581	1.7
117.03365	28.2
117.04151	1.3
121.10134	0.9
124.52024	0.8
134.03653	3.1
135.04384	2.8
145.02831	73.5
149.05933	10.2
149.13309	1.1
177.05432	100.0
200.86662	0.7
223.27406	0.7
235.12999	2.5
251.12584	3.8
291.15707	4.6
302.76523	0.7
321.72116	0.8
519.29242	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
55.01866	5.2
55.05500	16.0
57.03425	6.4
57.07064	1.6
59.04992	2.2
61.02909	5.9
65.24335	1.2
67.05492	7.9
69.03419	34.2
69.07056	27.5
71.04983	11.0
71.14764	1.1
72.08134	1.3
73.02901	7.3
74.42178	1.1
76.02222	1.3
78.49946	1.0
79.05480	6.5
81.03401	34.7
81.07037	15.8
82.07412	1.0
83.04962	11.3
83.08604	4.4
84.67781	1.2
85.02894	81.6
85.06542	8.6
87.04449	1.2
91.05466	4.7
92.08664	2.3
93.07036	9.4
93.52431	1.2
95.04946	2.1
95.08592	22.5
97.02874	41.1
97.06541	8.3
97.10137	9.4
98.97573	1.2
99.04436	57.1
99.08072	14.1
103.03921	54.2
103.05435	1.3
105.07018	5.6
107.08601	14.9
109.02869	31.9
109.06492	1.4
109.10152	10.8
111.04414	1.4
111.08112	2.3
111.11713	5.1
113.09650	4.7
115.03979	1.8
119.04861	1.4
119.08567	2.3
121.10124	15.1
123.11678	2.9
125.09622	4.5
127.03894	100.0
131.04933	1.6
131.08516	1.2
135.11636	8.2
137.05933	11.9
137.13268	8.1
139.11166	2.8
145.04955	29.8
149.13191	1.9
150.46164	1.3
151.14790	2.0
153.12752	9.2
161.05943	1.3
163.06035	10.7
163.07399	2.2
175.07484	1.6
177.16356	20.2
187.05991	7.0
187.07483	2.1
189.09056	1.3
195.17401	22.8
197.01172	1.6
213.13695	1.3
213.18471	39.4
219.10088	1.4
271.08160	2.9
289.09106	2.3
292.22437	1.3
295.09546	1.1
307.10059	2.5
308.08337	1.4
321.20978	1.3
417.12436	1.5
459.13159	4.4
484.17709	1.2
519.16492	1.3
519.28149	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	519.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
53.21539	1.1
54.49604	1.1
55.01870	9.9
55.05505	30.8
57.03426	13.1
61.02913	2.7
62.30291	1.1
67.05495	34.6
69.03407	7.1
69.07053	29.2
71.04974	5.5
73.02878	1.5
79.05472	50.7
79.05901	2.3
80.52884	1.2
81.03402	12.5
81.07037	100.0
83.04984	6.8
83.08599	28.8
85.02898	2.8
91.05456	32.6
93.07023	42.6
93.07568	2.3
95.04955	13.5
95.08584	35.6
97.02872	7.8
97.06519	6.9
99.08099	2.2
105.07013	19.8
105.07685	1.8
107.04935	19.6
107.08575	17.9
109.06496	41.7
109.07188	2.4
109.10125	11.8
111.04422	1.4
111.08073	7.7
115.05418	1.6
116.60846	1.4
117.07001	16.1
119.08549	23.8
121.06480	10.6
121.10113	19.2
123.04422	1.9
123.08029	6.4
125.09592	1.6
129.06963	2.6
131.08540	17.1
133.06502	2.7
133.10130	6.6
135.08043	22.6
135.11682	5.6
137.05952	3.0
137.09583	16.9
139.11142	2.5
143.08563	1.5
144.90721	1.3
145.06500	2.1
145.10091	15.2
147.08029	7.1
147.11661	1.9
149.09583	26.5
151.11243	3.0
157.10056	1.9
159.07996	1.5
159.11679	5.2
161.14423	1.3
163.07507	1.9
163.11139	14.7
165.09047	3.2
169.08572	8.7
169.09933	1.2
173.09586	1.7
173.13293	2.1
174.60294	1.4
177.09070	3.2
179.10561	1.5
180.35973	1.6
185.11690	7.8
201.16330	7.0
219.17410	7.9
229.15802	2.8
247.16832	17.0
265.14288	1.7
265.17993	7.0
283.15436	1.7
321.20566	65.1
339.21594	81.0
339.25726	2.9
501.27094	3.2
518.37299	2.2
519.37701	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06612	0.3
72.08112	0.3
83.04951	0.4
98.97570	0.3
100.35520	0.3
101.43344	0.3
137.05966	0.7
140.83412	0.3
203.05260	0.6
214.62921	0.4
241.07268	0.5
259.08029	1.7
283.15045	0.4
357.18665	4.5
459.15430	0.4
459.21906	0.4
487.21262	1.6
519.24066	100.0
520.24481	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.8
53.03936	1.4
53.60245	0.6
55.01869	11.2
55.05508	52.2
57.03420	7.3
61.02905	1.2
64.50552	0.7
67.05492	18.4
69.03397	1.4
69.07057	25.7
71.04971	5.2
79.05476	32.7
81.03399	5.3
81.06593	1.6
81.07041	26.8
83.04964	9.5
83.08607	67.9
85.02881	6.0
91.05464	36.4
92.08701	1.0
93.07024	52.6
95.04950	12.2
95.08585	13.8
97.02925	1.0
97.06523	3.8
97.10143	1.0
99.04433	10.1
105.04526	1.2
105.07027	14.7
107.04949	10.6
107.08579	55.5
109.02861	1.0
109.06523	5.1
109.10123	7.4
111.04418	6.0
111.08062	10.6
115.05429	1.0
117.07001	22.9
119.08562	15.1
121.06483	4.6
121.10133	15.6
123.08076	1.7
125.09599	10.8
129.07014	1.1
131.08554	24.8
132.97978	0.7
133.06470	3.9
133.10101	9.4
135.08017	19.1
135.11713	3.4
137.05943	5.7
137.09581	7.4
139.11166	4.8
141.06982	1.3
143.07016	1.0
143.08525	0.9
145.06493	1.4
145.10110	11.2
147.04430	0.9
147.08086	1.7
147.11684	5.2
148.04811	0.8
149.09598	26.1
149.10707	1.2
149.13266	1.1
153.09099	4.8
157.10106	1.5
159.08089	0.9
159.11659	6.6
161.09543	0.9
163.11082	7.2
165.09024	1.5
167.10635	1.9
169.08539	1.0
169.10136	1.3
173.13240	3.9
175.07430	0.8
177.09180	6.3
179.10640	1.3
181.08571	1.4
185.13251	1.7
187.14764	1.0
201.16347	15.2
211.14821	1.3
219.17404	32.4
229.15875	4.9
232.06337	1.0
247.16898	17.5
255.12410	0.9
257.38773	0.9
265.17822	7.9
311.74612	0.9
321.20569	8.4
339.21600	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	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10845	0.1
55.05499	0.2
56.05022	0.4
57.03429	0.1
58.06612	0.4
60.08150	8.6
67.05488	1.1
67.17283	0.1
69.07037	0.2
70.15603	0.1
71.07355	3.7
79.05476	0.5
81.07040	0.7
86.09686	48.3
91.05463	0.1
93.07018	0.5
95.08575	0.5
97.06448	0.1
97.67245	0.1
98.98442	4.2
104.10714	3.4
107.08552	0.1
109.10126	0.2
116.99478	0.1
124.99976	36.0
143.01042	0.4
163.01408	0.1
184.07301	100.0
185.07602	0.1
335.25620	0.1
500.31317	1.0
516.50671	0.1
518.32294	3.9
524.84991	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45525	0.3
55.05500	1.3
56.05022	1.4
57.03416	1.1
57.07079	0.3
58.06586	1.1
60.08152	20.8
60.08463	0.7
64.68121	0.3
65.03923	0.4
67.05496	3.6
68.11383	0.3
69.07054	1.5
71.07362	8.0
79.05470	2.8
81.07034	3.2
86.09691	73.1
91.05453	1.5
93.07022	2.4
95.08596	2.7
98.98445	5.6
104.10727	92.2
105.07001	0.5
107.08578	0.7
112.41482	0.3
112.42403	0.4
121.10147	0.4
124.99982	44.1
127.08083	0.3
131.08528	0.4
162.01042	0.3
163.01553	0.6
184.07310	100.0
209.59943	0.3
226.90906	0.3
258.10922	0.6
335.25793	0.6
500.31250	5.6
518.32343	27.5
532.45032	0.3
541.18005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.5
53.03918	2.1
55.01852	3.8
57.03410	1.8
61.02905	4.8
61.12183	0.8
65.03909	0.9
67.05495	0.7
69.03414	70.3
70.06564	1.4
71.04960	0.9
72.08121	1.4
73.02881	1.2
76.63369	0.8
81.03392	4.4
83.01286	1.1
84.04477	1.2
85.02889	36.2
87.04456	1.5
91.05389	1.0
92.73444	0.8
93.03379	1.5
95.01292	1.6
97.02871	11.0
99.04397	1.2
103.05450	1.4
105.07058	6.6
106.23631	0.9
107.04930	2.0
109.02869	2.0
110.03631	1.8
111.04436	7.4
115.03905	2.0
119.04905	1.2
122.03603	3.8
125.05964	21.5
127.03883	5.7
131.04906	7.5
133.06471	9.3
137.05954	100.0
145.04922	4.2
145.06488	0.9
147.04372	4.7
149.05949	4.7
150.06754	1.5
151.03879	4.5
155.08501	0.9
157.06349	1.0
159.04358	1.4
161.05949	1.7
163.07516	1.9
164.08295	22.1
165.09070	5.3
169.04948	1.7
171.04411	1.4
171.07991	1.2
174.06750	1.4
175.07532	5.5
180.08620	3.6
181.06351	1.2
181.08542	3.3
187.07436	1.4
189.05356	1.3
191.06989	4.6
197.06020	1.0
198.06706	1.3
201.09105	1.6
203.06995	4.6
205.08527	1.6
213.09120	3.2
214.06201	1.6
215.05353	3.3
215.07149	1.3
215.10544	0.9
217.08675	1.4
229.08467	7.3
233.07988	1.2
241.08424	1.1
259.09735	3.5
339.10690	85.9
513.82196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42709	2.2
53.72894	2.5
55.01872	4.6
55.05503	24.6
57.03433	4.2
64.33302	3.8
65.03922	4.3
66.83534	2.7
67.05495	80.1
69.07058	25.0
79.05486	57.9
81.03387	31.2
81.07040	59.8
85.02889	12.6
91.05463	97.9
93.07030	70.1
95.04946	14.4
95.08595	65.7
97.06535	5.2
105.07016	31.7
107.08575	28.7
109.10139	21.1
117.07000	18.0
119.08559	81.5
121.06470	5.2
121.10126	25.1
123.11654	3.7
129.07024	5.0
131.08548	18.9
133.10127	18.8
135.11707	5.4
137.09593	33.8
143.06993	3.4
143.08481	6.0
145.10141	17.8
147.11711	13.5
159.11691	15.1
161.13332	4.0
165.09116	16.7
171.11646	5.2
173.13228	5.7
183.10159	3.3
185.13155	3.9
264.88217	3.4
301.25031	5.1
335.25974	6.8
379.42651	3.5
395.66541	3.5
407.29254	3.9
425.29877	3.2
499.34085	15.8
517.35114	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	517.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
53.86915	0.7
55.01858	0.6
55.05494	3.8
57.01303	0.7
57.03428	1.6
57.07067	0.9
59.04987	0.9
61.02919	3.5
67.05495	3.8
69.03415	6.5
69.07043	7.5
70.06583	0.8
71.04970	6.7
72.08138	0.8
73.02901	1.4
74.66989	0.7
79.05485	6.4
81.03406	9.5
81.07045	16.6
83.04938	0.9
83.08588	1.0
85.02892	33.4
87.04469	1.2
91.05457	7.4
92.09351	1.5
93.07034	9.6
95.04974	1.6
95.08587	18.5
97.02885	11.3
97.06499	3.4
98.97562	1.0
99.04444	22.2
99.08059	3.4
103.03928	33.8
105.07021	18.7
107.08584	16.3
108.06245	0.7
109.02863	9.0
109.06472	1.5
109.10145	1.7
113.09640	1.2
117.06979	0.9
119.04884	0.9
119.08562	53.0
121.06478	0.8
121.10126	4.2
123.08025	3.5
123.11657	3.2
127.03901	39.0
131.04878	0.7
131.08514	1.6
133.10109	71.0
135.07991	1.6
135.11670	11.8
137.05962	8.7
137.09596	1.3
141.50592	0.7
145.04938	14.6
145.10121	1.6
146.10838	0.9
147.04413	1.1
147.11656	6.2
159.11699	0.8
160.12407	0.7
163.03889	0.9
163.06007	11.9
163.11160	1.1
173.13313	0.8
175.14795	100.0
191.14262	1.6
193.15842	5.0
205.06972	0.8
211.16840	1.6
227.62073	0.8
307.10245	3.5
337.20230	1.0
517.22839	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32544	0.5
53.03946	2.7
55.01872	6.7
55.05500	5.1
57.03428	6.1
61.02917	3.1
63.30533	0.6
65.03928	0.9
67.05499	9.7
69.03414	1.1
69.07054	4.2
71.04971	1.1
72.36697	0.5
73.02913	1.0
79.05477	31.5
81.03394	2.5
81.07043	100.0
83.04972	5.1
83.08633	0.9
85.02899	12.9
91.04902	0.8
91.05463	19.3
93.07035	27.3
95.04956	8.0
95.08578	8.7
97.02872	1.1
97.06532	3.9
99.04436	1.1
100.11219	0.8
105.07016	13.8
107.04961	2.9
107.08585	13.6
109.06508	64.6
109.10155	2.9
111.04432	3.2
117.07004	7.5
119.08566	12.4
119.72915	0.7
121.06478	7.4
121.10160	1.4
123.08030	6.5
125.09618	11.7
127.03860	1.0
129.05469	1.0
129.06963	6.2
131.04887	0.7
131.08551	7.4
133.06474	1.3
133.10121	7.1
135.08026	5.2
135.11591	0.8
137.05986	3.4
137.09608	5.7
143.08546	4.9
145.10104	4.3
147.08032	4.1
149.09619	5.7
151.07533	0.9
153.09076	8.7
157.10144	8.8
159.11664	2.4
161.09558	5.1
161.13309	0.8
163.07512	1.3
165.09129	6.9
171.11623	1.1
173.13257	5.1
175.11258	2.6
175.14903	0.8
181.08560	3.7
183.10124	3.1
185.09583	0.7
189.16257	0.7
197.67877	0.6
199.14815	9.6
201.16385	2.7
217.15831	16.0
219.84010	0.6
227.14342	1.3
231.85486	0.7
245.15265	8.4
263.16486	6.6
319.18942	7.7
337.20032	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	516.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40717	1.3
55.01866	20.4
55.05492	1.4
56.05033	2.3
57.49685	1.7
58.68771	1.4
65.07335	1.3
67.05485	6.0
68.05003	3.7
69.07072	2.8
70.06574	2.1
71.04986	17.6
71.08612	8.4
77.19675	1.4
79.05485	2.4
80.05005	3.5
81.07050	6.2
82.06567	2.3
86.06100	1.5
89.06020	2.6
91.05479	3.4
91.83080	1.5
93.07034	3.3
94.06567	1.8
95.08586	3.2
96.08113	1.9
98.09666	8.0
99.08066	3.6
106.06528	2.4
107.08549	2.6
108.08107	18.6
110.01468	1.4
119.08582	1.7
120.08057	2.7
121.06452	2.2
121.08872	1.8
121.10111	1.8
122.06008	61.5
131.08482	1.4
136.07552	29.4
140.07059	6.2
158.61104	1.6
178.15878	100.0
196.16946	3.6
206.15375	15.9
224.16414	42.5
275.19986	2.2
350.45950	1.8
389.01846	1.6
419.11151	1.6
498.35718	77.8
499.35913	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17753	4.7
51.51178	4.6
55.01858	27.3
55.05496	39.9
56.43961	4.9
57.03420	5.8
57.07067	25.3
61.75253	5.3
67.05500	50.1
69.07050	38.0
76.02168	5.4
79.05462	42.8
81.03394	25.7
81.07050	62.7
83.04943	7.9
83.08599	30.1
84.04488	93.8
85.10171	14.3
86.24173	5.7
91.05466	68.1
93.07034	63.9
95.04945	13.7
95.08597	73.9
97.06504	13.4
105.07027	46.6
106.59903	6.1
107.04894	5.9
107.08574	13.6
109.06514	12.1
109.10133	31.6
111.04414	6.0
111.08062	36.0
113.09614	30.9
119.08562	56.3
121.10107	42.3
122.02721	8.0
123.11665	9.8
125.10867	5.8
129.06909	6.0
130.04942	7.7
131.08557	12.2
133.10095	51.6
135.11656	8.5
137.05974	10.9
137.09589	52.9
145.10205	7.6
147.11691	26.4
151.11169	26.8
158.11079	6.2
161.13196	6.5
165.12776	47.8
173.02686	5.8
175.11217	7.3
203.18008	11.7
221.18991	73.4
231.17345	6.9
249.18427	72.6
267.19531	63.1
278.57993	6.9
325.18579	6.6
370.20218	41.4
388.21384	100.0
494.62564	7.6
499.24286	8.4
517.25671	90.4
521.24750	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	516.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
53.17447	1.3
55.01857	6.7
55.05506	50.2
57.03429	24.5
57.07059	1.7
59.04979	7.9
61.02907	8.4
67.05149	3.6
67.05494	100.0
69.03408	8.6
69.07047	14.1
70.06557	2.5
71.04980	8.4
72.08134	12.1
73.02885	1.7
79.05463	26.5
81.03403	8.1
81.06600	2.1
81.07041	36.5
83.04958	7.8
83.08620	23.8
85.02880	22.2
85.06531	4.0
86.06016	2.0
86.09669	2.6
87.04425	9.0
91.03954	1.9
91.05468	19.9
91.87621	2.0
93.07001	15.4
95.04930	3.1
95.08585	13.1
97.02844	11.5
97.06516	2.6
97.10147	29.6
100.11237	8.7
103.03906	6.3
105.07010	7.0
107.04875	1.8
107.08585	12.8
109.09399	3.4
109.10146	96.4
111.04415	14.5
111.08086	2.7
117.06964	3.1
119.08558	9.6
121.10106	7.0
123.04383	1.6
123.08034	1.9
125.09614	20.8
127.03873	2.8
131.04906	2.4
131.08543	2.4
133.06439	2.3
133.10100	2.8
135.07999	2.3
135.11636	3.5
137.05942	9.2
137.09474	2.0
138.06206	2.0
138.09126	2.4
145.10085	6.9
147.04401	6.7
149.09604	2.5
155.07059	1.8
155.10664	7.9
163.11136	7.1
173.11678	41.4
173.12859	3.1
184.07338	1.7
193.08534	2.2
204.10304	2.8
209.11707	29.1
215.59532	1.8
227.12724	4.0
229.14322	76.0
283.15289	16.9
301.16568	12.0
319.17462	9.7
402.93814	1.7
404.74005	2.1
406.17487	2.1
412.39130	2.1
463.21594	8.0
481.22617	2.6
515.37640	4.1
516.20074	2.4
516.37726	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	516.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01863	4.3
55.05505	21.6
56.96556	5.9
57.03429	15.0
57.07045	1.0
61.02914	6.2
63.95499	1.0
65.71918	0.9
67.05492	30.3
69.03418	5.9
69.07047	11.6
70.06577	4.4
71.01348	0.9
71.04976	4.5
72.08137	20.9
73.02894	1.9
74.64479	1.1
79.05473	30.1
81.03413	8.6
81.07043	30.9
81.22117	0.9
83.04969	12.9
83.08609	11.1
84.04493	4.1
84.08154	1.1
84.95998	1.3
85.02887	13.7
85.06539	2.6
86.09697	18.2
87.04456	1.0
91.03941	1.7
91.05458	19.9
93.07023	33.8
94.90781	0.9
95.04955	11.8
95.08587	13.5
97.02859	21.0
97.06499	7.9
97.10133	3.6
98.97563	16.9
99.04442	5.2
101.02361	1.1
102.05508	1.8
103.03923	2.4
103.05411	1.4
105.07015	7.8
107.04935	10.1
107.08580	19.8
109.02877	1.0
109.06513	2.1
109.10155	10.4
110.07182	1.0
110.97557	4.8
111.04432	35.2
111.08074	2.3
111.11708	2.1
116.98604	10.3
117.06977	7.6
119.04948	1.2
119.08533	9.3
121.06498	4.4
121.10120	24.4
123.04379	1.3
123.08063	2.1
123.11689	4.3
125.05977	2.2
125.09634	1.2
127.03920	2.5
128.98581	5.8
129.06969	2.1
131.00217	1.1
131.08533	9.5
133.10133	5.9
134.99695	4.4
135.08018	2.1
135.11664	12.1
137.05937	12.9
137.09604	1.5
138.06322	1.2
139.07484	1.1
139.11108	8.6
141.06558	2.4
143.00128	1.6
145.06511	1.2
145.10085	13.3
146.99644	5.3
147.04498	1.5
147.07971	1.8
148.00174	1.0
149.09625	8.0
151.03853	1.4
151.11140	1.2
155.08614	1.2
157.12238	1.9
158.99628	4.2
159.07671	1.3
161.01180	2.6
163.11125	14.6
165.09013	1.2
167.10582	2.2
170.99658	1.4
171.99962	1.6
173.01247	1.2
173.09538	8.7
173.11722	1.7
177.00728	7.2
181.12231	4.1
183.11363	1.7
185.16507	6.5
187.07190	2.3
191.10669	10.4
207.03255	4.3
208.03680	2.1
209.11696	100.0
213.15955	2.0
219.01666	6.7
220.02173	1.7
227.12709	16.6
229.11771	1.6
229.14334	1.0
237.02768	16.4
238.03111	5.5
241.14291	4.8
244.52583	1.4
255.15894	1.7
265.14404	2.1
283.15350	69.1
301.16418	28.3
302.84924	1.1
304.15021	1.7
308.14716	1.1
309.06549	1.3
310.06702	2.1
313.06366	1.2
319.17493	1.8
327.07431	9.2
328.07806	12.4
396.10144	1.2
399.22379	4.1
456.12518	7.5
462.02899	1.1
463.21664	6.2
474.13821	1.9
516.29761	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
53.17447	1.3
55.01857	6.7
55.05506	50.2
57.03429	24.5
57.07059	1.7
59.04979	7.9
61.02907	8.4
67.05149	3.6
67.05494	100.0
69.03408	8.6
69.07047	14.1
70.06557	2.5
71.04980	8.4
72.08134	12.1
73.02885	1.7
79.05463	26.5
81.03403	8.1
81.06600	2.1
81.07041	36.5
83.04958	7.8
83.08620	23.8
85.02880	22.2
85.06531	4.0
86.06016	2.0
86.09669	2.6
87.04425	9.0
91.03954	1.9
91.05468	19.9
91.87621	2.0
93.07001	15.4
95.04930	3.1
95.08585	13.1
97.02844	11.5
97.06516	2.6
97.10147	29.6
100.11237	8.7
103.03906	6.3
105.07010	7.0
107.04875	1.8
107.08585	12.8
109.09399	3.4
109.10146	96.4
111.04415	14.5
111.08086	2.7
117.06964	3.1
119.08558	9.6
121.10106	7.0
123.04383	1.6
123.08034	1.9
125.09614	20.8
127.03873	2.8
131.04906	2.4
131.08543	2.4
133.06439	2.3
133.10100	2.8
135.07999	2.3
135.11636	3.5
137.05942	9.2
137.09474	2.0
138.06206	2.0
138.09126	2.4
145.10085	6.9
147.04401	6.7
149.09604	2.5
155.07059	1.8
155.10664	7.9
163.11136	7.1
173.11678	41.4
173.12859	3.1
184.07338	1.7
193.08534	2.2
204.10304	2.8
209.11707	29.1
215.59532	1.8
227.12724	4.0
229.14322	76.0
283.15289	16.9
301.16568	12.0
319.17462	9.7
402.93814	1.7
404.74005	2.1
406.17487	2.1
412.39130	2.1
463.21594	8.0
481.22617	2.6
515.37640	4.1
516.20074	2.4
516.37726	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	516.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	0.2
56.48454	0.2
67.05484	0.4
69.03409	0.4
69.66996	0.1
72.08118	0.3
72.63050	0.2
79.05470	0.7
81.03399	0.7
81.07056	0.6
85.02879	0.4
86.09695	0.3
91.05459	1.6
93.07050	0.2
94.04179	1.9
95.04942	0.4
97.06494	0.3
105.06998	0.9
107.04944	1.0
109.02898	0.2
109.06531	0.8
111.04434	0.3
115.05470	0.2
119.04922	0.9
121.06448	0.7
122.03628	6.4
123.04365	0.3
131.04903	0.9
133.06454	0.4
135.04346	0.4
135.08060	0.2
137.05956	100.0
138.06314	0.2
145.10144	0.2
146.03664	0.2
147.04382	1.0
149.06000	1.4
151.03813	1.4
151.07513	1.3
153.06952	0.5
161.05959	3.0
165.06953	2.2
165.67828	0.2
166.07697	0.4
167.08559	0.4
173.57178	0.2
175.07570	0.2
177.05461	0.2
177.06943	0.4
179.06998	0.4
179.08516	1.2
181.06454	1.1
182.07283	0.9
187.07613	0.3
193.06473	1.6
194.07242	3.1
195.08012	0.8
196.08812	0.2
197.09601	0.3
199.07506	0.2
205.06371	1.6
206.07236	0.4
207.08041	1.1
209.06067	0.2
209.09589	0.3
210.06737	1.7
211.07567	1.0
213.09085	0.4
219.08032	0.3
221.05931	3.6
222.06741	3.0
223.07491	0.7
224.08273	1.2
225.09070	2.8
227.07001	0.4
233.06012	0.5
234.06779	0.4
235.07498	1.0
236.08325	0.3
237.09100	3.0
238.06216	0.4
239.06920	0.4
239.10651	0.3
241.08504	0.3
247.07529	0.2
249.09140	0.9
251.06892	0.8
252.07803	0.4
253.08487	2.1
254.09319	0.3
255.06482	0.8
259.09625	1.2
265.08517	8.2
266.09189	0.3
267.09976	2.3
270.08783	0.7
271.09705	1.1
272.10504	0.2
273.11111	0.4
277.08533	1.5
282.08932	0.3
283.09708	0.9
285.11185	10.0
289.08533	0.3
295.09708	0.3
297.08167	0.3
297.11182	7.0
301.14291	0.3
309.11224	1.2
315.12341	0.9
319.15018	0.2
327.12323	0.7
329.11581	0.2
361.14157	0.4
373.13998	0.3
401.13693	0.8
413.02557	0.2
421.16406	6.1
433.16324	6.4
445.16434	0.3
451.17419	1.4
475.92850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.05505	20.7
57.03431	9.3
57.07065	6.4
61.02917	4.3
65.03930	1.6
65.25950	1.0
66.45145	0.9
66.59910	0.8
67.05495	100.0
69.03411	4.5
69.07056	19.4
71.04964	1.8
71.08636	1.4
73.02901	1.1
75.04398	0.9
79.05476	62.1
81.03412	1.8
81.07040	93.7
83.08618	8.3
85.02885	7.2
85.06528	1.9
91.03954	1.2
91.05461	34.5
93.07022	77.4
95.04953	8.0
95.08585	70.5
97.02888	2.1
97.06538	3.9
97.10157	4.2
105.07018	28.0
105.07645	1.1
107.08579	44.5
109.06528	4.4
109.10136	33.6
109.10843	1.2
111.08038	1.2
113.09652	1.3
117.06996	13.6
119.08556	20.2
121.10130	35.7
123.08044	1.5
123.11691	12.0
125.09619	1.4
129.06961	2.0
130.07695	1.0
131.08553	24.3
133.10112	15.9
135.11671	25.5
137.13240	4.0
141.70192	1.1
145.10088	16.2
147.11673	12.4
149.13232	17.0
153.12563	1.4
159.11662	12.8
161.12103	1.2
161.13187	9.3
163.14725	8.0
165.12711	1.2
169.69730	1.0
173.13225	11.4
175.14786	1.7
177.16295	1.9
179.14381	1.2
187.14755	8.2
191.14159	1.1
193.12227	0.9
201.16388	1.4
233.22655	2.2
243.21048	19.2
261.22098	51.9
279.23206	2.1
335.25723	18.0
353.26755	14.4
369.24197	1.3
381.89362	1.0
419.27548	1.1
461.28989	1.4
497.30881	6.3
497.67267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01861	2.1
55.05505	22.0
56.41586	1.1
57.03423	9.0
57.07058	5.0
61.02940	4.5
62.32814	1.0
64.33700	1.3
65.03921	1.7
67.05492	93.4
67.05855	3.1
69.03399	5.7
69.07054	17.2
71.04979	2.9
71.08613	1.6
73.02891	1.4
76.27612	1.2
79.05473	69.1
81.03394	2.4
81.07037	100.0
83.04957	2.8
83.08604	7.2
85.02888	5.5
85.06534	2.0
91.05463	36.3
93.07027	92.2
95.04954	7.8
95.08585	75.5
97.06516	4.9
97.10160	3.3
99.08073	1.8
105.07018	30.1
107.04934	2.0
107.08587	49.5
109.02833	1.4
109.06522	3.0
109.10145	35.5
117.06979	12.5
119.08572	27.9
121.10133	39.4
123.06898	1.4
123.08079	2.0
123.11695	11.9
125.09661	1.3
129.06989	3.1
131.08542	29.8
133.10112	18.9
135.11679	30.4
137.13310	2.3
143.08452	1.3
145.10115	23.6
147.11639	10.9
149.13223	18.4
157.10161	1.5
159.11659	15.5
161.13309	10.0
163.14812	9.9
165.12694	1.4
169.68517	1.7
170.73024	1.6
173.13239	16.6
175.14821	2.4
177.16328	5.0
187.14769	7.0
191.14230	1.4
201.16408	2.3
233.22594	1.6
243.20978	17.9
261.22061	47.7
335.25729	8.7
345.24310	1.6
353.26688	12.8
369.24182	1.4
432.58810	1.5
497.30811	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
53.39802	0.9
55.01871	1.4
55.05502	21.3
55.19684	1.2
57.03427	11.4
57.07063	4.5
61.02913	5.7
65.03911	1.4
65.61226	0.9
67.05489	91.8
69.03418	2.4
69.07052	20.5
71.04926	1.4
71.08250	1.0
71.08646	1.2
73.02908	2.0
79.05471	60.3
81.03411	5.2
81.07034	100.0
83.04980	4.4
83.08608	9.0
84.79877	1.0
85.02902	6.5
85.06526	2.2
91.03916	1.9
91.05452	36.0
93.07022	73.8
93.43324	1.3
95.04947	8.7
95.08585	71.2
97.02885	1.9
97.06520	4.5
97.10172	1.7
99.08080	1.4
105.07013	28.8
107.04948	1.7
107.08570	43.8
109.06519	2.1
109.10123	31.4
111.08060	2.9
117.07003	13.8
119.08541	23.7
120.11529	1.4
121.10118	32.4
123.08047	1.7
123.11654	10.8
128.44125	1.2
129.06989	1.3
131.08545	24.9
132.05629	1.2
133.10081	14.0
135.11659	24.3
137.09576	1.6
137.13263	2.8
145.10080	17.4
147.11684	8.0
149.13216	14.2
159.11671	16.3
161.13283	9.5
163.14813	6.6
165.12679	1.7
173.13222	10.1
175.14803	1.6
177.16383	1.8
187.14774	5.1
191.14302	1.4
219.17412	1.3
243.20956	15.0
261.22079	43.1
270.17899	1.8
275.94168	1.3
279.23108	2.1
317.24765	1.5
335.25677	14.4
353.26697	10.2
378.40100	1.3
461.28955	2.7
479.29892	2.0
480.30338	1.6
497.30905	6.0
515.26166	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	515.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
53.77861	0.3
55.05507	3.5
57.03429	0.7
57.07058	0.7
58.76282	0.3
61.02899	0.4
67.05502	3.0
69.03415	10.7
69.07052	3.2
71.04978	1.5
73.02878	0.4
79.05475	8.1
81.03407	4.7
81.07037	11.4
83.04954	2.6
83.08619	0.4
83.57529	0.3
85.01203	0.4
85.02889	13.3
91.05465	5.7
93.07029	4.7
95.04944	2.4
95.08603	2.6
97.02882	5.4
97.06499	1.3
99.04439	9.4
103.03373	0.4
103.03921	17.5
105.07024	8.1
107.04935	6.4
107.08578	27.9
108.09294	0.5
109.02863	5.1
109.06514	5.2
109.10139	6.3
111.08018	0.5
115.05431	1.6
117.06990	2.0
119.04919	0.4
119.08568	5.0
121.06485	2.9
121.10119	15.9
122.07263	5.7
123.08059	3.0
123.11687	0.4
127.03893	17.9
131.08554	3.5
133.10109	100.0
135.04456	0.4
135.08043	11.4
135.11671	1.5
137.05986	1.4
137.09596	64.3
143.08583	0.9
145.04947	7.1
145.10101	1.4
147.11662	3.3
149.09610	3.2
149.13223	9.9
151.11154	1.9
158.10890	2.1
163.05994	5.2
163.14803	2.3
165.12723	5.2
173.13232	5.2
181.08624	0.4
187.06052	0.4
191.14278	55.2
205.07062	0.7
209.15338	14.2
225.06506	0.6
242.17781	0.4
271.07831	0.7
289.09128	0.7
295.06873	0.6
307.10083	0.8
335.18448	0.6
372.11655	1.7
400.11334	1.7
463.31250	0.5
472.31760	2.1
472.81656	1.4
473.31717	0.5
515.19690	0.8
529.54871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
62.26693	0.5
67.05495	0.8
75.44841	0.5
81.07043	1.1
86.80656	0.5
91.05433	1.0
93.06994	0.8
130.49330	0.5
133.76711	0.6
136.44601	0.5
263.66348	0.7
294.12302	0.6
515.29712	100.0
516.30518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
53.40955	0.8
55.01863	1.5
55.05503	21.7
57.03427	8.2
57.07053	5.2
60.12535	0.9
61.02908	4.0
62.93153	0.8
65.03923	3.7
67.05492	92.3
69.03409	4.5
69.07050	18.8
71.04957	1.9
75.04474	1.1
79.05474	58.6
81.03387	3.6
81.07038	100.0
83.04964	2.2
83.08609	9.8
84.00407	0.9
85.02895	4.3
85.06523	2.1
91.05452	41.5
92.09413	2.1
93.07024	80.4
95.04955	8.3
95.08584	73.5
96.08920	1.1
97.02847	3.7
97.06516	5.1
97.10151	4.1
99.08075	2.2
99.13617	0.9
103.54016	0.9
105.07014	32.1
107.04988	1.0
107.08576	48.9
109.06490	4.1
109.10146	31.7
111.08047	1.7
117.06976	16.1
119.08556	24.2
121.10122	40.3
123.08042	2.1
123.11678	13.1
125.09598	1.8
129.07004	4.4
131.08548	28.0
133.06429	1.1
133.10103	16.6
135.08025	1.5
135.11678	27.7
137.09550	2.0
137.13234	4.2
143.08543	2.2
145.10092	18.3
147.11679	16.1
149.09605	1.2
149.13225	20.7
157.10133	4.0
159.11649	14.9
161.13248	10.0
163.11116	1.2
163.14784	11.4
169.10112	1.4
171.11624	1.9
173.13199	14.8
175.14777	4.1
177.16302	4.0
179.14316	1.4
180.49147	1.1
185.13243	1.2
187.14781	7.2
199.14732	1.2
201.16328	1.6
233.22575	1.8
237.69727	1.0
243.21057	19.7
261.22073	59.4
263.23569	1.4
275.20145	1.2
281.51599	1.0
300.01108	1.0
303.23157	1.2
335.25742	7.1
345.24118	1.6
353.26758	13.7
369.53644	1.0
419.27893	1.4
461.29120	1.2
479.30493	1.5
497.30832	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	515.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.05507	2.6
57.03424	0.4
57.07089	0.6
61.02921	0.4
65.03923	0.4
65.46772	0.3
67.05495	2.9
69.03417	10.3
69.07050	2.6
69.26391	0.3
71.05002	1.4
72.98768	0.4
73.02928	0.4
79.05472	9.7
79.05893	0.4
81.03417	2.9
81.06552	0.4
81.07037	12.7
83.04979	4.4
83.08598	0.5
85.02891	12.8
85.06576	0.4
91.05470	5.4
91.26247	0.4
93.07025	5.2
93.53148	0.3
95.04939	1.4
95.08601	2.7
97.02890	5.8
97.06512	0.5
99.04434	10.1
103.03923	17.5
105.07018	7.6
107.04952	8.3
107.08581	30.8
109.02869	5.4
109.06522	4.3
109.10152	7.1
110.28422	0.3
111.08051	0.5
115.05466	1.5
117.07018	2.5
119.06048	0.4
119.08557	3.7
121.06490	3.7
121.10126	13.1
122.07265	5.4
123.08064	1.4
127.03889	16.3
131.08577	3.4
133.10110	100.0
135.08026	12.4
135.11649	0.8
137.05934	0.8
137.09596	68.0
141.94275	0.4
143.08591	0.7
145.04922	7.9
145.10065	0.8
147.11687	2.6
149.09569	0.7
149.13252	10.5
152.26656	0.3
158.10881	0.6
163.06015	6.2
163.14763	1.5
173.13242	6.4
187.05899	0.6
191.14279	65.1
192.14432	0.4
192.23987	0.4
204.94450	0.4
205.07028	0.6
209.15315	3.2
241.88887	0.4
271.07959	1.4
289.09015	0.6
307.10040	1.7
335.18329	0.5
425.07205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01869	6.3
55.05493	2.1
57.03411	0.6
57.07057	0.5
64.10835	0.3
64.33380	0.4
67.05479	1.6
69.03406	1.7
69.07055	21.2
70.06565	0.4
71.04978	0.6
79.05451	2.5
79.13263	0.4
80.52660	0.3
81.03394	1.6
81.07059	3.2
83.04958	2.7
83.08610	0.4
85.02898	4.4
91.05460	5.8
93.07024	21.0
93.16843	0.4
95.04939	2.1
95.08578	3.9
97.02882	1.0
97.06480	3.2
99.04433	2.9
103.03923	6.9
105.07003	5.6
107.08577	16.3
109.02866	0.8
109.06486	2.0
109.10136	0.9
111.08098	0.5
117.07000	2.2
119.04916	0.6
119.05843	0.4
119.08587	5.1
121.06482	21.9
121.10126	13.8
123.08045	4.0
127.03904	6.0
129.24812	0.4
131.08540	5.8
133.10115	10.2
135.08026	7.9
135.11668	4.3
137.05995	0.7
137.09601	2.6
143.08516	0.6
145.04941	2.4
145.10103	4.5
147.11668	44.5
148.12090	0.6
149.09615	4.7
149.13240	16.2
158.10863	1.9
161.09586	8.5
163.05968	2.2
163.11177	0.9
163.14781	2.5
173.13219	9.2
176.11946	3.6
190.88414	0.4
191.14281	100.0
202.02989	0.4
218.95509	0.4
307.10187	0.5
367.76758	0.4
386.01706	0.4
496.76541	0.5
518.11255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.5
53.03937	3.7
54.71373	0.6
55.01860	1.5
55.05499	4.1
57.03425	3.9
57.07076	0.7
61.02907	2.2
65.03934	0.9
67.05490	3.8
69.03417	12.6
69.07056	3.0
70.06557	0.9
70.32629	0.5
71.04971	7.8
72.08133	5.9
73.02911	1.2
75.05551	0.7
79.05462	4.3
79.69910	0.5
81.03399	16.7
81.07045	3.6
82.40430	0.6
83.04964	3.3
83.08592	1.5
84.04498	0.6
84.08118	1.0
85.02890	28.8
86.09678	5.7
91.05457	5.0
93.06994	5.4
95.04947	100.0
95.08598	3.3
96.88763	0.7
97.02865	16.6
97.06519	3.1
97.10145	0.8
99.04433	40.4
101.45577	0.6
103.03925	23.5
105.07016	3.0
107.04946	2.4
107.08574	13.3
109.02859	12.5
109.06514	3.4
109.10154	5.6
111.08101	0.9
112.21880	0.7
116.04732	1.2
119.08539	2.4
121.06490	1.4
121.10110	4.6
123.04377	0.7
123.08115	1.2
127.03888	37.1
129.05461	3.2
129.10210	4.3
131.08562	2.9
133.10117	9.6
135.04366	0.8
135.08047	4.1
135.11732	1.5
137.05972	9.2
137.09596	3.7
143.11758	4.8
145.04961	10.3
145.10146	0.8
147.04434	0.9
147.08003	0.7
147.11674	2.6
149.06055	4.8
149.09618	1.5
149.13249	1.4
151.03889	3.7
151.07550	1.0
151.11157	1.0
153.09077	23.9
157.08563	1.0
163.06012	4.3
167.07011	0.8
171.11311	1.1
173.09557	0.7
173.13261	3.9
177.05444	1.5
187.06032	0.9
191.14288	14.4
193.12248	3.7
209.15337	44.8
228.13399	1.0
242.18988	0.9
271.09802	2.3
285.17017	1.2
286.17392	1.3
293.93954	0.6
312.16034	0.7
317.15991	5.1
318.16269	3.2
327.19772	0.9
338.01245	0.7
366.45026	0.7
408.18954	0.6
437.29031	0.8
459.96008	0.8
468.25345	0.7
493.83081	0.8
515.20789	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10210	3.4
52.52801	3.3
54.81202	3.3
55.01863	19.4
55.05502	19.2
59.05024	3.7
67.05498	40.6
69.07043	18.6
71.04989	3.9
76.02174	3.6
77.98076	3.4
79.05476	32.8
81.03414	6.4
81.07034	100.0
83.04951	6.6
83.08596	19.0
84.04494	51.8
85.01112	4.2
85.02920	4.8
88.03959	3.9
91.05450	44.5
93.07015	43.6
95.04967	21.5
95.08566	37.7
97.06537	4.5
99.57871	3.1
102.72343	3.2
105.07033	35.3
107.04939	32.0
107.08583	23.9
109.06468	33.9
109.10136	20.5
117.07023	16.6
119.08564	29.6
121.06501	5.9
121.10126	22.1
122.00181	3.6
123.08051	4.6
130.04991	5.8
131.08560	22.3
133.10106	22.3
135.08072	21.9
135.11679	6.9
137.05936	4.5
137.09593	19.3
139.04507	3.8
143.08548	4.0
145.06502	4.4
145.10126	28.8
147.11693	5.5
149.09546	25.4
151.11116	5.5
155.08466	4.1
159.11681	14.6
161.09618	4.3
163.11157	14.3
165.09137	8.2
201.16336	4.1
219.17467	8.5
229.15805	7.9
247.16914	29.1
258.36124	3.8
265.17920	25.2
270.59152	3.7
285.46991	4.4
300.29257	3.7
368.18771	28.7
386.19772	60.9
422.41776	4.1
515.24103	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	515.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91743	1.3
55.05490	8.8
56.96547	20.5
61.02919	2.4
67.05489	4.0
69.03417	8.0
70.06553	2.7
71.04966	3.4
72.08134	6.9
73.51085	1.5
81.03384	2.8
81.07036	6.5
83.04985	2.1
83.08591	3.7
84.08118	6.3
84.96014	10.2
85.02896	16.5
85.06535	4.0
87.04472	2.6
91.05463	6.8
93.06995	2.2
95.04944	19.1
95.08603	3.2
97.02859	6.9
97.06517	2.0
97.96779	7.0
98.09682	2.3
98.97561	65.8
99.04430	9.2
100.07613	1.8
100.11249	9.4
103.03918	4.0
107.08616	2.8
109.10165	2.0
110.97558	12.7
111.04432	7.3
112.11190	1.8
112.99120	2.0
115.97823	4.1
116.98598	41.8
119.04997	1.6
126.12776	10.6
127.03882	10.5
128.98573	30.1
131.00140	3.1
131.04869	1.8
133.06535	2.0
133.10100	2.0
134.99625	22.9
137.05959	9.8
140.98579	3.3
141.05501	2.0
143.00139	7.5
144.13795	17.9
144.98090	3.4
145.05028	2.4
146.99641	19.5
147.04437	2.1
149.01230	2.4
149.05957	1.7
151.03877	7.8
152.98581	3.6
155.06998	12.9
158.99620	14.6
161.01207	10.3
161.05939	2.5
162.99117	6.8
163.07573	1.9
165.00786	2.2
165.02127	1.9
170.99634	11.1
173.01221	2.2
177.00699	23.3
182.15411	8.7
183.03345	3.1
189.00684	7.2
191.02190	2.3
195.01765	6.7
201.00665	2.5
207.03267	27.2
207.05057	2.4
207.10110	2.5
209.15250	3.2
210.14891	8.6
219.01727	37.0
225.02313	2.5
225.04204	17.8
234.89673	1.7
237.02765	72.0
249.04359	2.1
249.08932	1.7
255.03799	3.9
261.04224	2.0
282.56638	1.6
309.06375	23.9
327.07458	100.0
330.69528	1.8
341.44495	1.8
381.08395	2.9
395.10037	9.4
419.09738	2.6
437.11432	2.9
455.12088	31.1
473.13235	6.8
515.14148	13.0
515.21082	3.5
515.38007	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.1
65.03924	2.8
65.13905	0.4
67.01855	2.1
67.05505	0.6
67.75288	0.5
68.99427	0.6
68.99776	9.4
69.03407	1.1
70.32066	0.4
73.66922	0.5
79.05476	1.0
85.02900	1.0
86.09734	0.4
91.05461	6.2
93.07012	0.7
95.04967	0.6
95.08568	0.8
97.02869	8.2
97.06495	0.7
99.04449	0.5
105.06998	1.0
107.04964	0.7
107.08580	0.7
109.06491	0.9
111.04411	1.0
117.06985	0.6
119.04913	23.2
119.08523	0.6
121.02843	40.0
121.03812	1.6
121.10080	0.8
123.08051	1.9
125.02335	3.1
127.03918	0.6
131.04910	1.7
133.10132	2.6
135.08066	0.8
137.05946	2.4
141.07005	0.9
143.03371	19.2
145.02812	1.1
145.06514	0.9
147.04456	0.6
151.03915	1.0
153.01804	15.1
153.07024	0.6
160.71230	0.5
163.03899	5.0
163.06204	0.9
165.07016	0.6
169.06477	0.8
171.02875	0.6
173.05952	1.2
173.13217	1.1
179.03384	1.0
185.05951	0.7
187.03860	1.1
187.07535	1.0
191.14333	2.4
197.06032	1.2
202.06345	0.8
203.07004	2.6
205.04861	0.7
209.06064	0.7
215.06990	2.1
223.07603	0.6
225.05495	1.9
227.06996	0.6
229.04881	5.4
239.07085	2.1
243.06458	35.8
251.07048	0.7
253.04884	0.8
255.06442	11.0
267.06451	6.4
268.07266	6.0
269.08002	0.7
271.05923	14.6
277.08835	0.7
287.06970	0.5
291.06461	6.5
293.07999	3.9
295.05963	11.5
297.07608	1.0
305.08066	8.0
307.09760	0.6
317.08011	2.1
319.05951	2.2
327.10239	2.6
333.07602	0.9
335.09061	2.6
337.07065	1.9
345.11124	1.8
361.07068	3.0
371.09122	3.4
375.15662	0.6
379.08069	3.7
437.10132	0.6
455.12006	0.8
469.12933	0.8
479.11160	24.8
497.12228	100.0
498.12296	0.7
515.13220	13.1
515.21149	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	514.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33073	1.0
53.03942	4.5
54.41452	1.0
55.01867	4.9
55.05507	29.9
57.03431	37.9
57.07070	4.7
58.30701	1.0
60.89760	0.9
65.03950	1.2
67.02672	1.0
67.05495	70.8
68.72807	1.1
69.03407	4.9
69.07061	26.7
71.04987	7.6
72.44070	1.0
75.03000	0.9
79.05009	1.0
79.05125	1.1
79.05479	60.3
81.03405	61.0
81.07042	100.0
83.04971	25.6
83.05432	1.4
83.08611	31.4
85.02890	23.7
85.06540	5.6
91.05466	48.8
93.07025	75.1
95.04949	26.4
95.08585	28.7
97.02886	1.3
97.06516	14.7
97.10146	5.0
99.08079	4.6
105.03423	2.2
105.07021	37.0
107.04939	7.6
107.08578	40.4
109.06530	9.5
109.10179	5.2
111.04450	1.5
111.08076	12.9
111.11720	1.4
113.06013	1.8
115.05462	1.4
117.07017	7.8
119.08561	26.6
121.06518	2.2
121.10147	24.3
123.08067	4.7
123.11697	2.4
125.09622	1.2
129.06985	12.1
131.08572	20.5
131.34113	1.1
133.06497	5.2
133.10114	16.9
135.08087	2.0
135.11638	8.0
137.05943	1.6
142.07756	4.7
145.10176	2.7
147.08087	2.0
147.11687	15.9
149.02403	1.5
149.05960	4.8
149.09636	5.2
149.13229	27.3
157.10098	14.2
159.11644	9.2
175.11145	11.0
177.12714	4.7
179.14343	2.3
193.12196	32.4
195.13823	7.8
200.20088	1.6
205.10988	1.3
211.13287	34.8
267.15900	14.2
269.17444	85.0
285.16867	30.4
321.24271	4.7
341.10101	2.5
461.28946	23.6
479.30005	77.3
514.28174	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02647	0.7
55.01869	39.7
55.05499	4.4
57.07075	1.7
59.44637	0.7
59.88421	0.7
62.67340	0.8
67.05495	14.7
68.05016	25.6
69.03407	1.1
69.05796	1.3
69.07053	7.4
70.02935	4.2
70.06576	8.1
71.04668	1.0
71.04982	17.3
74.09697	0.9
79.05473	11.8
80.04993	6.1
81.07043	14.3
82.06578	3.2
83.04964	1.5
83.08644	1.0
84.08106	0.7
91.05462	4.9
93.05737	1.1
93.07037	6.2
94.06539	7.1
95.04958	1.7
95.07330	1.0
95.08588	4.6
96.04448	1.3
96.08110	5.3
97.06509	11.4
98.09673	8.0
101.23727	0.8
105.07011	3.8
106.06546	15.8
107.04924	0.9
107.08584	4.1
108.08115	9.1
109.06543	0.9
109.10167	6.6
111.08038	0.9
112.07599	1.1
117.06993	1.6
118.06533	4.4
119.08540	1.6
120.04413	0.9
120.08086	5.8
120.11629	0.9
121.10128	1.6
122.06016	81.7
122.09656	1.3
124.07565	30.3
131.08521	1.9
133.08765	1.3
133.10135	1.3
134.05956	3.6
134.09628	4.8
135.08067	1.8
136.07568	32.7
137.09573	0.9
140.07056	16.4
148.07555	4.9
148.11195	4.4
152.07082	5.9
153.07843	5.0
162.08954	1.1
176.14311	35.9
186.12811	1.2
194.15355	4.7
204.13818	30.4
222.14868	72.3
259.04242	1.1
275.19855	2.0
283.26151	1.2
284.26508	1.3
323.71844	0.9
496.34134	100.0
500.02307	0.9
513.50677	2.0
542.19360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	38.7
57.03422	14.1
57.07065	22.7
59.79513	1.4
67.05487	10.9
69.07056	37.8
71.08603	11.1
79.05500	5.7
81.07026	12.4
83.04948	1.9
83.08608	26.2
84.91520	1.8
85.10161	2.6
89.06010	11.7
90.06339	2.8
93.07024	7.0
95.08592	10.7
97.06469	2.8
97.10153	19.3
97.71960	1.6
103.37699	1.9
105.07022	3.2
107.08601	3.7
109.10133	2.6
111.08080	1.8
113.00005	3.7
121.10149	3.5
133.08546	3.0
136.07648	2.9
149.13280	1.9
179.73007	1.6
201.16360	1.9
232.27249	1.9
234.66197	1.8
247.47772	1.8
311.25739	100.0
427.73846	1.9
513.50232	2.4
514.35779	1.9
514.50488	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	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91004	0.6
53.03933	2.9
55.01857	1.7
55.05500	5.1
57.03420	4.6
60.25205	0.6
61.02900	3.3
61.86227	0.7
64.63498	0.6
67.05488	10.7
69.03410	3.4
69.07036	3.0
70.06573	1.2
71.04967	0.9
73.02876	0.8
79.05476	10.0
81.03394	100.0
81.07032	11.2
83.04957	4.0
83.08601	23.1
84.33818	0.7
85.02888	6.7
86.09685	3.4
91.03939	0.9
91.05457	15.1
93.07013	8.6
95.04939	32.6
95.08588	4.5
97.02854	6.3
97.06497	1.3
97.10117	1.1
105.07005	12.2
107.04920	8.5
107.08571	4.4
109.02875	1.1
109.06497	3.6
109.10119	1.2
111.04411	4.1
111.08049	10.4
115.05439	1.2
117.07006	1.2
119.04865	1.0
119.08547	11.2
120.22891	0.7
121.06472	4.9
121.10132	6.3
122.57338	0.8
123.04427	4.0
123.08061	0.9
127.03905	1.6
129.06981	10.2
131.08533	10.1
133.06464	4.2
133.10095	6.7
135.08101	0.7
136.07565	0.9
137.05957	8.7
137.09566	1.4
138.04634	0.8
142.07745	1.7
145.04924	1.5
145.10124	1.7
147.04369	1.5
147.08064	3.4
147.11674	8.3
149.09631	6.5
157.10114	13.6
158.59424	0.7
163.11072	1.0
165.12715	1.3
175.11140	13.0
181.08554	1.5
182.15337	0.8
189.12744	1.0
193.12193	62.7
211.13200	4.0
211.22324	0.7
235.13226	4.3
253.14220	0.9
267.15848	23.9
273.14767	1.6
285.16901	54.2
301.14246	3.2
309.16946	3.5
317.13766	4.5
319.15363	2.8
334.17413	0.8
337.16235	3.1
355.17572	0.8
363.17825	1.6
393.18753	0.9
504.14117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
53.44176	0.4
55.01854	1.1
55.05497	5.0
57.03429	4.5
57.07079	0.4
58.73988	0.4
61.02916	3.4
67.05494	8.6
69.03413	2.6
69.07071	1.4
71.04974	1.0
71.31990	0.4
72.25211	0.4
73.02870	0.8
74.36216	0.4
74.86626	0.4
79.05470	8.1
81.03397	100.0
81.07034	8.4
83.04957	5.1
83.08602	22.9
85.02877	3.0
85.06498	0.4
91.03932	0.8
91.04893	0.7
91.05448	13.6
93.07014	7.7
95.04942	31.0
95.08570	2.5
97.02888	3.7
97.06506	0.8
97.10126	1.9
99.08076	0.7
105.07006	9.4
107.04935	9.2
107.08558	3.9
109.02853	0.5
109.06509	1.9
109.10146	1.0
110.84992	0.5
111.04415	2.0
111.08069	9.7
117.07008	0.5
117.16955	0.5
119.04926	0.7
119.08544	10.9
121.06467	2.6
121.10103	5.4
123.04422	2.3
123.08072	0.7
125.09673	0.5
129.06969	8.7
131.08539	8.8
133.06467	4.0
133.10112	5.3
135.11752	0.7
137.06004	0.6
137.09602	1.8
142.07787	2.3
145.10118	0.9
147.04428	0.7
147.08061	3.3
147.11653	8.0
149.09581	5.5
155.08664	0.6
157.10106	12.6
163.11172	1.0
165.12750	1.9
175.11134	14.3
189.75832	0.4
193.12199	60.2
211.13205	3.8
232.27765	0.5
235.13274	0.7
267.15848	36.4
273.15030	0.6
285.16898	56.8
290.56534	0.5
309.16852	6.6
351.18155	0.8
363.17987	1.1
375.17960	1.9
393.19073	0.7
411.20010	0.8
429.21143	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	514.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.8
55.05513	1.2
56.30776	0.5
57.03422	1.0
61.02932	0.7
62.65655	0.5
65.03924	0.6
67.05493	3.9
69.03419	4.2
69.07061	0.8
70.06568	1.0
71.01319	0.6
71.04974	1.2
71.63268	0.5
72.08131	1.0
73.02917	0.6
79.05472	2.7
81.03399	2.0
81.07043	2.6
83.04958	0.8
85.02899	6.2
85.06537	2.0
87.04459	0.8
91.05460	3.4
93.07034	0.6
94.04151	1.0
95.04964	3.7
95.08577	2.1
97.02869	2.4
97.06522	0.7
97.10168	0.6
99.04473	0.8
100.05461	0.5
103.03919	0.5
103.05447	0.5
105.07054	3.6
107.04942	1.2
107.08530	0.8
109.02881	1.2
109.06528	1.0
109.10086	0.9
111.04427	2.3
117.06989	0.7
119.04955	0.8
119.08512	1.3
120.08093	1.1
121.06461	0.8
122.03621	2.7
125.06019	0.7
127.03894	1.3
127.07533	2.0
129.05473	0.4
131.04929	3.2
133.10133	2.8
135.08075	0.9
137.05965	100.0
139.03967	0.6
141.05437	1.2
145.02856	0.8
145.05034	0.6
149.05933	0.6
149.09608	0.8
151.03983	0.7
151.07585	1.0
155.07005	4.6
161.05934	0.8
161.09592	1.0
163.07472	3.8
167.07013	1.0
173.08052	0.8
175.07559	0.7
177.05521	0.8
179.08524	0.6
181.08551	7.8
187.07437	0.7
189.09053	0.9
197.11848	0.7
207.08076	1.1
208.10829	0.9
224.08360	0.7
225.09085	1.0
225.14970	0.6
235.07515	0.7
237.09067	0.7
239.10623	1.3
241.08742	0.8
267.10205	2.6
268.50391	0.7
282.14523	2.4
285.11169	3.6
299.12531	2.2
299.15292	0.9
317.13489	4.2
514.26917	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
54.38091	0.2
55.01863	2.6
55.02100	0.3
55.05261	0.4
55.05503	5.3
56.95240	0.2
57.03168	0.5
57.03426	6.6
59.04987	0.5
61.02910	3.1
61.46139	0.3
65.03928	0.3
67.05489	10.4
69.03421	3.3
69.07053	2.6
70.06582	0.6
71.01324	0.5
71.04975	2.8
72.08138	0.6
73.02904	1.3
73.03341	0.2
75.04470	0.5
79.05473	11.1
81.03398	100.0
81.07033	12.0
83.04961	6.6
83.08601	24.7
84.08135	0.4
85.02889	5.1
85.06517	0.6
85.26471	0.2
86.09685	1.1
86.63811	0.3
91.03932	0.7
91.04883	0.6
91.05456	15.4
93.07018	8.4
93.07565	0.4
93.30782	0.2
95.04945	31.3
95.08584	3.9
97.02870	5.1
97.06501	1.9
97.10140	2.7
99.04407	1.1
99.08046	0.4
103.03899	1.4
105.07012	11.2
107.04940	9.1
107.08573	5.1
109.02877	1.1
109.06498	4.5
109.10147	1.6
111.04453	2.5
111.08064	10.0
115.05436	1.8
117.06988	2.0
119.04944	1.5
119.08560	12.6
121.06477	2.8
121.10101	5.8
122.03566	0.4
123.04402	1.8
123.08057	1.8
123.11682	1.1
124.07583	0.3
125.09637	1.1
127.03870	1.4
129.05472	0.5
129.06976	10.2
131.08543	9.1
133.06467	4.5
133.10097	6.0
135.08032	1.1
135.11629	0.6
136.06190	0.7
137.05968	8.9
137.09618	2.2
142.07733	2.6
145.04941	0.5
145.10129	2.1
147.04391	1.5
147.08041	4.4
147.11676	10.0
149.09604	6.6
151.03888	0.5
151.11131	0.3
155.08508	0.4
157.10101	14.5
161.09595	0.4
163.11148	1.7
165.12715	2.2
175.11150	16.0
182.15388	0.3
189.12663	0.4
193.12209	60.6
207.13840	0.4
210.14848	0.4
211.13228	5.0
235.13249	2.1
249.14873	1.2
259.13327	0.5
267.15851	41.1
273.14789	0.5
285.16904	57.6
286.17105	0.4
309.16907	7.0
327.18045	0.4
351.18231	0.7
363.17853	1.8
375.17862	1.4
393.18948	1.5
411.19882	1.1
429.21124	4.8
447.21964	0.5
514.22144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12950	0.8
55.05503	0.8
57.03412	1.4
60.84546	0.7
60.88981	0.8
67.05478	4.6
69.03404	5.4
70.06585	1.9
71.04970	1.9
72.08142	1.1
80.04089	0.8
81.03394	4.5
81.07033	1.9
83.68836	0.7
84.83490	0.9
85.02885	7.5
85.06511	3.1
86.06047	1.4
86.09668	0.8
87.04433	1.6
91.05462	5.6
93.07041	1.5
95.04956	8.6
95.08574	5.8
97.02866	4.3
97.06509	4.5
99.04414	1.6
103.03917	1.0
103.05429	4.9
105.07017	2.1
107.04932	2.0
109.02853	3.6
109.06492	6.1
111.04441	1.7
111.08066	1.0
111.16302	0.8
112.65613	0.8
115.05450	5.2
116.42577	0.8
117.07013	4.5
121.06483	4.9
122.03628	3.4
122.06013	0.9
123.04380	1.2
123.08079	2.0
125.05972	10.2
127.03880	4.6
127.07571	0.9
130.04103	1.7
131.04913	13.3
132.05673	1.3
133.10120	1.0
135.04405	4.7
135.08032	4.9
136.07639	1.0
137.05959	94.9
139.03870	0.8
141.05446	2.0
143.04890	1.3
144.05730	0.9
145.06487	2.0
146.09311	1.0
147.04390	4.6
147.08073	3.4
149.05925	6.5
150.06752	1.0
151.03860	5.1
151.07523	6.2
155.07019	9.8
160.05164	5.8
161.05977	8.4
162.06720	13.7
163.06230	1.8
163.07504	29.5
167.06955	6.4
170.08130	1.1
175.07523	18.1
177.05345	1.2
178.07709	4.4
179.08517	10.0
181.06471	4.7
189.05431	9.3
191.08578	1.0
195.08028	5.4
196.08768	6.8
203.08476	0.9
206.07199	5.9
207.08055	12.9
208.08824	1.0
219.08032	1.4
221.09607	6.6
223.07474	3.2
224.08279	9.9
225.09123	1.6
234.06757	3.6
235.07585	8.8
236.08305	1.1
237.08984	1.7
238.09938	6.8
239.10628	9.3
249.09036	9.7
250.09930	1.2
251.06888	4.4
252.07738	2.0
253.08635	1.0
255.10101	1.1
265.08609	1.2
266.09366	16.1
267.10110	46.3
271.13098	1.2
281.11655	52.3
284.10522	1.4
285.10947	1.8
295.29202	0.8
299.12714	100.0
308.14618	1.2
317.13794	60.9
360.48700	0.9
380.37619	0.9
514.27716	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	513.3035
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
50.77103	0.5
51.35123	0.5
54.65246	0.6
55.05508	0.8
55.49348	0.6
57.07068	1.6
66.90565	0.6
67.05489	1.1
69.07076	0.9
70.06583	1.0
71.08620	0.6
77.99745	0.6
81.07079	0.9
87.17932	0.8
88.07642	0.8
91.05487	0.9
93.07029	1.0
95.08616	0.7
102.09194	0.8
132.27875	0.7
203.56129	0.7
246.52298	0.9
256.26367	3.0
272.33044	0.7
283.26215	2.2
284.26642	1.1
308.39438	0.8
451.82367	0.7
512.50262	2.7
513.30267	100.0
513.50708	2.9
514.30469	1.1
538.34961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	2.2
53.03930	2.6
55.01851	3.5
55.05511	25.1
57.03420	11.2
57.07055	3.1
61.02927	21.6
62.22338	2.2
67.05493	48.1
69.03415	9.9
69.07053	15.4
73.02906	9.0
79.05474	77.4
81.03397	4.4
81.07037	58.3
83.04955	3.6
83.08598	14.5
85.02900	18.9
91.03944	4.1
91.05463	61.0
93.07025	100.0
94.17149	2.2
95.04945	11.7
95.08593	42.0
97.02883	11.9
97.10156	2.7
99.08050	2.7
105.07014	64.1
107.04915	3.1
107.08587	52.0
109.06479	3.2
109.10135	11.8
113.26183	2.2
117.07013	15.4
119.08567	53.4
121.10112	36.9
129.06982	10.9
131.08516	22.8
133.10127	45.8
135.08051	2.9
135.11696	33.7
141.07022	3.3
142.07770	3.5
143.08571	15.1
145.10107	24.0
147.11671	33.2
149.13248	15.1
157.10080	10.6
159.11661	18.4
161.13249	23.2
163.14758	5.0
171.11650	18.8
173.13245	13.0
175.14784	11.6
181.10179	3.1
185.13252	12.2
199.14796	5.2
203.14291	2.2
231.20975	4.0
241.19377	23.7
259.20505	56.2
277.21567	4.7
325.46127	2.4
333.24420	3.9
351.25217	69.7
427.10287	2.9
427.16394	3.0
441.26102	4.6
459.26974	3.1
477.28067	2.4
487.86377	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	513.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85412	4.1
53.03937	5.1
54.23992	4.1
55.01840	6.5
55.05491	35.4
57.03424	8.4
57.07058	34.9
67.05492	88.7
69.03403	30.4
69.07061	39.6
70.06570	24.8
71.04943	5.3
71.08622	6.0
71.95361	5.8
79.05469	78.6
79.99124	5.0
81.03414	57.4
81.07046	100.0
83.08601	24.7
85.02881	11.2
88.07602	22.9
89.49303	4.7
91.05460	75.1
93.07019	90.4
95.04918	12.8
95.08595	68.7
97.02872	11.6
98.98434	5.8
102.09151	10.8
105.07014	55.9
107.04943	8.4
107.08574	62.5
109.02868	6.2
109.06508	9.0
109.10139	33.8
117.07008	24.8
119.08585	44.5
121.10114	29.8
129.06947	10.3
131.08540	31.5
133.10117	11.5
135.11652	21.6
137.09642	6.5
143.08606	7.0
145.10086	25.4
147.07964	6.7
147.11691	23.3
152.37509	5.8
155.08546	7.0
157.10126	10.3
159.11679	12.6
171.11766	4.9
173.13258	11.9
235.16827	7.9
249.18452	12.5
256.26306	37.1
266.91806	5.4
283.26224	42.7
284.26651	19.6
369.24109	8.9
386.18063	5.9
387.25250	11.4
405.26129	7.2
460.05026	5.3
497.53287	5.8
512.50537	47.8
513.50623	40.4
514.78265	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	512.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01866	1.3
59.04983	0.4
63.17681	0.3
65.03931	2.7
67.05509	0.5
69.07053	0.4
71.21577	0.3
75.14520	0.3
79.05479	4.3
81.07037	0.4
89.53666	0.3
91.05454	8.2
93.03384	2.7
93.07038	0.4
94.04172	1.4
95.04950	2.2
103.05474	3.1
105.07014	40.0
107.04926	1.5
107.08629	0.5
109.06521	2.5
110.03681	0.4
111.04431	5.6
115.05463	0.5
117.07063	1.1
119.04922	6.2
121.10170	0.4
122.03638	4.2
123.04394	1.8
124.05186	1.8
125.05975	5.1
128.06203	1.4
131.04893	0.5
131.08539	0.5
133.06473	39.3
135.04448	0.6
136.05130	0.5
137.05959	100.0
143.08534	7.1
144.75014	0.3
145.06468	1.4
145.10072	0.5
148.05182	0.5
149.05951	1.4
150.06674	0.8
151.03925	5.3
151.07526	25.6
153.05450	5.3
159.08046	0.6
160.08841	0.4
162.06718	0.6
163.07501	4.2
165.09084	69.9
168.23064	0.4
168.30568	0.3
171.07993	6.0
172.08757	1.3
173.05920	0.7
175.07481	0.6
177.09073	1.6
179.07031	0.4
183.11745	0.6
188.08282	9.2
189.08957	0.5
191.63457	0.3
196.08861	0.5
199.11143	0.5
201.09087	0.4
203.10646	22.6
211.11111	0.6
221.11661	2.2
237.09004	0.4
287.12906	2.8
301.14252	1.9
303.13339	0.5
307.16953	0.6
317.15186	0.7
335.16293	2.1
353.17371	2.9
371.18353	0.6
455.76407	0.4
477.22693	10.4
477.28879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20785	0.7
53.00296	1.1
55.05497	1.8
55.43500	0.6
57.07069	6.7
58.42889	0.6
60.49666	0.8
66.62955	0.7
67.05480	4.1
69.07053	15.1
70.06580	6.4
71.08614	5.1
75.47820	0.6
77.55308	0.6
78.39201	0.7
79.05479	1.4
79.23345	0.7
79.51346	0.8
81.07030	5.0
83.08591	1.4
86.09689	100.0
88.07607	4.8
89.06004	7.3
93.07007	3.2
95.08583	9.2
97.02519	0.8
97.10113	1.7
102.09148	4.0
109.10149	1.0
121.10115	1.2
123.08046	0.9
132.10193	9.8
133.08595	3.3
158.93820	1.0
221.58119	0.8
235.16815	1.2
256.26294	11.5
283.26199	14.3
311.29367	1.3
327.19977	2.0
380.35309	1.1
448.41434	13.7
466.42548	10.5
476.41019	1.0
494.41891	3.5
512.50220	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	512.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14792	0.2
53.03922	0.2
55.01858	0.4
57.03415	0.5
59.04988	0.3
61.02915	1.0
66.29951	0.2
67.05464	0.3
69.03411	1.8
71.04964	1.1
76.01349	0.2
79.05476	0.6
81.03390	0.6
81.07027	0.5
85.02417	0.4
85.02892	6.8
91.05439	2.2
93.06498	0.2
93.07019	2.6
95.04931	0.6
95.08601	0.3
97.02879	1.9
99.04442	2.5
100.04774	0.2
103.03909	0.4
103.05452	4.9
104.61156	0.2
105.07011	0.4
106.71349	0.2
107.04932	0.6
107.08553	0.3
109.02835	0.6
109.06467	0.3
109.10143	0.5
111.04448	0.4
117.06990	1.0
119.04966	0.3
119.08560	2.3
121.06484	13.2
122.03616	1.2
123.08027	0.5
123.11738	0.3
127.03874	1.2
129.06964	0.5
131.03940	0.5
131.04906	13.5
133.06537	0.3
135.11653	0.2
137.05954	37.5
137.09554	0.5
144.05676	0.4
145.04889	0.6
145.06465	5.2
147.08028	100.0
148.08424	0.4
151.01283	0.2
159.08046	0.2
163.07507	31.7
165.03648	0.2
165.09073	6.6
173.09575	9.0
177.75241	0.3
191.10612	3.3
193.03220	0.6
193.90089	0.3
227.16425	0.3
269.11694	2.5
286.17651	0.3
297.14789	1.1
315.15784	5.3
348.12366	0.3
418.16791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92877	0.2
51.02370	0.2
53.03943	0.6
55.01858	0.9
55.05506	0.3
57.03427	1.8
59.05022	0.2
61.02913	1.3
64.00239	0.2
67.05496	1.1
69.03414	2.7
69.07047	0.5
70.06598	0.3
71.04981	0.4
73.02908	0.5
79.05473	2.5
81.03407	2.5
81.07034	2.7
85.02891	9.7
87.04446	0.3
91.05465	2.0
92.08590	0.3
93.07043	0.5
94.04169	1.5
95.04938	1.3
96.05729	0.2
97.02876	3.2
99.04445	0.4
99.29409	0.2
100.11268	0.2
103.03927	1.0
103.05432	0.9
105.07030	0.5
107.04915	1.7
109.02831	1.8
109.06499	2.8
109.10126	0.6
110.03633	1.5
111.04434	0.3
111.08076	1.6
116.98669	0.2
119.04932	1.0
119.08536	0.3
121.06467	1.8
122.03622	5.1
123.04429	1.8
123.07999	0.3
124.05185	3.0
125.05970	5.2
127.03889	2.0
127.11167	0.3
131.04930	1.4
133.02866	0.3
133.06430	0.5
135.04430	0.6
136.05202	1.3
137.05957	100.0
138.06302	0.4
139.07518	15.3
145.04941	1.0
147.04416	3.6
147.08023	0.5
148.05136	1.2
149.05972	1.4
151.07527	10.5
153.05452	13.7
153.12675	0.3
155.06987	1.1
155.14304	0.5
157.06384	0.3
161.05962	1.6
163.07573	0.9
164.04576	0.4
165.05511	0.3
165.06958	0.4
167.07004	97.3
173.09584	1.1
179.06999	10.0
180.08575	0.3
183.07997	0.5
191.07008	1.3
191.10526	0.4
195.07971	0.3
197.06001	0.4
199.07462	0.3
209.08032	1.6
211.07527	1.5
212.08228	0.3
224.08266	0.5
225.05548	0.4
227.07030	0.6
229.08498	0.5
239.06958	1.1
240.07761	0.6
243.10123	1.2
252.07762	0.5
253.04874	0.3
255.06413	1.1
255.10158	0.4
257.07990	0.4
269.08057	1.1
271.09625	1.1
272.10345	1.7
283.09741	2.6
284.10355	1.3
285.07541	0.6
287.09143	2.1
288.09952	1.9
300.09857	1.2
303.12219	11.6
315.12195	6.6
318.10892	0.4
329.11392	0.3
333.13300	5.2
375.11728	0.3
465.15726	0.3
489.05392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.303
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
51.75604	0.1
52.95412	0.1
55.05508	5.7
57.03421	2.3
57.07066	4.2
58.07372	0.2
58.61520	0.2
61.02941	0.2
64.33260	0.2
65.03925	0.8
67.05492	4.1
69.07054	7.5
71.08615	2.3
75.04426	0.3
79.05482	1.3
81.07043	5.8
83.08603	5.4
85.10171	1.4
86.09692	0.4
91.04877	0.4
91.05459	11.8
92.05797	1.9
92.08651	0.3
93.07030	2.0
95.08584	5.3
97.02863	0.2
97.06539	0.7
97.10161	2.6
98.98446	7.6
103.83645	0.2
107.08614	1.3
109.10136	2.0
111.08056	0.6
111.11710	0.4
116.99475	0.2
119.04922	35.0
120.05259	6.2
121.10093	1.6
123.11664	0.3
125.09664	0.2
135.11679	1.5
137.09697	0.2
139.11293	0.2
147.04390	100.0
148.04726	21.9
149.13307	0.3
155.01033	2.4
165.05428	0.9
173.02032	0.3
184.07381	0.2
185.06184	0.2
198.08913	0.2
221.07948	0.3
239.23705	0.3
240.24025	0.2
247.24101	0.3
265.25125	0.8
313.27316	2.2
314.27530	1.2
329.26724	0.7
330.27072	0.4
331.28366	0.2
339.28876	14.7
396.37512	0.2
408.67184	0.2
475.30457	5.7
476.30862	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	512.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22176	0.5
52.20142	0.5
54.81461	0.6
55.01862	0.7
57.73835	0.5
58.22913	0.5
58.55992	0.5
67.06175	0.6
69.03420	1.2
85.02893	5.1
91.05485	1.0
95.04965	1.1
95.08598	0.8
97.02821	0.8
99.04399	0.8
103.05436	0.6
110.07148	3.2
115.93037	0.6
119.04917	1.2
121.06460	4.1
122.03606	3.8
131.04871	0.7
135.04361	0.7
137.05956	91.0
145.06447	1.1
147.04314	0.6
149.05957	10.0
151.07513	11.6
151.74902	0.8
153.06949	5.8
156.07640	1.0
161.05943	8.9
163.07483	8.5
165.06978	11.2
166.07742	7.9
167.07048	1.1
167.08562	0.8
172.05167	0.7
174.06665	1.3
175.07350	0.7
177.05611	0.8
177.07004	4.0
178.07733	1.4
179.06995	6.0
179.08513	3.7
181.06450	9.4
182.07254	3.6
190.07750	1.0
191.06989	1.2
191.08530	1.5
193.06493	11.4
194.07236	33.4
195.08020	4.9
197.09622	2.7
198.06691	1.4
205.06464	10.2
206.07249	0.9
207.08031	3.2
208.08781	0.9
209.06026	3.3
209.09627	5.2
210.06686	7.4
211.07625	5.3
213.09113	8.4
219.08005	2.6
221.05936	22.0
222.06714	25.6
223.07512	2.3
224.08237	4.4
225.09071	14.1
227.06976	1.1
233.05954	5.5
234.06767	0.8
235.07480	3.0
236.08218	1.2
237.05415	1.2
237.09047	20.7
238.06227	3.1
239.06956	4.1
239.10533	1.5
240.07774	0.8
241.08528	6.6
248.08266	0.8
250.06206	6.1
251.06865	2.9
252.07716	4.3
253.08510	13.7
254.09303	3.8
255.06465	2.6
255.10056	0.9
258.08792	1.5
264.07742	1.4
265.08533	73.3
266.09192	0.8
267.06982	1.2
267.10086	14.1
270.08807	1.4
273.11133	7.4
279.10019	3.0
282.08817	5.6
285.11157	54.6
297.11157	100.0
303.12219	10.3
315.12210	32.7
333.13293	3.3
349.45218	0.7
477.17047	1.4
517.53149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.5
55.05494	2.0
67.05472	1.8
67.52998	1.1
69.03405	2.0
69.07063	2.0
73.02898	5.9
76.32220	1.2
77.03853	1.2
79.05485	2.9
81.07047	4.6
83.08618	1.4
85.02896	2.6
87.04447	2.1
89.06013	14.1
91.05459	8.4
93.07011	2.4
95.04964	2.4
97.02897	1.4
97.06520	1.3
103.05447	2.3
105.07005	5.4
107.04906	2.1
109.02913	1.4
111.04453	1.4
115.05444	2.4
117.07021	2.0
119.04932	2.5
121.06499	2.3
122.03641	7.0
127.03839	1.4
131.04933	5.7
131.08594	1.5
133.06479	5.3
133.08589	5.7
135.04401	4.6
135.08003	2.1
137.05960	100.0
138.06349	2.1
143.04936	2.1
145.06516	1.9
147.04381	1.9
149.05971	2.6
151.07507	8.0
161.05949	9.1
163.07550	5.9
165.07025	7.0
165.09088	7.6
174.06837	1.6
175.07500	2.7
177.09085	8.3
177.11238	1.6
178.07814	1.2
179.08473	1.6
181.06319	1.2
182.07300	4.7
187.07491	5.4
191.08566	2.5
193.06499	6.8
195.07985	2.1
197.09627	2.0
207.08054	1.8
209.05946	1.6
210.06747	7.7
215.10643	14.4
219.08046	4.7
221.05971	13.5
223.07570	1.6
224.08319	7.6
225.09200	10.6
227.07114	2.0
235.07538	1.7
236.08267	2.5
238.06145	1.8
239.10657	2.0
241.08397	1.4
249.08981	1.4
251.10611	6.2
252.07779	2.9
253.08545	16.2
255.06398	1.6
264.07779	2.6
267.10104	10.8
269.08273	1.2
270.09009	2.1
279.10034	12.1
285.11258	24.1
299.12735	6.6
311.09763	1.3
311.12723	11.9
326.60034	1.4
329.14041	1.9
511.23059	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	511.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.7
54.21781	4.5
55.01860	20.5
55.05505	54.9
56.06941	4.2
57.03423	30.2
61.02907	26.4
62.04021	5.3
67.05495	98.2
69.03423	46.9
69.07059	54.6
71.01353	4.8
71.04961	9.3
72.68786	4.6
73.02898	5.6
78.29407	4.5
79.05476	90.5
79.79221	3.9
81.03397	74.0
81.07036	100.0
83.04957	28.2
83.08602	26.6
85.02887	38.8
85.84036	4.6
91.05455	87.5
93.07037	96.3
95.04958	26.6
95.08591	50.5
97.02878	30.7
97.06503	19.2
97.10167	11.0
105.07011	79.8
107.04953	32.3
107.08564	49.4
109.02819	6.9
109.06535	10.6
109.10130	34.1
111.04446	6.9
111.08088	7.7
117.06980	21.3
119.08565	55.6
121.06451	7.2
121.10128	40.3
125.09606	10.6
127.03874	5.2
129.06963	8.3
131.08533	38.4
133.06470	8.8
133.10150	41.3
135.08008	9.0
135.11707	12.9
137.05960	21.8
143.08508	6.4
145.10139	38.5
147.08031	6.2
147.11685	23.3
149.09599	9.7
155.08607	9.3
159.11690	21.2
163.11192	21.6
171.11574	5.8
173.04463	6.1
173.13289	7.4
187.95192	5.4
222.09315	6.0
257.18903	11.0
265.14288	6.7
267.16040	7.5
275.20020	59.4
283.15363	5.4
321.30463	6.2
349.23724	72.9
352.25491	8.3
493.27637	21.6
511.28519	32.0
530.22180	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	511.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77725	0.4
53.03944	0.5
54.81435	0.4
57.03409	0.5
61.02866	0.5
67.05478	0.9
70.06572	0.5
70.85657	0.5
71.04945	1.8
72.02766	0.6
81.03379	0.7
81.07028	2.2
85.02877	2.5
85.06525	1.1
91.05456	2.3
95.04954	0.9
96.08086	2.0
97.02864	0.8
99.04443	6.4
100.04768	1.0
100.17619	0.5
103.05459	0.6
105.07040	0.6
107.04898	0.6
107.08575	2.1
109.06477	0.8
109.10143	0.8
110.07158	0.5
119.04906	0.9
121.06436	0.5
122.03608	1.0
123.07996	2.5
123.11674	0.5
124.07589	7.9
127.03847	1.1
131.04916	2.3
133.10143	0.6
135.08095	0.8
137.05966	21.6
138.09117	3.5
151.07524	2.6
161.05914	0.8
161.09555	0.6
163.07507	6.9
165.05464	0.9
170.40616	0.5
183.13760	0.8
189.09013	1.0
195.07941	1.2
207.10158	0.8
222.04144	0.6
227.10490	0.7
227.16394	3.9
228.16797	2.1
239.10164	0.6
240.11282	2.4
241.09682	0.7
241.12015	2.1
252.11212	0.6
254.12712	0.8
260.10309	0.9
266.09225	5.9
267.09940	23.4
268.10403	0.6
280.10712	0.9
282.12332	26.3
283.10663	2.9
285.11206	1.0
296.13962	0.8
298.11841	0.7
300.13446	12.2
311.10110	3.2
326.11307	100.0
327.11728	2.3
328.12851	4.9
342.14334	4.0
346.14020	4.2
372.11841	60.4
426.75781	0.5
465.21439	1.2
511.21768	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88044	0.3
53.03942	0.4
55.01863	0.6
64.33495	0.3
65.03882	0.4
65.35633	0.3
67.05486	0.6
69.03410	0.4
74.56923	0.3
79.05481	1.5
81.03370	0.5
81.07030	0.6
83.08622	0.4
91.05467	5.9
93.07040	0.7
94.04166	3.1
95.04932	1.8
95.08563	0.4
100.11225	0.5
103.05449	13.3
105.07001	3.3
107.04935	2.6
107.08551	0.3
108.05707	0.3
109.06497	2.2
111.04414	0.4
115.05430	1.9
117.06998	2.2
119.04917	2.8
119.08541	1.5
121.06491	2.8
122.03635	10.1
123.08051	0.7
125.05980	0.4
127.03851	0.4
128.06186	0.7
129.06970	3.1
131.04909	20.2
131.08498	0.6
132.05736	0.4
133.06474	1.5
135.04335	0.4
135.08026	1.3
136.05182	0.6
137.05960	100.0
138.06328	0.5
143.04883	0.8
143.08449	0.5
145.06509	1.8
146.03679	0.4
146.07231	0.8
147.04436	1.5
147.08002	0.5
147.11560	0.3
148.05180	1.5
149.05963	1.5
149.09616	0.4
151.07527	11.8
157.06467	0.7
159.08014	0.7
160.05205	0.6
161.05949	21.1
161.09590	4.9
162.06711	0.4
163.07515	25.8
165.06990	1.4
165.09099	2.3
167.08565	0.5
170.52647	0.3
174.06735	1.5
175.07527	5.2
175.11166	1.4
177.09077	16.2
178.07722	0.5
179.08566	1.2
181.06456	0.5
182.07224	0.4
182.15263	0.4
183.08017	0.3
187.07477	0.7
189.09065	9.0
190.07748	0.6
191.08540	0.6
195.08157	1.2
195.10161	1.6
196.08824	0.7
205.06383	0.8
205.10147	0.7
207.08041	1.9
207.10144	8.3
208.09033	0.5
209.09492	0.4
211.07637	0.6
211.11052	0.4
218.07191	0.7
219.08047	1.4
221.06018	0.4
221.09535	1.7
221.11560	0.8
224.08249	0.8
225.09158	1.3
231.07857	0.5
233.09619	0.7
234.06786	0.8
235.07520	3.3
235.11154	0.4
236.08243	0.5
237.09109	1.6
238.09909	0.6
239.06912	0.4
239.10658	1.6
241.08475	0.6
247.07516	1.4
248.08243	0.4
249.09094	0.7
250.09962	0.5
251.06868	0.6
251.10658	1.4
252.07742	0.8
253.08614	0.8
253.12013	0.4
254.09358	0.7
261.09149	0.8
263.06982	0.4
263.10632	0.4
264.07828	0.7
265.08542	1.9
265.12027	0.5
266.09326	1.6
267.10129	3.2
269.08057	1.6
269.38617	0.4
273.07794	0.3
277.08533	0.5
278.09381	0.7
279.10074	2.8
280.10953	0.5
281.11765	1.8
282.08713	0.6
283.09653	0.6
284.10458	1.2
285.11099	1.6
287.12427	0.5
293.11575	1.5
295.09662	0.4
296.10397	0.6
297.11221	5.4
298.11789	0.4
299.12790	2.8
309.11127	0.5
310.12106	0.4
311.12726	6.1
313.14102	2.4
317.13861	0.5
325.14365	2.4
334.08948	0.4
337.14340	0.5
343.15350	7.0
346.20096	0.4
351.15756	1.3
357.17200	1.7
369.16995	1.7
493.21976	1.9
511.14349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14601	1.4
58.52382	1.5
67.39317	1.3
72.08133	2.1
83.95544	1.4
85.02894	1.5
85.69415	1.7
96.31655	1.4
110.93107	1.3
133.04968	1.5
137.05928	3.3
145.06479	1.9
148.58611	1.5
186.32510	1.6
288.54745	1.7
349.08899	100.0
493.94409	1.7
511.14099	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	511.2184
Annotation	Hypochoeroside G
Peak:m/z	Relative Intensity
69.03443	2.5
71.05013	0.6
76.80913	0.5
79.05463	0.5
84.08147	0.5
85.02912	2.3
87.38855	0.4
91.05476	1.0
93.07087	0.5
94.04188	0.5
99.04462	0.9
103.03901	0.5
107.05001	0.6
110.20297	0.5
113.02368	0.7
119.04965	0.8
121.06612	0.5
121.52807	0.5
122.03623	1.8
122.05987	0.6
127.03876	0.5
129.48395	0.4
131.04897	1.8
136.07565	0.6
137.05952	21.1
143.08554	0.6
151.07564	2.8
161.05946	0.8
163.07535	3.6
185.07054	5.3
186.07860	0.6
189.09001	0.7
191.75652	0.5
195.08084	0.6
198.11562	0.6
200.09468	1.2
201.10304	0.8
203.10574	0.7
214.10832	0.6
215.34761	0.5
217.09576	0.8
221.05870	0.6
223.08604	0.6
225.10291	3.4
226.10959	4.6
239.11758	2.4
241.09689	2.5
241.13348	2.9
244.08403	9.8
245.09129	16.4
253.08737	0.6
258.10007	0.8
261.08646	33.6
261.92377	0.5
267.10892	1.0
273.12241	0.6
283.10806	4.7
285.12305	19.1
287.12839	2.1
293.09216	0.6
301.11865	5.0
311.10147	12.5
315.09625	0.7
329.11243	43.6
339.09702	3.0
357.10785	18.3
374.13394	100.0
375.13657	0.7
511.21719	34.7
513.49731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
57.07060	0.1
58.05327	0.1
65.03921	0.6
66.18450	0.1
67.05479	0.5
69.07062	0.5
73.81217	0.1
78.92184	0.1
79.05465	0.1
80.76232	0.1
81.07030	0.5
82.95255	0.1
83.08604	0.2
86.09693	0.2
91.05457	10.4
93.06996	0.2
95.08588	0.5
97.10155	0.1
104.10714	0.1
109.10101	0.1
109.34716	0.1
119.04917	34.8
121.10140	0.1
147.04387	100.0
148.04724	0.3
165.05408	0.2
167.06006	0.1
181.55138	0.1
221.08051	0.3
236.34047	0.1
272.65369	0.1
303.26968	0.1
309.08789	0.1
329.26801	0.4
475.30392	5.9
513.23004	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	510.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81512	0.1
55.05505	1.3
57.03427	0.7
57.07069	2.7
61.02908	0.2
64.36667	0.1
65.03919	0.6
67.05490	1.3
69.07055	1.6
71.08614	2.1
75.59968	0.1
79.05470	0.3
80.49384	0.1
81.07034	1.8
81.70251	0.1
83.08598	1.3
85.02901	0.2
85.10181	1.2
86.09690	0.1
91.05460	9.6
93.07023	0.3
95.04889	0.1
95.08582	1.9
97.02859	0.1
97.06498	0.2
97.10178	0.8
98.98434	0.4
104.10725	0.6
105.75847	0.1
107.08586	0.3
109.10162	0.9
113.09716	0.1
119.04922	32.7
120.05225	0.2
121.10138	0.5
123.11677	0.2
126.48673	0.1
135.11745	0.2
147.04391	100.0
148.04710	0.6
158.75539	0.1
158.84407	0.1
161.23297	0.1
165.05428	0.8
173.02005	0.1
184.07292	0.3
221.08009	0.2
239.23625	0.6
257.24722	0.2
275.79901	0.1
304.07733	0.1
311.25742	0.1
313.27277	3.2
329.26810	1.1
331.28311	0.6
339.28775	0.7
358.76398	0.1
430.31958	0.2
475.30481	10.3
476.30533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82838	1.4
55.01857	2.0
56.90887	1.6
57.03424	2.0
57.30020	1.4
61.02917	2.1
64.01009	1.6
67.05492	2.8
68.40503	1.5
69.03416	9.6
69.07023	1.6
79.05482	2.3
81.03392	4.2
81.07062	3.2
83.98898	1.5
85.02890	26.3
91.05458	9.7
93.07027	10.2
95.04942	2.3
97.02885	10.7
97.06486	1.9
99.04407	2.7
103.03928	3.7
103.05453	1.9
105.07020	10.9
107.04950	38.4
107.08584	4.0
109.10141	2.2
111.04426	2.1
111.33311	1.8
119.04948	10.0
119.08562	3.0
121.02919	2.7
121.06483	27.2
123.08099	2.2
127.03865	8.5
129.06940	3.9
131.04909	10.7
133.06465	51.4
135.04460	2.4
136.07591	2.4
137.05960	33.8
138.06348	3.6
145.04921	2.0
145.06471	2.3
147.04448	3.7
149.05978	4.2
151.03886	2.2
151.07520	16.4
161.05933	8.7
161.09557	2.6
163.07477	7.5
175.07581	2.7
177.09073	100.0
179.08492	4.6
182.07280	2.4
185.09592	2.1
189.09090	10.7
195.08089	10.0
197.09561	23.4
203.08485	3.3
207.08080	4.1
207.09935	2.9
211.07513	2.6
211.11041	2.2
217.10127	2.9
219.08060	10.4
221.09555	7.1
221.11740	7.8
223.07501	6.8
223.11115	15.8
224.08244	3.7
225.09027	19.6
226.14499	2.7
227.10631	3.6
234.10388	10.3
235.07556	2.5
236.08218	4.3
237.09038	8.3
239.06940	3.5
239.10641	7.9
240.07608	2.1
241.08601	2.3
247.07559	2.9
249.09048	15.2
249.12723	18.2
251.10710	14.1
252.07788	8.5
254.09413	4.2
255.10194	9.1
257.11621	23.8
262.09845	10.2
265.08588	2.3
265.12100	4.2
267.10086	41.7
267.13065	3.5
269.11624	3.2
277.12137	17.6
280.10995	19.3
283.13040	12.1
285.11194	8.4
295.13177	50.4
300.13583	6.9
301.14203	46.9
313.14325	38.5
329.13586	2.3
331.15506	14.1
346.13959	11.5
347.14233	12.7
492.30151	2.8
510.20270	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	510.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01859	4.3
56.86890	0.9
57.03417	1.8
61.02904	4.2
61.88936	0.7
65.74194	0.8
68.11311	0.8
69.03418	14.9
71.04971	1.2
79.05460	0.9
81.03394	5.6
81.33234	0.8
85.02890	40.3
91.05477	10.1
92.08652	1.6
92.63291	0.8
93.07001	7.8
95.04959	2.1
97.02866	10.2
99.04431	2.3
103.05467	6.5
105.06998	7.0
107.04941	80.8
107.71922	1.0
109.02855	4.6
109.06474	1.4
111.04399	0.9
115.05389	1.1
117.07017	1.8
119.04922	17.0
121.02850	5.4
121.06484	100.0
127.03854	8.7
129.06990	8.9
131.04929	12.0
133.06465	23.0
135.08058	1.6
137.05949	15.8
139.07541	1.5
141.07005	1.4
144.05695	1.2
145.04985	4.1
145.06435	6.0
147.04437	1.4
147.07997	3.4
149.05983	5.4
151.07535	7.6
157.06480	8.8
159.08051	5.8
161.05978	3.6
163.07509	13.5
165.06979	1.6
165.09114	1.7
167.08574	7.2
169.06390	1.3
169.10081	1.9
174.06738	4.3
175.07523	2.2
177.06906	1.4
177.09091	5.6
178.07674	1.2
179.08522	18.0
181.06451	4.1
182.07246	13.6
182.80206	1.0
189.09085	18.0
194.07201	2.0
195.08020	27.5
195.21794	1.1
196.08839	1.1
197.09592	62.7
205.06453	4.4
205.10110	1.9
207.08014	5.8
207.10005	1.3
208.08723	1.4
209.09583	1.5
210.06746	6.2
218.07169	1.3
219.10144	3.7
222.06706	1.1
223.07584	24.0
223.11095	28.5
224.08157	1.3
225.09059	51.1
233.09538	1.4
236.08293	1.7
237.09108	5.9
239.07007	4.0
239.10646	2.2
240.07790	2.1
242.09299	4.0
243.50977	1.1
251.10628	10.4
255.10075	28.2
257.11670	86.1
267.10013	2.0
269.11700	5.5
283.13232	42.3
283.41473	1.0
301.14282	96.3
382.66455	1.0
428.28152	1.0
463.19577	13.8
464.18576	0.9
464.48917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.1
53.03937	0.1
55.01860	0.1
55.05507	1.8
57.03424	0.7
57.07063	0.6
58.48522	0.1
59.23335	0.1
61.94026	0.1
67.05495	1.1
69.07046	1.5
71.08611	0.3
74.64520	0.1
76.51118	0.1
78.29939	0.1
79.05479	1.7
81.07043	1.4
83.08603	1.3
88.19340	0.1
89.03896	5.6
89.04454	0.2
89.24187	0.1
91.05470	0.2
92.09313	0.6
93.07023	0.7
95.04946	0.2
95.08605	0.9
97.06544	0.2
97.10152	0.5
107.04938	2.4
107.08570	0.3
109.10119	0.2
109.15640	0.1
117.03358	9.1
121.10128	0.6
125.09583	0.1
135.04391	25.0
135.11679	0.6
139.03842	0.1
145.02832	18.2
149.13254	0.2
163.03874	100.0
164.04193	0.6
181.04906	0.8
186.05524	0.2
237.07474	1.0
304.19302	0.1
311.25418	0.2
314.30920	0.2
329.26813	0.8
337.27164	0.2
368.18295	0.1
474.99057	0.2
491.29953	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	509.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22705	0.2
50.57426	0.2
51.20269	0.2
55.05491	1.0
57.03414	0.3
57.07067	0.4
65.00800	0.2
65.47725	0.2
67.05502	0.5
69.07053	0.5
79.05470	2.2
81.07034	1.0
83.08544	0.4
86.15031	0.2
89.03904	6.9
91.05403	0.3
92.64735	0.3
93.07037	0.4
95.04945	0.3
95.08591	0.3
107.04945	3.5
109.10163	0.3
112.31626	0.3
117.03359	11.0
117.04151	0.5
127.95885	0.3
135.04391	28.8
135.11559	0.3
136.04745	0.3
140.52563	0.3
145.02827	19.5
163.03874	100.0
164.04190	0.4
180.99117	0.3
237.07497	1.2
254.49338	0.3
267.74017	0.3
373.59201	0.3
448.69916	0.4
474.50330	0.3
491.29895	6.0
509.28632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20184	1.6
55.01868	3.5
57.03440	3.5
58.88434	1.8
60.04514	9.1
61.02916	9.0
61.95836	1.9
65.77973	2.6
69.03414	10.6
73.02891	2.8
75.33286	2.2
81.03414	4.6
84.04498	3.5
84.08110	2.3
85.02898	33.6
91.05470	9.3
95.04932	3.1
97.02872	15.7
115.05457	10.1
117.06984	33.5
119.04892	3.3
120.08075	2.8
123.04391	8.5
126.73659	2.3
127.03926	4.0
128.21204	2.1
129.06953	5.5
131.04921	10.9
137.05962	94.4
141.06956	7.4
143.04913	37.9
145.04903	4.6
145.06465	69.4
147.04425	2.5
148.89149	2.5
151.03874	9.9
151.07529	20.1
153.06952	4.7
157.06487	9.5
160.05186	12.3
161.05968	11.4
162.06755	11.3
163.07530	13.2
169.06476	22.8
173.05998	18.5
174.06746	3.0
175.07500	100.0
177.09100	35.9
181.06464	15.1
185.06039	2.9
187.07571	11.9
189.09079	26.2
191.06981	2.7
193.08586	12.3
197.05919	25.1
198.06670	2.3
199.07603	4.1
201.09140	19.5
203.06964	3.5
203.10851	2.9
205.08543	43.3
207.10085	8.6
211.07565	2.4
213.09024	2.6
216.09781	3.4
217.08638	11.9
223.09656	27.1
229.08600	57.6
231.09991	7.4
235.09636	9.9
241.08592	5.4
243.10168	4.6
247.09706	16.2
259.09576	21.5
265.10739	2.3
277.10706	40.9
295.11758	9.2
303.53687	2.4
385.81598	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	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77681	0.4
53.00281	0.8
53.03924	2.5
54.29886	0.5
55.01853	1.4
55.05236	1.3
55.05503	34.6
55.87001	0.5
56.05830	0.5
57.03429	15.1
57.07070	9.0
61.02910	1.3
63.81246	0.5
65.03918	1.5
67.05490	72.0
68.05819	0.9
69.07053	39.5
70.07378	1.1
71.04980	0.8
71.08601	4.0
73.02873	0.7
74.08913	0.6
75.04440	0.9
78.09132	0.5
79.05472	22.9
81.03367	0.9
81.07036	71.3
82.07368	1.3
83.04948	1.1
83.08604	24.2
83.36967	0.5
84.08943	0.7
85.02874	0.8
85.06506	0.6
85.10144	0.8
86.09684	3.0
90.51140	0.6
91.05460	12.3
92.09318	1.5
93.07024	23.6
94.07383	1.0
95.04956	1.2
95.08581	50.8
96.08913	1.2
97.02853	0.8
97.06496	6.8
97.10146	10.9
98.98444	57.3
99.08073	1.1
104.10718	3.1
105.07016	5.6
107.08579	16.4
109.10141	18.6
111.08042	2.8
111.11692	1.5
113.09652	0.7
116.99496	0.7
119.08529	4.8
120.44875	0.7
121.10115	21.2
122.10424	2.5
123.11672	8.2
125.00001	1.5
125.09590	0.9
133.10103	4.2
135.11656	12.4
136.11986	2.4
137.00008	0.8
137.13229	4.2
139.11157	1.0
147.11674	1.4
149.13284	5.5
153.12701	0.7
155.01015	16.0
161.13213	2.4
163.14812	2.5
173.02077	4.3
175.14717	0.8
184.07297	4.8
195.22899	0.6
219.21040	6.4
220.21373	1.2
229.04721	2.6
237.22041	8.8
238.22330	4.4
245.22717	1.3
247.05827	1.1
255.23105	1.5
256.23361	0.9
263.23694	4.3
311.25726	8.7
312.26035	6.1
319.26318	1.0
326.74490	0.6
329.26752	5.3
330.27094	3.3
337.27295	100.0
473.26410	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	509.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75941	0.6
53.03934	1.2
54.81210	0.7
55.01849	1.0
55.05486	0.7
57.38338	0.5
67.05482	1.2
68.17485	0.6
69.07027	0.7
70.15941	0.5
74.79321	0.6
79.05463	6.3
81.03370	0.7
81.07036	2.9
91.05456	14.7
93.07011	4.4
94.04169	3.7
95.04919	3.3
95.08595	1.3
103.05428	3.2
105.07014	3.9
107.04951	6.8
107.08572	3.2
108.05703	1.4
109.06475	3.4
111.04434	1.2
115.05421	5.5
117.06995	5.9
119.04914	8.2
119.08561	2.5
121.06479	8.2
122.03622	9.8
123.04425	0.8
123.08047	6.0
128.06200	1.3
129.06978	5.1
131.04944	4.5
131.08517	1.3
133.06500	1.1
135.07961	2.4
136.05191	1.4
137.05954	100.0
141.06920	0.7
143.04880	2.8
145.06480	4.5
146.03639	1.3
146.07245	1.4
147.04407	1.3
147.08005	1.2
149.05963	3.5
149.09619	2.4
150.86815	0.6
151.03876	3.2
151.07518	55.5
153.06943	0.7
154.07738	0.7
157.06439	3.3
159.07991	0.9
160.05122	1.0
161.05942	32.4
161.09601	4.7
162.06566	1.0
163.07516	3.9
165.07001	5.3
165.09082	3.3
167.08493	0.9
174.06723	2.9
175.07535	10.1
177.09085	12.6
177.59869	0.7
178.07858	1.3
178.09396	4.5
179.08476	1.6
179.09875	0.8
181.06467	3.8
182.07236	3.0
185.05817	0.7
187.07480	1.6
189.05365	0.7
189.07294	1.2
189.09074	11.9
191.08592	1.2
193.06415	5.3
194.07283	1.6
195.08171	2.3
195.10117	21.5
196.08800	0.9
199.07434	1.1
203.08223	0.7
205.06430	4.6
205.08269	0.8
206.07419	0.8
207.08176	2.2
207.10156	4.5
208.08922	0.8
209.06007	1.6
209.09424	0.8
210.06738	3.5
211.07547	1.5
213.09131	1.0
218.60764	0.7
219.07994	4.0
219.10155	2.9
221.05942	7.4
221.09544	0.8
222.06757	2.7
223.07527	2.9
224.08311	2.9
225.05487	0.8
225.09148	6.2
227.06966	2.6
231.07884	0.8
233.05869	2.9
234.06693	3.2
235.07469	4.3
236.08228	1.3
237.09116	6.1
238.06221	1.2
239.06865	2.6
239.10622	2.6
240.07777	0.8
241.08557	1.3
245.09589	0.9
248.08102	0.8
249.09045	3.7
250.06134	1.5
251.06970	3.0
252.07782	2.6
253.08524	7.4
254.09172	0.9
255.06355	1.0
261.08951	0.8
262.09750	0.8
263.10495	0.9
265.08521	15.1
266.09357	1.3
267.10159	6.9
268.07132	0.8
269.08093	2.7
270.08463	1.2
273.11383	1.1
277.08517	3.6
277.11877	0.9
279.06491	0.8
279.09827	1.1
281.08121	1.2
282.08694	1.2
283.09586	5.4
284.10263	1.5
285.11151	14.3
287.12796	1.3
287.41577	0.7
294.08554	1.3
295.09671	0.9
295.13123	0.9
296.10321	0.9
297.11206	19.4
299.12772	1.0
309.11359	1.1
311.12793	9.6
317.13718	5.2
323.12698	3.5
337.14267	2.8
341.13699	2.9
355.15314	0.8
418.45300	0.8
429.17218	0.9
447.17447	0.8
461.19284	3.0
479.20554	10.3
491.20065	1.2
509.26855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60201	0.9
54.81648	1.3
55.01876	1.8
55.64939	0.9
62.90611	0.9
65.28237	0.9
67.05481	1.6
79.05480	7.3
81.03418	1.2
81.07025	1.9
91.05480	12.9
93.07030	6.3
95.04958	4.3
96.52232	1.1
103.05475	2.5
105.07035	6.4
107.04941	100.0
107.08571	2.4
115.05435	2.5
117.07014	6.6
117.96596	1.1
118.26281	1.0
119.04232	1.1
119.04922	9.9
119.08549	1.8
119.42148	1.1
120.05616	1.2
121.02799	4.9
121.06488	14.6
123.08049	7.6
129.07010	6.0
131.04901	10.3
131.08542	2.4
133.06451	1.4
135.08037	4.5
136.05194	1.8
137.05968	31.3
145.06483	7.5
146.07306	1.4
147.04408	4.4
147.08047	1.6
148.05159	1.5
149.06026	1.4
149.09607	2.0
151.03886	1.5
151.07527	47.8
157.06480	2.2
159.08005	2.3
161.05963	14.3
161.09589	2.7
163.07521	7.1
165.09074	1.9
167.08440	1.7
174.06807	2.0
175.07507	8.6
175.33153	1.1
177.09096	9.6
178.07765	1.7
179.08472	4.4
181.06427	2.3
186.13235	1.2
187.07498	2.1
189.06970	1.0
189.09036	10.2
191.08597	2.2
191.10609	1.6
194.07280	2.2
195.08081	6.9
195.10162	32.1
197.05957	1.2
200.08334	1.3
201.09117	1.8
205.08554	2.7
207.08084	10.3
207.10085	2.0
209.09555	1.6
212.08333	1.3
219.08095	2.6
221.06033	1.3
221.09799	1.9
223.07487	6.5
224.08347	5.5
225.09097	2.1
231.07944	1.3
235.07466	12.9
237.09129	5.8
245.09442	1.3
247.07533	2.6
249.09071	2.3
251.06946	1.5
251.10551	1.5
252.07765	1.5
253.08470	2.5
255.10083	8.1
261.08954	1.3
267.10086	16.6
269.11679	1.6
273.09091	1.4
277.08649	2.4
279.10138	2.2
285.11221	2.3
287.12805	7.1
292.23996	1.2
300.82526	1.5
311.12741	9.5
337.14438	2.3
343.15320	1.8
350.15222	1.6
351.15222	1.5
367.15231	4.6
431.18488	2.7
449.19424	12.0
461.19696	1.6
473.19666	1.7
508.26056	1.8
509.27463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13597	0.2
64.33267	0.3
70.06589	0.3
81.03400	0.2
85.02874	0.4
86.09688	0.3
107.04893	0.2
117.76283	0.2
120.08060	1.2
120.69801	0.2
122.20673	0.2
122.89957	0.2
137.05968	0.6
147.04370	0.3
161.05884	0.3
162.00069	0.3
193.04907	0.4
195.10011	0.2
223.08638	0.3
224.08099	0.4
225.10187	0.2
238.09705	1.5
239.10373	2.2
240.11284	1.4
241.12105	0.3
244.08560	0.3
252.07658	1.3
253.08388	1.0
254.09380	0.4
254.12813	0.5
260.10358	0.2
262.11606	0.2
266.09180	8.9
267.09970	27.5
280.10687	0.5
282.12332	14.9
283.10626	1.5
284.10248	0.3
293.13708	0.3
298.11743	1.1
300.13300	2.5
311.10168	2.6
326.11310	100.0
327.11633	1.0
328.12802	0.4
339.08615	0.9
342.14148	0.3
346.13904	0.5
354.10770	0.3
372.11847	69.6
373.12244	0.6
389.93246	0.3
430.78961	0.3
509.20230	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91175	0.7
52.00211	0.8
53.03931	0.7
55.01855	1.7
57.15312	1.1
62.60991	0.9
64.33587	0.9
65.03928	1.4
67.05477	1.8
69.85222	0.9
77.19343	0.9
79.05466	7.6
81.07027	2.4
85.02883	1.5
88.40485	0.9
89.18998	0.8
89.78261	1.0
91.05463	19.2
93.07052	1.4
94.04189	2.1
95.04921	4.6
97.02836	1.4
97.06504	1.0
103.05438	7.4
105.06997	8.9
107.04932	35.0
107.08549	1.5
109.06506	2.0
109.10101	1.0
115.05435	8.9
117.06993	6.7
119.04896	12.6
119.08540	1.8
120.72055	0.9
121.02863	1.5
121.06470	12.6
121.39394	1.1
122.03593	8.2
123.08028	4.2
127.03888	1.5
128.06174	3.8
129.06973	12.6
131.04903	13.0
131.08569	4.6
132.05681	1.0
133.02849	1.2
133.06439	5.6
135.04388	1.9
135.08000	4.6
136.05128	1.8
136.35869	0.9
137.05949	100.0
138.06316	2.0
143.04892	2.3
145.06413	4.6
146.03630	1.2
146.07242	6.7
147.04369	6.2
147.08014	5.2
148.05151	4.9
149.05965	6.7
149.09724	1.1
150.92130	0.9
151.03874	6.7
151.07518	47.6
157.06451	8.1
158.07103	1.0
159.08000	2.2
159.09216	1.0
160.05180	1.8
161.05946	94.3
161.09560	20.3
162.06721	1.6
163.07529	13.1
165.05568	1.1
165.06981	2.4
165.09039	3.8
167.08493	1.8
174.06664	8.0
175.07516	27.3
176.43340	0.9
177.06810	0.9
177.09085	5.9
178.07657	1.6
179.08511	4.9
181.06476	2.1
187.07458	1.6
189.07159	1.3
189.09070	39.0
191.08559	1.9
193.06287	1.3
194.07198	1.5
195.08084	4.8
195.10133	17.2
196.80551	1.0
197.09732	1.1
199.43274	1.0
201.09070	1.1
202.07674	1.1
205.06438	5.8
207.08035	6.2
207.10123	32.6
208.08809	1.3
209.09576	1.9
210.06668	1.8
211.07524	3.8
213.09081	1.2
218.07233	1.7
219.07993	5.4
219.10133	4.2
220.08734	1.6
221.05994	2.0
221.09500	1.3
222.06705	2.3
223.07451	4.7
224.08302	2.4
225.09070	5.3
233.05971	1.7
234.06824	5.1
235.07457	5.4
236.08311	1.3
237.09001	8.3
238.06343	1.6
239.06963	1.8
239.10722	1.9
240.07587	1.3
241.08583	4.3
247.07565	2.1
248.08304	1.9
249.09097	7.0
250.06189	1.8
251.10501	2.2
252.07735	1.6
253.08589	9.2
254.09399	1.2
255.06519	2.3
255.10004	3.9
262.06155	1.3
263.07037	2.0
264.07724	1.6
265.08517	11.8
267.10193	9.3
268.07129	1.0
269.08017	1.1
269.11789	1.5
270.08804	4.1
274.09894	1.1
277.08478	6.2
277.12180	1.1
278.09015	1.3
279.09955	2.3
280.07010	1.3
281.08139	2.1
282.08826	1.5
283.09628	4.6
285.11142	6.6
287.12839	1.6
291.10266	1.3
293.11615	1.6
295.09494	1.6
297.11310	11.1
299.12985	3.4
305.11844	1.3
308.10416	1.3
309.11188	4.0
311.12842	12.3
317.13846	2.2
323.12604	5.5
337.14407	8.7
349.14081	1.2
355.15460	9.5
365.88159	1.0
367.15167	4.5
375.15878	1.3
449.20151	1.2
461.19006	1.6
479.20410	5.1
509.21011	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81428	0.4
55.01864	3.0
64.38439	0.2
65.89034	0.2
67.21834	0.2
68.93430	0.3
69.03381	1.0
71.15697	0.3
76.33272	0.3
81.03318	0.3
84.08106	0.3
85.02808	1.8
92.09370	0.3
95.04918	0.4
97.02818	0.3
100.01070	0.3
107.04897	0.3
108.04414	1.1
108.28520	0.3
110.05956	0.5
134.05911	0.5
137.05954	0.6
138.05400	1.1
147.04416	0.4
151.07581	0.3
152.03358	1.7
160.03833	1.1
160.07469	0.3
161.04651	0.3
162.05420	1.1
170.09488	0.4
172.07402	0.4
176.06938	1.6
178.04951	3.6
182.09607	0.4
183.09163	0.4
184.07594	0.6
185.07016	1.4
185.10699	1.1
187.05023	2.4
188.03452	0.3
197.06981	1.4
199.08667	3.9
199.12061	0.3
201.06563	3.1
201.10086	1.7
205.06067	1.2
209.07040	0.5
209.10683	0.4
210.09109	1.2
211.08755	2.4
212.10736	0.5
212.42380	0.3
213.06567	6.4
213.10179	4.8
215.08037	0.3
215.11703	0.7
219.07516	1.1
225.06372	0.3
227.08119	8.0
227.11716	3.5
228.10287	1.0
229.09659	3.6
229.13297	0.4
231.07605	5.0
237.10257	3.5
238.08594	2.5
239.08052	1.5
239.11671	0.6
240.10121	0.5
241.09676	6.2
242.46884	0.4
243.11119	0.5
245.09128	2.5
250.07164	0.5
251.08025	1.4
254.06956	0.4
255.07568	11.7
255.11171	7.5
257.09082	2.8
257.12769	2.1
259.07022	0.6
259.10605	1.2
265.09653	4.9
266.07980	1.5
267.07449	2.2
267.11166	0.3
268.09604	0.5
269.09131	9.8
273.08673	7.6
273.12186	1.2
275.10220	0.5
283.10718	22.0
284.09009	0.7
285.08710	0.5
285.12177	0.4
287.10184	2.6
293.09164	6.4
301.11771	5.0
311.10211	46.1
319.12814	1.8
329.11261	65.4
330.11761	0.6
347.12311	100.0
348.12875	0.6
509.18051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
57.03449	0.3
63.62680	0.3
66.09633	0.3
69.03392	0.6
72.08116	0.3
78.10263	0.3
85.02882	1.8
91.87663	0.3
93.07021	0.6
97.02856	0.5
97.06518	0.8
107.08558	0.4
108.04479	0.4
110.06019	0.5
116.40904	0.3
119.08545	0.5
121.10106	1.4
123.04417	0.5
125.09657	0.3
127.03843	0.3
131.04909	0.5
137.05986	1.6
138.05426	0.5
147.04443	0.5
148.07477	0.3
152.03442	0.7
160.03929	0.8
161.04674	0.7
161.05922	0.4
162.05463	0.8
167.10606	0.5
168.06497	0.5
175.07501	0.5
176.07016	1.5
178.05014	2.7
183.09151	0.4
184.11115	0.4
185.07076	0.8
185.10732	0.4
187.04965	1.7
193.04956	1.4
197.06956	0.6
197.10690	0.5
198.09160	0.5
199.08600	3.4
200.09209	0.5
200.10840	0.5
201.06511	3.5
201.10216	1.4
209.10733	0.7
210.09155	0.8
211.08661	0.7
211.12326	0.4
212.10770	0.6
213.06512	5.4
213.10152	3.5
215.11804	0.6
219.07874	0.3
219.10222	0.5
223.08800	0.4
225.06467	0.5
227.08156	7.0
227.11682	3.1
228.10313	0.4
229.09706	3.7
231.07579	4.0
235.09615	2.1
236.09886	0.4
237.10097	3.1
238.08539	0.8
239.08073	0.8
239.11646	0.7
240.06381	0.4
240.10184	0.5
241.09692	5.1
242.08078	0.4
243.11275	0.7
245.09140	1.5
255.07610	10.9
255.11197	6.2
256.09482	0.5
257.09238	2.3
257.12756	1.7
259.07367	0.5
259.10669	0.8
261.11179	0.6
265.09705	4.2
266.07932	0.6
267.07578	1.9
268.09644	0.4
269.09167	9.3
273.08594	5.1
275.10123	0.4
275.13644	0.5
283.07590	0.7
283.10712	20.3
285.12357	0.6
287.10281	3.5
293.09088	6.4
293.13907	0.4
300.32721	0.4
301.11737	4.2
311.10199	39.9
319.12823	1.6
321.52908	0.4
329.11252	63.6
343.69861	0.4
347.12311	100.0
396.16046	0.4
509.17642	1.8
523.00128	0.4
528.75500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15789	1.2
55.05505	61.2
57.03414	12.9
57.06815	2.1
57.07068	35.5
60.42707	1.2
61.02917	16.5
67.05489	69.5
68.78867	1.2
69.07053	83.2
71.04989	2.4
71.08614	16.0
73.02903	2.0
75.04453	1.8
75.84515	1.2
79.05472	40.3
81.03331	1.4
81.07040	100.0
83.08603	87.0
85.02882	12.8
85.06519	3.1
85.10170	3.2
86.09690	6.6
91.03933	7.9
91.05477	3.0
93.07024	64.1
95.04964	1.7
95.08579	75.4
97.02884	9.7
97.06519	23.6
97.10149	39.2
99.08089	6.0
104.10739	6.8
107.08575	43.4
109.10142	26.4
111.08073	15.7
111.11716	10.9
113.09634	1.4
121.10120	92.6
123.11681	22.5
124.99963	2.7
125.09608	7.5
135.04387	2.0
135.11665	75.8
137.13243	14.4
139.11143	5.7
145.02803	1.4
149.13243	29.3
150.19446	1.4
151.14803	3.0
153.12703	2.5
163.03877	8.5
163.14845	10.8
177.16394	3.1
184.07321	7.0
195.00282	9.2
219.18985	3.1
219.21045	71.8
237.22090	98.2
255.23148	29.5
311.25748	79.6
314.27686	2.6
329.26794	56.8
433.65552	1.4
508.33536	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	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26364	0.1
52.49838	0.1
54.14687	0.1
54.81786	0.1
55.05503	0.7
56.05033	0.3
57.03425	0.2
57.07057	0.2
58.06585	0.1
58.64856	0.1
59.70141	0.1
60.08155	9.1
67.05489	0.8
69.07062	1.0
71.07358	4.3
71.75018	0.1
77.22769	0.1
79.05459	0.1
81.07029	0.5
83.08594	0.3
86.09692	46.5
88.86337	0.1
93.07030	0.6
95.08580	0.6
95.42722	0.1
98.98445	3.7
104.10722	3.9
124.99985	34.8
143.01064	0.3
161.80910	0.1
184.07312	100.0
194.78944	0.1
263.71680	0.1
325.27200	0.2
337.27420	0.5
377.06302	0.1
490.32654	0.9
508.33853	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	508.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
55.05504	68.8
57.03434	15.1
57.07067	32.7
60.25550	1.4
61.02916	14.4
63.10194	1.3
67.05491	72.5
67.05852	2.4
67.84933	1.4
69.07053	78.6
71.04979	3.6
71.08620	14.1
73.02921	2.0
79.05476	45.3
81.07038	100.0
83.04948	2.6
83.08604	79.0
84.64716	1.5
85.02889	13.3
85.06517	6.0
85.10163	7.4
86.09719	2.0
91.03949	3.3
91.05499	1.8
93.07023	53.1
95.08585	79.4
96.57721	1.4
97.02888	7.5
97.06493	24.4
97.10149	39.1
98.98447	6.8
99.08079	2.4
104.10731	3.1
107.08578	42.4
109.10139	30.5
111.08054	12.6
111.11707	3.1
121.10114	90.0
123.11696	13.7
124.99983	1.7
125.09623	9.0
135.11664	60.3
135.12662	2.1
137.13245	13.7
139.11180	9.8
149.13251	30.2
151.14822	1.6
153.12762	2.8
155.01042	2.1
157.68877	1.6
163.14832	12.8
167.14273	1.8
177.16379	2.1
184.07361	6.3
195.00397	1.5
215.78532	1.7
219.21049	68.1
220.08731	1.5
237.22096	94.2
255.23120	23.2
311.25739	85.0
329.26788	56.8
337.27386	9.7
343.32355	1.8
414.25797	1.9
473.31277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67099	0.8
54.89288	0.9
54.95583	0.8
55.01854	0.9
55.05503	1.9
57.07059	1.3
57.41747	0.9
67.05481	2.0
69.07056	4.4
71.08611	1.1
79.05488	8.1
81.07056	4.9
83.08605	1.5
89.59381	0.9
91.05474	7.7
91.23932	0.9
95.04948	2.3
95.08627	1.3
96.79971	1.0
97.10143	2.0
103.05460	14.9
104.06248	1.0
104.51614	0.8
105.07020	68.9
107.04945	2.2
107.08627	1.7
109.06530	5.6
111.04436	1.3
115.05426	3.7
117.06989	7.5
119.04926	4.0
121.06474	1.9
122.03635	4.9
124.05191	2.2
128.06201	6.4
129.07095	0.9
131.04953	9.0
131.08586	1.7
133.06474	55.0
135.04414	1.1
137.05963	100.0
143.08511	8.0
144.05696	3.7
145.06487	5.6
145.10089	1.4
146.07300	1.5
147.08072	1.2
149.06006	1.6
151.07507	9.7
159.07994	1.5
161.05989	1.4
161.09634	2.1
162.06741	25.2
163.07523	6.9
164.08304	1.9
165.09087	82.0
171.08028	8.1
173.05894	1.4
173.09549	1.1
175.07503	9.9
177.09090	25.4
188.08328	12.1
189.09082	2.2
191.10635	7.9
203.10660	43.1
205.12206	10.9
209.94902	1.1
263.10785	1.3
299.12790	4.0
311.25931	1.4
327.15878	14.7
351.49890	1.1
367.19043	4.0
491.17380	2.1
491.24161	31.8
507.32645	1.1
508.26990	4.1
508.33603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25546	0.5
53.00303	0.8
53.03930	1.3
55.01863	3.0
55.05505	2.6
56.05036	0.6
57.03430	15.3
61.02921	1.0
67.05497	0.7
69.03409	7.6
70.06560	2.8
71.04974	78.4
72.08121	0.8
73.02898	2.9
74.73876	0.6
75.04453	4.2
79.05474	2.7
81.03397	2.7
81.07040	1.0
83.04964	9.4
84.04499	6.6
85.02888	100.0
85.06533	0.8
87.04458	2.8
88.59236	0.6
91.05446	3.1
93.07012	1.5
95.04952	1.0
95.08607	1.1
97.02875	5.0
97.06491	2.8
99.04439	3.3
103.03957	0.9
103.05446	2.9
105.07006	13.0
107.04938	4.2
107.08522	0.8
109.02888	2.7
109.06507	1.1
109.10145	0.7
111.04433	6.5
117.22109	0.6
119.04916	2.9
119.08584	2.6
120.66138	0.6
121.06470	3.7
123.04437	0.7
123.08037	0.8
127.03888	3.5
128.06171	0.8
129.05450	22.2
129.06955	1.5
129.09155	0.9
130.05022	5.9
130.60930	0.6
131.04924	1.6
133.06450	11.3
133.10191	0.9
135.08015	2.4
136.07516	0.7
137.02354	0.8
137.05952	21.2
138.06310	1.3
141.01813	3.0
145.04996	0.7
145.06487	2.9
147.04401	1.6
147.06502	10.7
147.07686	4.9
149.09621	1.1
151.07544	2.9
157.06508	0.7
161.05948	4.9
161.09604	1.4
162.06416	1.1
163.03893	0.7
163.07516	4.9
164.07968	1.0
164.09174	4.0
165.01804	40.2
165.09061	30.3
166.08617	3.7
174.06795	1.3
175.07555	2.9
177.09033	2.7
179.03444	0.8
179.10704	1.2
181.08534	0.8
183.02847	37.2
183.10139	0.8
189.09026	9.1
190.09419	0.8
191.03404	1.3
193.04912	3.6
195.10161	0.9
201.09212	0.9
205.08585	1.1
207.10141	7.4
208.03143	0.7
217.08652	0.9
231.10258	1.2
235.09602	2.6
249.11205	1.0
261.11188	1.2
275.12723	3.8
285.07516	31.8
285.10834	1.2
293.13901	2.6
309.11743	0.8
328.25204	0.7
329.70020	0.7
331.15317	1.4
332.15649	0.9
339.64432	0.7
346.25854	0.6
508.31491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.12535	0.2
55.01868	1.3
57.03422	0.5
61.02904	1.6
67.05515	0.3
68.51615	0.2
69.03414	4.3
73.02905	0.3
79.05470	2.3
81.03391	2.3
81.07051	0.4
85.02888	14.2
87.04434	0.3
91.03925	0.3
91.05468	1.5
95.04954	1.2
97.02864	3.8
99.04455	0.3
103.05438	2.9
105.07011	36.8
107.04942	0.5
109.02860	1.6
109.06485	1.9
117.06980	1.5
119.08578	0.3
121.06480	0.3
122.03624	1.1
124.05199	1.6
127.03909	1.7
129.06920	0.3
131.04924	1.1
131.08562	0.3
133.06465	38.7
137.05954	53.8
138.06325	0.3
143.08534	0.2
145.04942	1.3
145.06494	0.4
150.06746	0.4
151.07515	1.2
163.07504	0.6
164.08279	1.0
165.09077	100.0
166.09406	0.3
177.09077	8.0
180.08664	0.5
191.10658	0.4
205.12213	4.0
231.10158	0.4
292.00235	0.3
329.17404	7.1
508.25589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2721
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.00298	1.3
53.03946	2.0
55.01862	1.4
55.05507	26.8
57.03179	0.9
57.03434	17.7
57.07065	3.3
58.48745	0.6
59.02465	0.6
59.50848	0.6
65.03930	1.9
67.05497	74.7
69.07062	18.4
71.04981	1.6
73.65602	0.7
75.04461	1.8
76.77007	0.7
77.00163	0.9
79.05481	47.5
81.07041	61.9
83.04950	2.9
83.08611	7.6
88.18954	0.7
91.05470	26.6
93.07030	54.9
95.04938	5.6
95.08595	49.5
97.06496	4.3
97.10136	0.9
98.98454	83.0
105.07011	18.1
107.08586	25.0
109.06499	1.1
109.10146	14.2
111.08046	0.8
116.99464	3.2
117.07008	5.2
118.24988	0.8
119.08566	11.1
121.10136	20.0
121.21165	0.8
123.11685	3.8
125.09580	1.1
131.08556	9.5
133.10109	9.4
135.11664	9.8
145.10104	6.1
147.11681	5.9
147.93031	0.8
149.13257	4.9
155.01036	22.8
159.11696	1.7
161.13235	4.4
163.14827	3.1
169.63350	0.8
173.02046	8.5
173.13245	4.4
175.14767	0.9
184.07243	1.0
187.14838	1.7
217.19302	0.8
229.04820	1.2
231.27229	0.7
232.19359	0.9
234.49733	0.9
243.20978	3.8
247.05840	3.5
261.22064	8.6
317.24686	4.4
334.89191	0.8
335.25760	100.0
435.23602	1.1
471.25024	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	508.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25546	0.5
53.00303	0.8
53.03930	1.3
55.01863	3.0
55.05505	2.6
56.05036	0.6
57.03430	15.3
61.02921	1.0
67.05497	0.7
69.03409	7.6
70.06560	2.8
71.04974	78.4
72.08121	0.8
73.02898	2.9
74.73876	0.6
75.04453	4.2
79.05474	2.7
81.03397	2.7
81.07040	1.0
83.04964	9.4
84.04499	6.6
85.02888	100.0
85.06533	0.8
87.04458	2.8
88.59236	0.6
91.05446	3.1
93.07012	1.5
95.04952	1.0
95.08607	1.1
97.02875	5.0
97.06491	2.8
99.04439	3.3
103.03957	0.9
103.05446	2.9
105.07006	13.0
107.04938	4.2
107.08522	0.8
109.02888	2.7
109.06507	1.1
109.10145	0.7
111.04433	6.5
117.22109	0.6
119.04916	2.9
119.08584	2.6
120.66138	0.6
121.06470	3.7
123.04437	0.7
123.08037	0.8
127.03888	3.5
128.06171	0.8
129.05450	22.2
129.06955	1.5
129.09155	0.9
130.05022	5.9
130.60930	0.6
131.04924	1.6
133.06450	11.3
133.10191	0.9
135.08015	2.4
136.07516	0.7
137.02354	0.8
137.05952	21.2
138.06310	1.3
141.01813	3.0
145.04996	0.7
145.06487	2.9
147.04401	1.6
147.06502	10.7
147.07686	4.9
149.09621	1.1
151.07544	2.9
157.06508	0.7
161.05948	4.9
161.09604	1.4
162.06416	1.1
163.03893	0.7
163.07516	4.9
164.07968	1.0
164.09174	4.0
165.01804	40.2
165.09061	30.3
166.08617	3.7
174.06795	1.3
175.07555	2.9
177.09033	2.7
179.03444	0.8
179.10704	1.2
181.08534	0.8
183.02847	37.2
183.10139	0.8
189.09026	9.1
190.09419	0.8
191.03404	1.3
193.04912	3.6
195.10161	0.9
201.09212	0.9
205.08585	1.1
207.10141	7.4
208.03143	0.7
217.08652	0.9
231.10258	1.2
235.09602	2.6
249.11205	1.0
261.11188	1.2
275.12723	3.8
285.07516	31.8
285.10834	1.2
293.13901	2.6
309.11743	0.8
328.25204	0.7
329.70020	0.7
331.15317	1.4
332.15649	0.9
339.64432	0.7
346.25854	0.6
508.31491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59728	1.2
55.01855	5.7
55.05503	22.1
56.04036	1.3
56.12003	1.1
57.03428	15.6
57.07061	8.5
67.05493	39.7
69.07060	27.7
71.08619	2.5
73.02901	1.4
73.48999	1.4
73.70892	1.3
79.05477	19.6
81.06596	2.8
81.07042	50.1
83.08626	13.4
88.44048	1.3
91.05456	15.8
93.07021	13.6
95.04924	2.1
95.08592	42.7
97.06506	10.6
97.10133	11.8
104.02738	1.4
105.07024	8.6
107.08591	7.3
109.10143	13.9
110.44478	1.4
119.04823	1.5
119.08574	8.0
121.10091	6.8
123.11684	3.2
129.05473	7.8
133.10107	7.5
135.11676	2.5
139.42648	1.2
147.11678	5.6
150.30939	1.5
157.04333	1.2
161.13251	3.3
168.72211	1.5
171.10100	1.5
188.92465	5.5
226.93976	1.8
268.18835	1.4
273.25720	12.3
308.11459	1.5
334.31171	2.1
365.30466	100.0
439.75952	1.5
457.36703	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10247	0.3
54.81387	0.3
55.05493	0.7
55.71908	0.3
56.05023	0.3
60.08156	7.1
61.02894	0.3
67.05495	2.5
69.07037	0.6
69.73828	0.3
71.07361	3.6
79.05471	0.5
81.07045	2.1
86.09691	43.7
93.06985	0.4
95.08575	1.4
96.97971	0.3
98.97550	0.3
98.98463	3.2
100.93039	0.3
104.10725	3.5
105.06969	0.4
107.08578	0.4
124.99982	31.6
131.00131	0.4
143.01022	0.3
149.01143	0.5
153.00412	0.3
167.02162	0.4
171.01566	0.3
184.07306	100.0
359.16647	0.6
359.66711	0.3
360.16101	0.4
488.31375	0.6
506.32431	3.2
511.35703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01867	2.0
56.36328	0.9
56.96553	1.0
57.03428	12.9
61.02914	5.0
61.64767	1.0
62.43555	1.0
69.03414	63.8
70.06566	2.2
73.02916	1.8
75.04482	4.4
81.03402	27.3
83.04974	6.5
84.08112	1.3
85.02895	26.6
87.04436	1.4
91.05461	2.2
92.09233	1.9
97.02847	8.7
99.04430	40.0
99.05032	2.2
103.05428	1.3
107.04951	2.0
109.02862	1.8
111.04418	5.0
115.05460	5.3
117.07012	2.7
119.04924	5.3
120.53936	1.1
125.06007	1.6
127.03920	5.1
128.06215	2.0
129.05466	35.2
129.06953	19.9
131.04900	8.6
131.08545	1.5
137.02333	4.6
137.05951	100.0
143.04892	7.6
145.04930	2.7
145.06477	11.2
147.04393	25.3
149.05960	2.0
157.06473	22.2
159.08066	1.6
160.05170	17.2
161.05943	6.2
163.07489	10.2
164.04630	1.8
165.05424	1.9
169.06474	4.8
171.08031	1.5
172.05156	2.2
173.05981	4.9
174.06758	13.4
175.07510	70.7
177.05464	5.2
177.09113	6.1
181.04965	5.1
182.05653	2.3
185.05940	5.3
187.07492	16.8
188.08366	1.8
189.05547	1.9
189.09081	32.2
190.06277	14.3
191.06941	2.1
199.07538	2.3
201.09045	2.2
202.06206	1.3
203.06979	2.4
205.08566	15.9
211.09692	7.2
213.09111	6.6
217.08559	32.5
220.07378	1.9
223.09583	1.8
231.10007	1.4
235.09550	9.9
245.08101	1.5
249.11165	41.7
249.13605	2.5
261.11200	8.0
273.07550	1.8
279.12219	25.5
291.09012	2.3
291.12234	7.1
309.09863	3.7
309.13235	53.1
327.14273	5.3
416.22299	1.3
506.17154	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	506.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.3
56.05024	1.0
61.95280	0.4
67.05508	0.6
68.04984	0.5
69.03412	0.8
69.07063	0.9
70.06568	0.6
71.04990	1.0
72.08139	24.3
79.05471	1.0
81.03390	0.6
81.07049	1.3
83.06088	29.3
84.04488	22.1
84.08090	0.6
85.02884	2.4
86.09690	8.4
87.04452	0.8
91.05468	1.0
93.07033	2.8
95.04942	1.1
95.08582	1.3
96.08121	0.7
97.06497	0.8
99.04484	0.6
101.07120	8.0
103.05445	3.6
105.06988	3.7
107.08601	0.7
109.10148	0.6
110.09669	2.8
111.04400	0.6
112.03953	1.2
119.08564	3.0
120.08085	100.0
121.06470	0.7
121.10121	0.8
125.21320	0.5
127.03911	0.6
129.06560	5.9
131.04924	0.6
132.10143	2.5
133.06468	3.1
133.10120	1.2
135.04396	0.7
137.05963	4.4
137.09518	0.7
138.09122	26.5
147.04369	0.9
147.11713	2.6
155.11781	9.6
163.07454	0.9
165.09042	5.8
182.11234	1.2
182.12857	31.7
183.11272	33.2
200.13907	19.6
210.12383	5.9
211.10768	2.2
228.13385	9.0
243.19559	0.6
269.54642	0.6
279.16986	11.7
293.17938	0.6
330.17813	0.6
357.19321	2.1
358.17606	3.6
375.20224	3.4
488.21939	1.4
488.28506	11.4
505.22925	0.8
506.22458	2.6
506.29749	2.0
531.04437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01857	4.0
57.03419	1.8
61.02913	1.5
65.14340	0.8
69.03410	8.0
70.06572	3.9
71.04984	0.9
72.08146	1.1
72.30385	0.7
73.02881	1.7
73.56085	0.7
75.27460	0.9
79.05482	1.1
81.03394	3.7
84.08121	0.8
85.02374	0.8
85.02885	24.6
87.04434	1.8
91.03952	0.8
91.05463	23.8
93.07008	1.0
97.02859	6.6
99.04413	1.6
103.03936	1.8
103.05451	5.0
104.07099	1.0
105.07037	1.5
106.06544	3.4
107.04935	8.7
109.02862	2.1
110.07145	0.9
115.05401	1.2
117.07040	1.3
118.06509	9.6
119.04930	28.9
119.07296	100.0
119.08640	2.7
120.08064	4.6
121.06495	3.4
122.03633	1.4
122.06018	3.3
123.04384	1.0
127.03891	8.2
128.06149	1.5
129.07010	5.1
130.06517	2.1
131.04901	9.8
131.08537	1.9
132.05603	1.0
132.08101	0.9
134.05995	26.1
135.04492	1.1
135.06763	16.4
136.07559	36.6
137.05951	18.4
138.06319	2.1
145.04951	6.2
145.06499	1.8
146.05989	13.8
147.04387	94.2
147.06793	3.4
147.08003	3.2
148.05092	1.6
149.05960	2.0
150.05472	5.4
153.05421	6.8
157.06479	7.8
159.08032	1.0
160.05255	1.6
160.07587	4.8
161.05989	1.7
162.05441	4.2
163.06239	1.0
163.07497	6.5
165.05420	25.0
174.06741	1.3
175.03806	1.1
175.07526	20.9
176.06731	1.3
176.07895	5.4
177.05409	6.6
177.09084	1.1
181.04887	0.8
189.05344	1.0
189.09058	13.1
191.06950	1.3
195.06537	3.4
199.04013	0.8
203.06895	1.7
207.08090	1.9
209.09724	1.3
210.06656	1.1
217.08601	3.6
223.07571	1.0
225.09045	1.5
227.07024	4.3
229.42897	0.8
231.06561	1.5
235.07477	3.2
235.09627	11.7
237.11375	1.2
240.10205	3.5
245.08087	5.1
252.10181	18.2
253.10706	4.5
254.11687	20.2
256.09598	8.5
269.12790	41.0
270.11099	3.7
273.07556	5.7
279.08575	1.5
280.09723	3.9
286.10672	1.7
291.08569	4.5
298.10614	9.7
309.09692	1.9
309.18390	1.0
315.13336	60.4
327.14462	1.6
359.66098	1.0
385.02942	1.0
387.16794	1.3
388.15143	1.1
433.17484	1.6
461.17078	9.3
478.19632	17.6
489.16254	8.3
506.18707	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	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31102	0.1
52.39688	0.2
53.03942	0.2
54.81365	0.1
57.03416	0.8
61.02899	1.1
69.03421	2.3
69.51335	0.1
69.78024	0.1
70.52675	0.2
71.04955	0.2
73.02882	0.4
74.91615	0.2
78.38739	0.2
81.03386	1.1
85.02890	8.4
91.03925	0.2
91.05455	4.4
91.77884	0.2
92.09314	0.4
95.04906	0.2
95.42200	0.2
97.02873	2.7
99.04424	0.3
101.27011	0.2
109.02850	0.7
114.72618	0.2
119.04918	18.0
123.04398	0.3
127.03849	1.5
145.04926	1.6
147.04388	100.0
148.04736	0.9
151.80556	0.2
163.06000	0.2
165.05438	25.0
180.08623	0.3
196.16704	0.2
309.09641	0.9
344.13312	0.7
373.55838	0.2
386.08871	0.2
445.59457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95607	0.5
53.00289	0.7
53.53961	0.4
55.01857	1.4
55.05494	0.6
57.03431	19.0
59.04981	4.1
60.04509	1.3
61.02911	2.5
61.93959	0.6
63.49659	0.5
69.03416	65.5
70.06628	0.6
70.14402	0.6
71.01274	0.6
71.04985	0.8
73.02902	3.0
75.04456	3.6
81.03400	7.1
83.04951	2.8
85.02889	45.4
87.04450	31.6
87.21266	0.6
89.03909	3.6
91.03934	1.0
91.05455	0.6
92.09275	1.1
97.02866	40.1
99.04439	8.2
103.03957	0.6
103.33675	0.6
107.04942	0.9
109.02841	1.1
111.04432	0.7
113.02283	0.6
115.03912	30.8
115.05421	1.0
117.03349	14.3
117.06990	0.8
119.04913	1.2
122.03636	0.6
125.05994	0.9
127.03865	4.4
128.06165	1.0
128.48390	0.6
129.05484	7.1
129.06978	3.7
131.04909	2.7
133.04935	24.1
134.03581	0.9
135.04381	3.0
137.02286	1.3
137.04988	1.2
137.05952	20.7
139.03812	0.7
143.04955	0.9
145.02829	52.2
145.04930	4.1
145.06471	2.7
147.04382	12.0
149.05968	8.0
150.07600	5.3
153.05455	0.7
157.06456	5.5
157.38139	0.6
160.05142	3.4
163.03862	4.8
163.07465	2.5
165.05461	1.2
169.06400	0.7
174.06702	1.3
175.07495	11.4
177.05435	100.0
185.09656	0.6
187.07507	3.6
189.09062	4.5
190.06108	1.1
195.06480	36.6
203.07028	0.8
204.99745	0.6
205.08580	4.8
213.09056	0.6
217.08569	5.0
235.09669	1.1
249.11244	6.4
261.11130	1.1
279.12155	4.6
309.09842	1.2
309.13232	9.4
312.12881	1.0
323.44302	0.6
327.14105	1.2
359.41772	0.7
371.85367	0.7
371.96964	0.6
374.18503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.3
54.11868	1.2
55.59993	1.2
57.03428	22.9
59.04965	1.5
60.04502	2.3
61.02914	2.8
61.20160	1.1
64.33381	1.2
69.03414	62.5
70.06567	3.0
71.04984	1.7
72.08148	2.3
73.02902	1.7
75.04474	2.3
76.02200	1.4
77.02354	1.4
78.67050	1.2
81.03384	2.2
83.04956	1.3
84.04473	1.7
84.08146	14.0
85.02889	47.8
85.08445	1.3
87.04457	32.4
89.03871	2.0
91.03868	1.7
91.05422	1.4
97.02874	40.9
99.04417	3.0
103.03901	1.4
103.05444	2.1
105.07024	2.0
107.05009	1.2
109.02913	1.7
111.04430	2.1
115.03913	30.2
117.03352	14.5
121.06473	3.5
127.03873	3.0
131.04922	6.6
133.04948	22.9
135.04417	1.9
137.05975	8.6
142.55063	1.4
145.02827	47.1
145.04895	3.1
147.04369	2.7
149.05960	11.0
149.07338	1.9
150.07649	3.1
151.07587	1.8
153.05418	2.1
161.09425	1.6
163.03860	1.6
163.07555	3.4
175.07532	2.8
177.05431	100.0
190.09381	2.2
195.06480	34.7
199.07539	1.3
219.06512	1.9
221.82310	1.3
227.06958	1.8
229.08716	1.8
374.00571	1.5
454.68695	1.5
506.20007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33828	0.5
53.46399	0.5
67.05497	0.8
81.07048	1.1
85.02911	1.0
86.09696	0.8
91.05454	1.4
93.07038	0.8
94.06525	0.7
97.19051	0.6
105.07004	1.1
119.04990	0.6
122.06013	3.1
125.29700	0.6
134.18675	0.7
137.06001	4.0
151.03932	4.0
161.05919	0.7
185.14461	0.6
222.11414	0.7
249.13844	4.5
251.14243	0.8
262.13577	1.1
263.14142	1.3
264.15082	2.4
265.15808	1.2
266.13031	0.7
276.11478	2.0
276.14828	1.1
277.11984	2.1
278.16531	0.9
289.06183	0.7
290.12827	8.2
291.13611	37.1
306.15912	12.9
310.11795	8.6
311.12579	3.5
314.19421	0.7
320.17590	1.4
324.16916	5.3
338.11267	1.0
339.12039	1.5
350.14935	100.0
368.15964	22.7
383.46185	0.7
487.23392	10.9
505.24426	37.3
513.20929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81812	0.9
55.05512	1.4
56.41154	0.8
57.03413	1.0
62.33288	0.8
65.38412	0.7
67.05490	3.6
75.23180	0.8
79.05476	4.2
81.03397	1.5
81.07027	4.3
83.08617	1.0
85.02872	1.1
91.05459	2.0
93.07032	1.8
95.04921	1.2
95.08607	1.2
105.07034	1.8
107.08608	1.4
126.77571	0.7
134.79533	0.8
135.11723	2.0
147.11642	1.0
152.78163	0.9
176.87640	0.9
179.49791	1.0
179.65826	1.0
195.81450	0.8
221.11508	4.5
244.37743	1.0
246.47397	0.9
251.12628	3.5
274.88840	0.8
277.14096	4.7
288.05139	0.9
307.15097	3.5
315.30527	1.0
432.61349	0.9
478.96304	1.0
505.27661	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	504.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	12.3
55.57219	2.0
56.05019	2.4
56.36876	1.9
61.31266	2.0
67.05486	11.0
69.07028	4.3
71.04975	32.4
71.08620	18.6
79.45052	2.0
81.07034	5.6
90.84556	2.2
96.08100	3.8
98.09674	20.5
99.08067	11.8
108.08110	4.9
109.25256	2.4
122.06030	25.0
123.33168	2.5
136.07561	100.0
140.07065	20.1
178.15874	20.3
189.06468	2.4
196.17004	18.0
206.15356	18.7
210.19473	2.7
219.15300	2.0
219.82446	2.3
220.46542	2.2
224.16417	63.4
233.05724	2.1
357.63513	2.4
486.32846	3.8
486.39297	67.9
500.65738	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	504.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	33.7
55.05506	4.6
57.27180	4.1
59.80175	3.4
63.67537	3.6
67.05496	8.1
68.05025	5.7
69.07057	8.6
70.02943	5.7
70.06570	15.4
71.04999	34.1
71.11481	3.4
73.13918	3.6
79.05490	6.7
81.07030	8.5
92.64998	4.1
96.08124	4.2
97.06532	34.8
98.09660	17.1
108.08110	7.6
112.68918	3.9
114.37964	4.2
116.34348	4.2
120.08113	6.7
122.06034	29.1
122.43708	5.6
124.07584	66.4
130.34674	4.6
136.07578	89.1
140.07054	38.8
148.07539	4.7
176.14363	5.6
194.15332	6.0
204.13832	19.8
222.14888	97.8
305.67776	4.1
344.12244	3.8
355.78729	3.9
434.91785	4.3
486.39316	100.0
494.38269	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	504.308
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
52.51585	0.7
53.00293	1.1
53.03928	1.4
54.81292	0.7
55.01867	7.1
55.05506	19.4
57.03428	17.5
57.07059	4.7
67.05492	56.3
69.06678	0.9
69.07051	20.0
71.04966	1.0
71.08597	1.7
73.02897	1.4
79.05472	27.6
81.07037	52.7
83.04943	1.5
83.08602	7.8
84.85257	0.7
85.06505	1.4
87.79788	0.8
91.05462	18.9
92.09338	0.8
93.07020	32.1
95.04948	3.4
95.08578	40.1
97.06510	8.1
97.10152	1.7
98.06013	1.2
98.98452	1.5
103.35749	0.7
105.07013	9.9
107.08566	16.0
109.06523	0.9
109.10114	10.7
111.08076	0.7
117.06987	4.5
118.72887	0.7
119.08568	11.1
119.75516	0.8
121.10119	15.3
121.81392	0.8
123.08023	1.2
123.11699	4.5
124.01572	0.8
129.05449	9.5
131.08562	7.3
133.10097	6.3
135.11682	6.0
137.13277	1.2
145.10127	5.5
147.11685	1.4
149.13290	1.6
150.77354	0.8
159.11635	5.3
161.13203	0.9
173.13213	1.4
188.92529	1.0
189.16397	1.2
205.19504	3.2
244.47101	0.7
271.24039	5.6
314.27457	2.7
332.29526	3.2
345.17114	0.9
355.30347	0.9
363.28854	100.0
483.67841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17548	3.2
55.05508	25.8
57.03426	15.3
57.07070	14.4
62.06082	43.0
67.05490	67.7
69.07058	27.2
71.08614	5.1
79.05479	34.2
79.53032	3.7
81.07046	68.3
83.08601	7.7
84.91802	3.0
91.05480	26.9
93.07019	39.7
95.04988	3.7
95.08584	51.3
96.64584	3.6
97.06511	7.1
98.98443	46.7
103.06107	4.0
103.95423	3.4
105.07020	16.3
107.08580	19.9
109.10135	6.0
117.07005	4.8
119.08558	6.7
121.10108	24.0
123.08009	6.1
123.11755	4.4
123.85604	3.7
129.05444	8.0
131.08533	6.4
132.41606	3.8
133.10068	5.0
135.11647	8.2
145.73997	3.5
155.01027	5.0
158.81628	3.4
173.13202	4.9
188.92384	6.6
226.93938	6.8
260.73679	3.8
265.85434	4.1
271.24152	5.9
288.84836	4.0
289.25229	5.0
314.27676	14.3
332.29431	17.3
363.28839	100.0
436.98193	4.2
472.24570	4.0
486.29672	5.9
503.29614	4.7
504.30057	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.05502	12.5
57.03424	4.7
57.07045	4.6
66.94949	2.1
67.05494	23.5
69.07048	17.9
71.04990	2.5
71.08620	5.0
75.05840	2.0
78.97462	1.9
79.05483	11.6
81.07034	31.5
83.04978	2.9
83.08636	8.5
85.06507	2.9
91.05473	10.5
93.07022	15.0
95.08567	22.3
97.06535	4.1
98.98444	100.0
105.07019	15.4
107.08566	17.6
109.06508	22.9
109.10129	3.9
116.99458	2.7
117.06966	3.4
119.08553	20.8
121.10142	10.9
123.08047	49.7
123.11680	4.0
131.08540	5.2
133.10123	9.0
135.08018	35.0
135.11678	3.4
137.09604	3.8
140.54659	2.0
145.10135	3.6
147.11687	3.4
149.09549	4.3
149.13161	3.8
159.11736	2.8
161.09583	3.1
165.12680	2.3
173.02127	8.7
175.14815	3.2
177.12737	10.2
179.14270	69.4
179.15744	4.0
188.21368	2.1
191.14282	2.9
205.15868	11.6
233.19081	3.4
263.19937	2.6
275.19891	4.1
289.21429	2.8
299.89706	2.2
303.26770	10.2
331.26260	90.4
349.27332	11.1
405.05814	2.3
405.29898	49.0
423.30624	5.0
503.27582	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	503.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01866	18.0
55.05507	85.1
57.03418	8.6
61.02920	31.8
64.96735	1.4
67.05501	21.7
67.50858	1.6
69.03404	10.4
69.07049	18.8
71.04978	3.1
73.02898	9.4
73.62548	1.4
79.05478	23.8
81.03413	13.3
81.07043	20.7
83.04971	7.0
83.08117	3.5
83.08604	100.0
85.02887	18.8
86.29490	1.5
91.03934	11.9
91.05462	33.1
93.07024	34.8
95.04920	7.3
95.08606	17.6
97.02857	11.4
97.06517	7.3
105.06989	11.6
107.04926	2.2
107.08593	4.0
109.06512	2.7
109.10137	7.4
111.08062	23.0
117.06998	2.2
119.08563	49.6
121.10136	32.4
123.08059	14.9
126.74043	1.8
129.06964	4.0
129.09084	4.3
131.08554	3.6
133.10112	15.8
137.05943	9.5
137.09581	28.1
139.11182	13.7
145.10075	2.8
147.08038	9.4
147.11716	3.5
149.09578	3.5
151.11224	3.3
165.09055	3.4
165.12752	2.5
175.11151	2.0
177.05295	2.0
213.16371	3.3
231.17386	3.9
249.18434	36.6
267.19586	2.8
269.10580	1.9
272.13455	1.9
287.11505	2.1
323.22131	87.4
341.23050	20.9
365.23215	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
56.05266	0.5
57.30178	0.4
64.14063	0.4
69.03404	0.8
79.05443	0.5
81.07027	0.5
83.04975	0.6
90.10450	0.5
91.05452	0.8
92.08640	1.2
99.71072	0.5
100.11241	1.0
100.35417	0.5
105.07021	0.9
107.08561	0.9
110.08287	0.5
111.08089	0.4
121.10161	0.6
127.03897	0.6
131.08623	0.6
135.04393	0.9
137.05911	4.2
147.04381	0.7
187.07413	0.6
203.05238	0.8
219.08069	0.6
259.07779	0.9
341.19269	3.2
459.21979	0.8
471.21832	0.8
503.24551	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	503.2461
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
54.12705	0.3
55.05505	0.3
67.05479	0.5
69.03427	0.4
69.07059	0.5
70.04065	0.8
72.08137	0.3
81.07038	0.8
83.08589	0.4
85.02892	1.8
86.09647	0.4
88.37385	0.3
91.05491	0.4
100.11198	0.5
103.05442	0.4
105.07032	0.7
117.18573	0.4
119.08555	0.3
121.10013	0.3
137.05965	3.0
176.20195	0.4
203.05234	0.9
250.65089	0.4
259.07950	1.5
341.19275	2.7
467.09424	0.4
471.21997	2.2
503.24564	100.0
504.25162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.05502	12.5
57.03424	4.7
57.07045	4.6
66.94949	2.1
67.05494	23.5
69.07048	17.9
71.04990	2.5
71.08620	5.0
75.05840	2.0
78.97462	1.9
79.05483	11.6
81.07034	31.5
83.04978	2.9
83.08636	8.5
85.06507	2.9
91.05473	10.5
93.07022	15.0
95.08567	22.3
97.06535	4.1
98.98444	100.0
105.07019	15.4
107.08566	17.6
109.06508	22.9
109.10129	3.9
116.99458	2.7
117.06966	3.4
119.08553	20.8
121.10142	10.9
123.08047	49.7
123.11680	4.0
131.08540	5.2
133.10123	9.0
135.08018	35.0
135.11678	3.4
137.09604	3.8
140.54659	2.0
145.10135	3.6
147.11687	3.4
149.09549	4.3
149.13161	3.8
159.11736	2.8
161.09583	3.1
165.12680	2.3
173.02127	8.7
175.14815	3.2
177.12737	10.2
179.14270	69.4
179.15744	4.0
188.21368	2.1
191.14282	2.9
205.15868	11.6
233.19081	3.4
263.19937	2.6
275.19891	4.1
289.21429	2.8
299.89706	2.2
303.26770	10.2
331.26260	90.4
349.27332	11.1
405.05814	2.3
405.29898	49.0
423.30624	5.0
503.27582	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	503.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52998	0.6
53.03932	4.2
55.01859	1.4
55.05494	2.6
59.04973	0.6
67.05495	0.7
69.03418	6.4
71.04964	1.0
77.73003	0.6
79.05477	1.6
81.03403	6.3
81.07038	1.0
83.04954	6.0
85.02419	1.2
85.02895	22.0
88.65883	0.6
91.05456	8.1
93.07031	6.2
94.04160	2.7
95.04937	1.7
95.08582	0.9
97.02872	8.8
99.04448	14.8
103.03939	13.6
103.05420	0.8
105.07011	13.1
107.04938	0.9
107.08569	21.7
109.02857	12.7
109.06502	3.2
109.10175	1.0
115.05444	3.7
117.07034	1.1
119.04912	1.2
119.08553	3.9
121.06474	2.8
122.03626	8.2
125.97028	0.7
127.03898	24.9
128.06180	1.5
129.06949	1.2
131.04884	1.2
132.05676	2.9
133.06479	4.7
133.10104	18.6
133.11038	1.1
135.11681	23.8
135.26627	0.7
135.27655	0.8
137.05963	100.0
138.06306	1.0
145.04927	6.7
145.06508	1.2
147.08051	3.6
151.07562	1.0
151.11153	1.4
155.04897	1.0
159.08017	4.6
160.05171	2.7
161.05951	9.3
161.09622	13.1
163.06003	2.7
172.05174	1.5
175.07518	15.1
179.10641	39.8
187.06009	1.5
187.07524	8.8
190.07738	4.8
191.08563	12.2
197.11708	89.1
199.07538	4.3
202.07759	3.3
203.08528	4.8
208.09012	1.2
218.07253	3.7
219.08043	16.4
220.08734	3.3
231.07977	5.1
235.07526	0.8
236.08258	3.7
245.10182	1.5
247.07446	7.8
248.08241	4.3
251.10641	19.3
259.07520	3.9
260.08090	1.1
261.09061	1.0
263.10751	1.3
264.07724	1.2
268.10764	0.8
271.07925	1.3
276.07599	0.8
277.08640	1.0
279.10150	11.8
289.08600	0.7
291.10019	7.2
292.10794	0.8
296.10464	1.1
311.12729	24.0
323.12643	5.4
341.13553	0.9
359.16980	3.3
467.18912	4.1
485.19821	1.3
503.19623	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09943	0.5
53.03933	4.2
54.34945	0.6
55.01858	0.7
55.05502	1.4
57.03433	1.1
59.04990	1.5
61.02906	2.5
61.97167	0.6
67.05490	3.0
69.03407	8.5
69.07043	0.6
71.04977	2.9
73.02885	1.5
78.20873	0.6
79.05468	1.4
81.03394	11.7
81.07051	2.8
83.04966	4.6
84.08050	0.6
85.02889	36.1
91.05460	3.5
93.07011	9.3
95.04947	3.4
95.08598	1.1
97.02870	17.1
99.04436	31.1
103.03922	43.7
105.07019	8.0
107.04909	0.6
107.08571	32.0
109.02859	18.8
109.06458	2.3
109.10139	1.5
119.08546	4.1
121.06454	3.8
123.04424	1.3
127.03890	55.9
133.06441	0.8
133.10106	34.4
135.08012	1.2
135.10648	1.2
135.11665	28.1
137.05959	12.5
137.09573	4.0
145.04935	19.9
146.29222	0.7
151.11134	1.4
157.02281	0.6
161.05891	0.7
161.09581	16.5
163.05994	11.6
175.07510	0.9
179.10640	55.2
187.05971	1.1
190.07880	0.6
197.11700	100.0
205.07042	0.9
218.07111	0.7
219.07875	1.2
227.09340	0.7
251.10622	0.7
271.08057	3.7
289.09311	0.9
307.10110	2.7
311.12708	1.5
312.96707	0.7
467.19070	3.0
485.19513	3.4
503.19254	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01859	0.7
57.03405	0.5
61.02914	0.5
67.05486	0.4
67.56240	0.4
69.03425	3.3
71.04967	0.6
76.30947	0.4
79.05465	1.0
81.03387	1.7
81.07033	1.6
83.04957	1.0
83.85308	0.4
85.02893	6.5
91.05443	4.2
93.07021	0.8
94.04160	2.6
94.10379	0.4
95.04953	0.5
97.02862	2.5
99.04416	3.3
103.03953	4.1
103.05443	2.1
105.07017	9.4
107.04943	1.0
107.08569	4.7
108.54350	0.4
109.02854	2.6
109.06470	2.2
112.21687	0.5
114.29555	0.4
115.05416	2.9
117.07015	0.9
117.31635	0.6
119.04921	0.7
119.08565	2.9
121.06522	1.0
122.03614	7.3
127.03882	5.5
128.06186	1.8
129.06972	2.2
131.04901	0.9
131.14461	0.4
132.05676	2.6
133.06467	5.1
133.10074	4.4
135.11681	5.7
137.05959	100.0
140.45564	0.5
143.05974	0.6
144.05739	0.4
145.04933	2.3
145.06419	1.8
146.03691	0.7
147.04416	0.6
147.08049	2.8
148.91728	0.5
149.05991	0.8
151.07564	0.6
151.11197	0.7
155.04892	2.1
156.05646	0.7
157.06409	0.5
159.08017	3.4
160.05173	1.0
161.05942	9.7
161.09613	2.9
163.06075	0.6
163.07475	0.7
167.01505	0.4
172.05130	2.4
175.07509	15.4
175.08910	0.8
179.10648	8.6
184.05154	0.5
187.07520	9.9
189.06950	1.0
190.07735	3.8
191.08534	12.7
191.50385	0.5
197.11710	21.6
199.07512	5.3
202.07750	2.7
203.08499	6.5
205.06413	0.4
207.07907	0.6
208.08835	1.0
215.08698	0.4
218.07162	3.2
219.08031	17.1
220.08827	2.1
231.07986	5.2
235.07423	0.9
236.08356	2.7
245.09917	0.6
247.07516	5.7
248.08504	3.0
251.10620	20.4
253.08817	0.6
259.07526	3.6
260.08292	1.9
261.09219	0.5
263.07083	0.5
263.10663	3.0
264.07776	2.1
265.08548	0.9
276.07620	1.6
277.08569	0.8
279.10101	13.1
280.11014	0.8
281.08090	2.0
291.10138	5.9
292.10901	1.0
296.10428	2.9
311.12726	27.4
323.12735	6.7
341.13672	0.7
460.94263	0.5
467.18738	0.8
503.20343	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	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
57.03422	0.3
61.02910	0.3
61.59305	0.2
69.03416	2.0
70.07682	0.2
73.02844	0.2
79.05474	2.2
81.03379	1.0
81.07043	1.0
85.02894	5.4
91.05466	3.8
92.08697	0.4
94.04166	2.9
95.04939	0.4
96.15195	0.2
97.02899	1.6
103.05439	1.4
104.06307	0.3
105.03378	0.2
105.07010	8.0
107.04934	1.2
109.02838	0.5
109.06505	2.0
115.05424	4.5
116.06213	0.3
117.06984	1.5
118.04131	0.4
119.04911	0.3
119.08520	2.5
121.06477	1.0
122.03621	8.1
127.03920	0.8
128.06200	2.1
129.06982	3.1
131.04901	2.3
131.08536	0.4
132.05693	2.0
133.06470	5.3
134.48296	0.2
135.04402	0.2
137.05956	100.0
138.06354	0.3
141.06953	0.5
143.04860	0.4
143.05960	0.3
144.05698	1.2
145.06444	1.1
146.03625	0.9
147.04379	0.9
147.08035	3.6
149.05971	1.9
151.07436	0.3
155.04884	1.3
155.06079	0.4
156.05696	1.1
157.06461	0.4
159.08022	3.5
160.05164	1.9
161.05946	10.5
161.09578	0.2
163.07480	0.3
165.07059	0.4
167.06967	0.3
169.06470	0.3
171.07988	0.9
172.05179	2.3
175.07507	20.1
177.08980	0.4
179.06972	0.9
179.08498	0.4
184.05148	1.4
185.05922	0.4
187.07486	8.2
189.06903	1.5
189.09030	0.3
190.07761	3.7
191.08517	11.0
192.09225	0.3
194.07231	0.2
199.07504	7.0
202.07761	3.3
203.08524	6.3
205.06493	0.9
207.08032	0.9
208.08827	1.0
215.08548	0.3
217.08510	0.4
218.07277	2.8
219.08008	15.2
220.08789	2.5
221.06108	0.4
221.09627	0.4
230.07188	0.4
231.08002	7.0
232.08813	1.4
233.09584	0.5
235.07443	1.7
236.08270	2.7
237.09084	0.4
245.09357	0.3
246.06696	0.5
247.07495	6.3
248.08267	3.7
249.09090	1.0
250.09795	0.3
251.10612	18.9
253.08472	0.9
259.07480	3.0
260.08261	2.1
261.09158	1.6
263.07138	0.4
263.10629	2.6
264.07889	2.0
265.08521	1.1
267.10083	0.3
276.07779	1.8
277.08517	2.8
279.10089	11.6
280.10870	1.0
281.07999	1.7
291.10092	6.8
292.10797	1.8
293.07974	0.3
295.09747	0.4
295.13269	0.7
296.10373	1.6
308.10297	0.3
311.12711	22.6
323.12717	7.5
341.13699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45556	0.3
55.01857	0.6
55.05495	0.3
57.03418	0.7
61.02911	0.5
65.03952	0.3
66.04688	0.3
69.03407	2.3
69.07043	0.5
71.04981	0.5
73.02866	0.3
79.05484	2.1
81.03401	1.7
81.07048	1.3
85.02894	5.8
89.03885	0.3
91.05467	5.1
94.04165	2.7
95.04951	0.6
97.02860	2.0
99.04393	0.3
103.05438	1.6
104.06250	0.4
105.07018	6.9
107.04934	1.5
109.02854	0.7
109.06494	1.9
111.04479	0.4
115.05448	3.8
115.74614	0.3
117.06979	1.6
118.04152	0.6
119.04929	0.6
119.08543	2.8
121.06518	1.3
122.03630	7.6
127.03919	1.1
128.06206	1.7
129.06947	2.4
131.04897	1.7
131.08604	0.4
132.05707	2.1
133.06468	5.4
135.04396	0.3
137.05960	100.0
139.85237	0.3
144.05687	1.1
145.06473	1.6
146.03647	0.4
147.04362	0.7
147.08012	3.0
149.05968	1.7
151.07469	0.4
155.04877	1.7
155.06027	0.4
156.05688	0.4
159.08060	3.3
160.05176	1.4
161.05945	10.6
163.07478	0.7
165.06999	0.4
171.08015	0.5
172.05165	2.3
175.07518	16.3
177.05429	0.5
184.05177	1.3
187.07509	8.0
189.06976	0.6
190.07753	3.8
191.08531	10.2
192.00504	0.3
199.07513	5.4
202.07741	2.9
203.08543	4.1
205.06436	0.6
207.08089	0.5
208.08813	1.2
211.07591	0.3
215.08499	0.5
217.08484	0.4
218.07207	3.8
219.08026	14.2
220.08850	3.0
221.05969	0.5
221.09634	0.3
231.08044	5.4
232.08772	1.8
233.09525	0.4
235.07558	0.5
236.08292	2.4
237.09055	0.5
246.06696	0.5
247.07498	5.6
248.08310	3.6
249.09077	0.5
251.10631	17.8
253.08647	0.7
258.06680	0.3
259.07477	3.6
260.08298	1.8
261.09021	0.7
262.09940	0.3
263.07288	0.4
263.10611	2.4
264.07788	1.7
265.08551	0.7
275.07001	0.5
276.07715	1.8
277.08539	1.9
279.10110	10.0
280.10880	1.2
281.08060	1.7
291.10107	6.3
292.10898	1.5
293.08109	0.4
295.13275	0.3
296.10373	1.8
308.10306	0.5
311.12729	19.9
323.12735	7.5
341.13800	0.5
430.84549	0.4
443.13666	1.6
453.67001	0.4
482.84760	0.3
494.70288	0.3
503.20026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01855	2.5
56.10927	0.3
56.96555	0.7
57.03429	4.2
57.61698	0.3
61.02914	4.0
69.03416	21.1
70.06564	0.8
71.04973	5.6
73.02889	1.5
76.74769	0.3
81.03400	20.5
85.02892	18.3
86.91004	0.4
87.04438	0.7
91.05437	0.7
97.02867	7.4
98.97557	0.6
99.04433	6.7
104.52627	0.4
107.04958	0.8
109.02850	1.6
116.98621	0.6
117.05472	0.7
122.03606	0.7
127.03897	2.8
131.04816	0.4
133.07561	3.1
134.05899	0.4
135.08038	0.8
136.07489	0.5
137.05956	15.4
138.06291	7.2
139.06471	2.3
145.04926	1.4
147.04361	0.8
150.09999	0.4
160.07675	0.5
161.07085	8.1
162.37741	0.4
163.08641	6.3
178.07318	0.6
179.08101	1.9
189.06552	6.9
191.08099	6.6
206.06822	0.4
207.07625	100.0
213.04356	0.5
219.07628	0.9
221.09071	0.6
229.09608	0.4
231.07628	0.4
237.02766	0.4
241.07295	0.5
247.10583	0.4
249.08723	0.9
281.10461	1.8
287.10364	0.5
305.11188	1.8
323.12323	19.7
341.13376	54.5
365.05383	0.8
443.15884	0.7
503.17780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01864	0.4
55.05472	0.5
57.03420	0.7
61.02895	0.4
65.03934	0.6
67.05465	0.5
69.03404	2.3
70.06567	2.0
72.08129	0.5
79.05482	2.4
81.03388	1.1
81.07027	2.6
85.02901	6.6
85.18536	0.4
86.09649	0.5
91.05459	4.8
93.07015	0.7
94.04160	3.0
95.04941	0.5
95.08553	0.9
97.02887	1.9
103.05424	1.6
105.07012	8.3
107.04937	0.8
107.08569	0.6
109.02859	0.8
109.06514	2.1
115.05409	3.7
116.06240	0.6
117.07004	2.8
119.04922	1.8
119.08554	4.6
120.08073	0.7
121.06477	0.8
122.03616	8.8
127.03875	1.0
128.06215	1.1
129.06958	2.9
131.04926	2.3
131.08583	0.6
132.05688	2.8
133.06468	6.1
137.05957	100.0
138.06383	0.6
141.05435	0.6
141.07004	0.6
143.04919	0.8
144.05659	0.6
145.06453	1.0
146.03558	0.9
147.04379	1.8
147.08031	4.3
149.05978	1.0
149.09608	0.6
151.07529	0.8
155.04890	0.7
159.08052	3.4
160.05136	2.1
161.05957	11.6
163.07605	0.6
171.07983	0.8
172.05202	0.9
175.07504	22.6
177.05420	0.8
179.07027	0.7
184.05193	1.0
185.05917	0.8
187.07516	8.1
189.06932	0.6
190.07787	2.8
191.08528	10.9
199.07503	6.6
202.07770	3.0
203.08542	5.7
205.06425	1.0
207.08107	0.6
208.08774	0.5
218.07138	3.3
219.08028	14.6
220.08797	3.0
231.07930	7.1
233.09650	0.7
235.07443	1.0
236.08331	3.2
237.08977	0.5
247.07445	5.4
248.08221	2.8
249.09027	0.7
251.10596	17.1
253.08644	0.7
259.07535	4.0
260.08286	2.4
261.09045	0.8
262.09845	0.6
263.10590	3.4
264.07779	2.4
265.08588	1.0
276.07721	0.9
277.08575	2.3
279.10095	9.6
280.10901	0.6
281.08029	0.6
284.13016	0.9
291.10110	7.0
292.10944	2.1
296.10449	2.3
311.12701	20.8
323.12680	8.2
341.13782	0.9
485.19876	1.6
503.20657	5.8
503.31924	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.5
53.35390	1.2
55.01874	2.8
55.05499	12.2
55.05727	1.5
56.73141	1.2
57.03427	20.5
57.07070	39.1
58.20409	1.2
59.04987	2.8
66.48313	1.3
67.05495	98.2
69.07056	12.1
71.04971	6.1
71.08617	25.8
75.01885	1.3
77.03807	1.2
79.05475	1.6
81.07047	25.2
83.08605	15.6
85.06516	1.4
85.10160	14.8
85.29311	1.3
86.01952	1.5
89.06019	1.7
91.05474	6.3
93.07030	6.1
95.08585	22.2
97.06523	2.0
97.10135	2.2
107.08589	2.0
109.09388	3.4
109.10144	100.0
111.08080	2.1
119.08591	3.4
122.05997	1.9
124.07554	2.7
125.09642	1.7
136.07590	10.1
140.07065	1.6
155.10599	2.4
173.11740	24.2
181.67250	1.5
210.26945	1.7
222.14865	8.6
229.14331	65.6
241.08690	1.5
259.50464	1.6
313.27307	75.1
336.23236	1.6
373.29938	1.6
467.37231	43.2
484.37601	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	53.0
56.93584	3.5
57.03442	5.6
57.07075	41.1
63.99907	4.2
67.05493	43.5
68.99788	7.2
69.07059	98.0
71.04982	6.2
71.08614	38.9
79.05482	19.9
81.07043	83.2
83.08612	77.8
87.00823	44.7
91.05457	5.0
93.07034	40.1
94.01526	4.2
95.08578	48.8
97.06513	18.9
97.10160	47.6
107.08586	21.8
109.10131	63.6
111.08052	7.9
111.11703	19.1
121.10135	40.1
123.11712	18.8
125.09641	10.5
127.11192	30.3
135.11670	41.6
137.13240	8.4
139.11238	6.7
145.12271	5.8
149.13272	22.4
153.12724	7.8
160.60484	4.6
163.14809	10.8
177.16325	6.7
190.04390	4.7
219.21112	43.5
237.22096	100.0
255.23189	59.5
323.22171	49.1
341.23151	83.0
359.24133	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43097	1.8
53.02152	1.9
55.01862	20.2
55.05510	2.5
55.67961	1.7
67.05479	4.6
70.02940	2.6
70.06564	4.8
71.04975	27.8
71.08608	20.1
74.43147	1.8
79.05469	4.8
81.07040	3.7
86.06036	2.5
89.06004	1.9
93.07013	4.2
94.06532	2.7
95.08585	2.9
96.08106	8.1
98.09670	21.3
99.08084	13.9
108.08091	13.3
109.10127	1.9
110.41626	1.9
120.08041	3.5
122.06011	22.8
124.07587	2.1
126.12773	2.1
136.07552	100.0
140.07005	14.4
178.15868	21.7
196.16908	17.0
206.15268	14.9
224.16432	67.5
275.27185	2.3
280.12253	2.1
484.37756	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85925	1.4
55.01630	1.9
55.01868	39.2
55.05501	2.7
55.56704	1.3
56.79953	1.4
58.00520	1.4
60.72910	1.6
66.23113	1.5
67.05505	19.5
68.05009	3.6
68.64178	1.5
69.07063	15.6
69.35667	1.5
69.65446	1.5
70.02943	7.9
70.06580	13.3
71.04975	33.2
76.92343	1.4
79.05490	11.9
80.04977	2.1
81.07040	17.4
91.05479	2.4
93.06998	2.2
94.06532	3.0
95.08589	7.6
96.08114	6.8
97.06525	33.7
98.09674	21.4
106.06544	8.3
107.08553	3.1
108.08092	8.1
109.10139	3.8
112.07561	2.4
119.08537	2.4
120.08089	6.7
122.06005	29.9
124.07584	62.8
132.77063	1.8
136.07564	92.9
136.11241	1.9
140.07047	37.9
148.07498	6.0
148.11131	2.3
152.07108	3.6
153.07884	3.0
174.27435	1.7
176.14311	8.8
194.15436	8.1
204.13821	21.6
222.14853	95.7
313.27200	2.2
412.08420	2.1
484.31024	3.5
484.37793	100.0
491.69925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.1
55.05498	7.5
56.40739	0.6
57.03429	13.5
57.07066	40.8
63.18588	0.6
64.51171	0.7
67.05486	10.1
69.07051	11.3
71.08613	28.4
79.05466	1.4
81.07029	12.5
83.08602	10.7
83.36195	0.6
85.02945	0.7
85.10158	13.5
89.06019	3.2
93.07031	1.9
95.08583	16.0
97.10120	5.4
98.98450	6.7
103.07586	1.2
104.10723	1.3
105.06999	1.3
107.08531	1.1
108.50047	0.9
109.10136	8.0
120.96616	5.5
121.10134	1.2
123.11684	3.0
130.42964	0.7
133.06491	1.2
135.08080	1.0
135.11609	1.7
151.07687	0.9
154.94254	0.8
164.00809	1.7
177.09119	1.3
178.09369	0.7
211.32285	0.8
239.23582	1.0
257.24704	3.3
264.89374	0.9
313.27295	100.0
339.28735	3.1
449.26169	1.9
459.24664	5.2
473.37918	0.9
502.28995	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	502.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01873	5.5
55.05506	16.9
57.03420	3.9
67.05499	34.0
67.47768	0.7
68.99787	3.3
69.03436	0.9
69.07059	16.8
71.04981	3.7
72.10264	0.7
79.05481	33.5
80.41700	0.7
81.03398	7.7
81.07045	100.0
83.04996	5.6
83.08607	9.5
85.06528	3.4
91.05474	29.2
93.07030	26.8
95.04947	11.5
95.08590	27.3
97.06522	6.6
97.10131	1.6
99.08074	1.7
100.74132	0.8
105.07018	32.7
107.04958	12.3
107.08592	19.7
109.06508	29.1
109.10154	10.0
111.00781	4.6
111.04366	1.0
111.08070	3.5
114.56134	0.7
115.05420	0.9
117.07020	8.4
119.08560	28.2
119.63889	0.8
121.05301	0.7
121.06483	6.6
121.10124	14.7
123.07270	0.9
123.08047	7.4
123.11670	6.2
129.01842	9.9
129.06995	3.7
129.82355	0.7
131.08546	12.8
133.06567	1.0
133.10110	19.5
135.08066	7.8
135.11682	5.4
137.06000	1.0
137.09602	6.1
139.00270	2.8
139.03867	1.0
141.06908	1.4
143.08540	3.3
145.10089	11.4
147.11684	22.1
149.09627	10.1
149.13280	4.2
151.11180	3.6
157.01225	1.2
157.10097	5.7
159.11665	7.2
161.09589	1.8
161.13232	4.8
163.11174	8.4
165.12697	8.1
168.09271	1.1
169.10072	1.7
171.11656	3.4
173.09657	1.2
173.11836	0.9
173.13268	5.1
175.11110	5.8
177.12727	1.6
183.11710	1.2
185.13342	1.4
193.12219	4.6
201.12775	1.2
203.14360	1.1
215.17984	0.9
229.19472	1.8
239.17960	4.2
247.20583	4.3
257.18945	8.9
275.20029	75.2
293.21069	47.3
403.21024	3.9
421.22195	2.0
443.13446	1.2
449.21417	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01864	8.4
55.05503	18.2
57.03168	1.3
57.03429	23.0
64.32789	0.8
67.05145	2.0
67.05492	46.5
68.95618	0.8
69.03417	6.9
69.07059	9.8
69.19140	0.8
70.69341	0.8
71.04980	7.4
76.90038	0.9
79.05474	28.6
81.03400	100.0
81.06594	1.8
81.07036	26.3
83.04967	17.0
83.08610	13.6
84.51348	0.8
85.02886	39.4
91.05462	98.8
93.07021	42.2
93.07598	0.9
95.04953	22.9
95.08585	23.9
97.02872	4.3
97.06503	3.5
97.10129	2.0
98.50558	0.8
105.07010	26.0
107.04960	6.6
107.08591	5.0
109.06493	5.4
109.10139	14.9
111.04420	1.4
111.08067	8.5
115.05428	2.1
117.06980	6.0
119.08559	89.5
121.06499	7.7
121.10101	8.2
121.10850	0.9
123.08047	5.8
129.06955	11.8
131.08551	12.0
131.40103	0.9
133.06430	1.7
133.10100	11.1
135.08012	1.1
137.05960	2.0
137.09604	35.5
142.07780	2.2
146.77223	0.9
147.08060	11.9
147.11671	9.4
149.09590	5.6
150.85951	0.8
151.11382	0.9
157.10077	9.1
165.09073	23.3
165.12657	1.1
175.11105	8.8
180.74959	0.9
181.09956	0.9
183.10123	10.8
193.12210	23.8
193.49612	0.9
211.13254	34.0
239.10434	1.3
239.12712	14.0
239.64592	0.9
255.09985	0.9
257.13809	40.7
267.15915	8.5
285.16891	34.0
357.20630	1.1
431.23987	9.4
449.25262	12.7
467.26306	29.0
500.35031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12819	2.1
53.00287	2.5
54.81656	2.6
54.82006	2.5
55.01878	3.0
55.05492	16.7
57.03428	5.4
67.05489	35.4
68.41248	2.4
69.03423	3.0
69.07064	23.5
69.07349	2.9
71.04961	3.2
79.05478	27.6
81.07038	37.2
83.04967	11.9
83.08608	2.8
85.02860	2.9
91.05451	28.0
93.07021	32.1
95.04961	20.5
95.08586	30.2
97.02876	2.7
97.06497	6.3
105.07014	39.1
107.04955	16.2
107.08572	15.6
109.06486	5.5
109.10139	6.7
111.08047	3.9
117.07006	13.7
119.08546	25.2
121.06523	6.6
121.10114	25.8
123.08011	2.8
131.08551	34.6
133.06401	2.9
133.10097	19.3
135.07993	7.1
135.11682	14.7
137.05940	4.7
137.09615	3.5
143.08545	4.9
145.10085	40.3
147.08058	4.2
147.11705	3.8
149.09590	27.5
150.26488	3.2
151.11119	5.2
159.11642	18.7
161.09604	5.7
161.13165	3.7
161.52118	2.8
163.11162	32.6
169.10110	3.7
173.09552	4.1
177.05362	3.4
179.10616	6.3
185.13019	3.2
187.11165	5.9
187.14795	12.6
191.10551	6.1
201.16345	7.0
211.14827	2.9
219.17488	19.9
229.15755	11.7
238.31024	2.9
247.16855	23.9
265.17972	11.0
321.20605	42.6
339.21613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71084	0.9
53.76619	0.9
54.81315	1.0
67.05497	1.6
67.21716	1.0
69.07069	1.3
81.07047	1.6
93.07063	1.5
105.07018	1.5
107.33869	1.1
114.36299	1.4
136.19527	1.1
281.43393	1.2
336.89578	1.5
501.28198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30495	2.4
55.73834	2.7
57.07056	5.1
61.82850	2.7
67.05479	6.0
69.07033	3.5
71.08622	4.1
79.05429	3.7
81.07032	6.9
83.61306	2.9
87.04491	3.5
89.06001	4.5
92.09264	3.0
93.07027	5.3
95.08594	5.1
126.30193	3.0
149.31104	3.0
174.57751	3.7
195.09906	6.7
488.58264	3.0
501.31689	100.0
513.19275	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	502.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58102	1.8
53.03938	6.9
54.51650	1.6
55.01860	9.0
55.05268	2.1
55.05508	38.7
57.03423	7.4
67.05493	49.3
69.03407	2.4
69.07050	20.8
71.04973	3.8
71.81078	1.8
75.37948	1.8
79.05481	47.3
81.03384	17.9
81.07037	48.7
83.04970	13.8
83.08599	34.0
85.02871	3.7
85.06538	3.2
90.01317	1.9
91.05466	44.7
93.07025	51.0
95.04945	66.8
95.08582	30.0
97.06493	11.4
97.10154	11.5
105.07015	46.8
107.04927	20.7
107.08565	31.7
109.06481	4.3
109.10132	15.1
109.94667	1.9
111.04413	2.7
111.08056	6.9
117.06992	20.0
119.08552	40.6
121.06495	10.6
121.10120	32.1
123.08073	4.4
125.09609	10.5
129.01834	10.2
129.06982	9.6
131.04948	2.5
131.08543	25.2
133.10112	35.0
133.51347	1.7
135.08032	7.9
135.11705	16.9
137.09586	4.7
139.00227	4.6
143.08551	9.2
145.06523	3.5
145.10107	36.3
147.08014	8.4
147.11691	16.4
149.09601	35.3
151.11172	3.1
153.12708	2.1
155.08556	4.4
157.01297	3.0
157.10138	4.6
159.11676	15.7
161.09520	3.0
161.13289	2.3
163.11153	40.5
165.12753	7.8
169.10118	2.1
171.11678	2.8
173.09624	4.6
173.13208	4.2
183.11681	3.5
187.11151	4.3
189.11209	3.8
191.10684	2.1
213.16502	2.8
213.94763	2.2
223.13237	28.2
227.12640	2.2
229.19487	3.2
239.17914	8.7
241.14308	4.6
257.18896	10.6
275.20010	100.0
293.21057	70.4
431.23969	3.7
449.25171	8.9
467.26395	17.1
484.36990	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.9
53.00301	1.1
53.03940	0.9
55.01864	4.8
55.05500	19.3
57.03418	4.3
59.14228	0.9
67.05493	38.0
69.03413	2.3
69.07056	11.8
71.04987	2.1
79.05472	38.7
81.03410	9.4
81.03823	1.0
81.07039	100.0
83.04967	6.3
83.08603	11.8
85.02901	1.4
85.06548	2.1
91.05460	32.3
93.07026	32.5
95.04949	38.2
95.05524	2.0
95.08585	27.9
97.06494	5.3
97.10134	6.3
105.07014	33.4
107.04938	12.8
107.08578	22.2
109.06503	18.4
109.10124	12.7
111.08064	4.0
117.07011	7.3
119.08554	27.3
121.06456	7.6
121.10107	16.3
123.08041	9.4
123.11687	5.2
125.09637	2.4
129.01825	2.3
129.06972	2.4
131.08562	13.8
133.10118	18.9
135.08038	9.3
135.11668	8.4
137.09599	5.7
139.00262	1.1
143.08571	1.8
145.10077	13.2
147.07968	1.8
147.11671	22.0
149.09605	14.3
149.13289	1.6
151.11177	1.5
155.08548	1.2
157.10132	2.7
159.11699	7.1
161.09586	1.6
161.13258	1.6
163.11183	11.0
165.12727	14.0
171.11624	1.3
173.09651	1.6
173.13246	5.3
173.17235	1.2
175.11165	2.2
177.12749	1.5
183.11652	1.8
185.13266	1.4
189.11261	2.2
191.14273	1.6
193.12250	1.8
201.12791	1.3
223.13202	14.6
229.19522	1.4
239.17944	2.3
247.20554	1.9
257.18970	5.7
275.20004	75.3
281.14105	1.2
293.21036	36.8
421.21970	3.7
436.44543	1.3
449.21494	31.7
453.67719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.8
53.03938	1.2
55.01862	5.1
55.05508	8.9
57.03427	10.6
57.07067	0.8
61.02898	4.3
65.03944	0.7
66.63101	0.7
67.05487	22.6
67.40255	0.7
67.72784	0.9
69.03420	1.9
69.07052	18.6
71.04963	1.3
73.02888	1.0
79.05478	23.0
81.03388	3.2
81.07039	26.6
83.04971	9.0
83.08588	3.2
85.02882	3.4
85.06509	1.2
91.03950	1.0
91.05462	27.7
93.07021	32.5
95.04944	9.6
95.08585	19.0
95.77650	0.8
97.02873	1.1
97.06516	5.9
99.08051	1.1
105.07011	23.9
107.04934	15.0
107.08583	22.3
109.02904	1.1
109.06490	8.1
109.10127	9.3
111.08045	1.2
113.06001	1.0
117.05511	1.6
117.06995	13.4
119.08554	21.2
121.06500	12.3
121.10120	21.1
123.08064	6.2
123.11690	1.3
129.06996	5.3
131.08543	30.0
133.06474	1.7
133.10114	16.8
135.08031	10.2
135.11679	16.6
137.09604	3.9
141.05428	3.4
141.06969	1.2
143.08513	6.8
145.06487	4.1
145.10110	37.6
147.08078	6.2
147.11696	5.9
149.05988	1.0
149.09598	25.3
149.13213	1.7
151.11171	12.7
155.08530	3.7
157.10133	1.6
159.08009	1.5
159.11668	10.9
161.09540	6.0
161.13174	2.0
163.11153	37.9
169.10086	5.9
171.11694	0.9
173.09599	7.2
173.13254	3.7
175.11176	3.1
175.14786	1.1
177.09171	1.1
177.12810	2.9
177.16301	1.8
179.10635	9.6
185.13234	4.5
187.11153	8.1
187.14775	7.8
189.12697	1.0
191.10675	7.2
191.17970	1.2
201.16377	10.7
203.14250	2.9
205.12210	3.3
209.11731	1.6
211.14726	1.9
219.17415	16.6
219.43262	0.8
229.15855	14.6
247.16879	23.8
265.17941	19.6
321.20541	100.0
339.21597	59.1
339.25754	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31623	2.4
55.01869	35.4
55.05494	3.5
57.07058	3.7
57.68268	2.9
67.05476	16.6
68.05028	4.8
69.07044	13.1
70.02945	3.5
70.06567	12.9
71.04981	31.8
71.08604	3.2
79.05460	16.4
81.07030	16.2
81.92754	2.8
91.05467	5.7
93.07042	13.4
95.08583	6.0
96.08118	3.9
97.06537	26.9
98.09682	18.9
106.06512	4.0
107.08584	5.8
108.08118	4.7
109.10136	3.2
120.08044	4.1
121.10115	3.5
122.06036	28.3
124.07567	45.1
133.10135	4.2
136.07552	86.1
138.16704	2.8
140.07060	32.3
144.72858	3.6
148.07628	4.7
148.11237	4.0
148.55122	3.3
153.07794	3.6
176.14397	3.5
178.15869	5.3
179.50394	3.4
194.15427	6.6
204.13817	17.5
222.14896	58.2
224.16423	7.6
226.05318	3.0
282.92850	3.6
482.36215	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	500.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39937	11.6
55.91609	11.9
56.42070	10.6
61.82481	12.0
62.60148	11.7
67.17070	13.0
69.07057	17.3
81.07045	19.5
84.62446	14.4
92.09319	26.9
110.35036	12.1
129.29045	14.6
134.73590	14.3
162.20747	16.3
162.48622	18.1
195.95219	15.7
231.42686	15.7
500.33771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09010	0.4
50.23700	0.5
53.03949	0.5
55.05498	0.5
67.05479	0.8
69.03414	14.5
69.07065	0.9
70.06570	0.7
75.76440	0.5
79.05462	1.3
81.03388	0.8
81.07029	2.5
85.02877	1.4
89.03914	4.0
91.05447	1.2
92.23839	0.5
93.07005	0.9
95.08604	0.5
97.02858	2.5
97.06504	3.5
98.97544	0.6
99.04426	0.9
105.07007	2.5
107.08542	0.8
109.02860	1.1
117.03361	16.3
119.08535	1.0
121.06492	0.8
127.03878	5.2
129.06911	0.7
131.04890	0.9
133.10059	0.9
135.04362	1.3
137.05960	3.3
138.06291	0.8
145.02824	63.0
147.04317	0.9
149.05943	7.2
163.03842	2.9
163.73518	0.6
164.07065	0.8
173.02286	0.6
175.11095	0.7
177.05428	100.0
178.05733	0.6
195.06438	0.9
199.07550	1.2
215.07014	0.9
224.35991	0.5
259.09604	1.2
261.07593	0.7
321.09616	5.1
339.10641	9.8
349.13632	0.8
501.23087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	36.7
55.05501	2.2
62.85307	1.2
64.77998	1.4
67.05483	8.9
68.04995	6.1
69.07057	17.1
70.02929	5.9
70.06580	15.4
71.04977	35.8
73.72086	1.5
79.05464	10.7
80.04996	2.1
81.07036	12.9
81.46893	1.4
82.06535	2.1
84.08099	1.7
91.05444	3.7
93.07011	7.9
94.06528	3.0
95.08575	2.4
96.08105	3.6
97.06499	28.2
98.09662	18.0
105.06993	2.5
106.06529	9.8
107.08578	3.2
108.08102	9.8
109.10168	1.6
120.08073	3.7
121.10103	1.9
122.06013	27.5
123.08026	1.8
124.06677	2.9
124.07562	60.5
134.09579	1.8
136.07553	90.1
140.07039	35.9
148.07521	5.5
149.11853	1.7
152.06999	3.0
153.07892	3.5
154.04515	1.7
176.14317	9.6
189.35449	1.6
194.15364	7.5
204.13770	15.6
222.14838	100.0
238.69281	1.7
240.15837	2.4
264.46725	1.7
415.34534	1.6
482.36160	83.6
508.39987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.7
53.03941	0.4
55.05504	31.3
57.03427	13.8
57.07066	17.0
65.88951	0.5
67.05489	5.8
69.07054	38.3
71.08247	0.5
71.08615	8.7
77.89357	0.4
78.79163	0.4
79.05459	3.5
81.07035	7.3
83.04977	0.7
83.08604	31.7
83.22065	0.4
85.10168	4.0
91.05467	0.6
93.07021	4.8
95.04964	0.6
95.08578	5.8
97.06508	3.5
97.10146	20.3
98.98447	8.9
101.05972	0.4
107.08572	2.7
109.10178	3.3
110.42944	0.3
111.08036	1.9
111.11705	4.9
119.08569	0.4
120.96631	0.7
121.10120	4.6
123.11647	1.0
125.09634	0.9
125.13238	1.7
135.11671	2.9
135.20190	0.4
137.13271	0.5
139.11131	0.7
142.91504	0.4
149.13211	0.9
155.01004	3.3
156.12456	0.5
163.14795	0.5
168.49489	0.4
173.02072	0.9
182.31491	0.4
192.09515	0.4
195.00340	0.5
219.21082	0.6
226.78885	0.4
311.25739	100.0
312.25970	0.8
315.41202	0.5
319.80316	0.4
367.97198	0.5
424.24704	0.5
447.24756	2.7
457.22983	3.2
500.27359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16508	1.7
52.75397	1.7
53.03932	8.1
54.62432	1.7
55.01863	9.7
55.05504	40.7
57.03429	51.9
57.07064	2.4
59.65886	1.8
67.05492	93.9
68.21777	1.7
68.77660	1.8
68.87253	1.7
69.03416	4.5
69.07059	30.3
71.01347	4.1
71.04977	12.3
79.05001	2.2
79.05472	83.4
81.03401	100.0
81.07042	68.5
81.07421	1.7
83.04965	38.0
83.08605	35.4
85.02891	29.5
85.06514	2.3
91.05460	77.6
93.07021	89.8
95.04951	46.8
95.08566	23.2
97.02895	3.0
97.06510	20.4
97.10152	18.8
105.07015	44.7
107.04948	13.4
107.08575	57.3
109.06519	9.4
109.10139	13.4
111.08031	15.4
113.06016	2.5
115.05412	2.4
117.07029	9.0
119.08546	39.4
121.06477	3.4
121.10098	23.4
123.08051	3.1
123.11728	2.6
125.09594	2.7
129.06987	14.3
131.08601	14.7
133.06499	4.2
133.10121	21.3
135.11662	59.8
137.09645	3.3
142.07758	2.7
145.10121	12.7
147.08028	3.4
147.11649	20.1
149.09641	10.7
156.10867	2.0
157.10117	19.0
163.11165	13.1
175.11218	15.5
181.12207	13.2
193.12234	46.9
194.22400	2.5
210.18005	2.4
211.13264	59.8
255.15839	84.3
267.16037	16.7
285.16879	39.3
327.83795	2.2
422.84409	2.9
447.27390	47.9
465.28381	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	12.8
55.05499	17.1
55.56001	2.5
57.03437	29.7
59.04997	2.8
64.92759	2.4
66.58889	2.5
67.05492	28.4
69.03428	4.0
69.07048	5.7
79.05483	60.8
79.05917	4.9
81.03395	63.9
81.07029	23.1
83.01328	12.2
83.04972	15.8
83.08611	19.3
85.02895	17.8
91.05463	100.0
93.07026	37.4
95.04950	19.4
95.08596	13.1
105.07024	31.0
107.04952	20.4
107.08578	31.0
107.12479	2.5
109.06504	6.2
111.08012	5.2
115.05446	5.6
117.06988	52.6
119.08562	21.9
121.06513	4.1
121.10159	3.2
129.06982	6.5
131.08589	6.9
133.10136	12.6
135.08023	50.1
137.05988	11.0
137.09631	4.2
140.24663	2.8
147.08072	3.5
147.11636	4.2
149.09639	3.9
157.10118	12.3
163.07500	5.8
163.11172	4.4
175.11169	6.5
193.12285	25.1
211.13245	31.6
255.12248	63.6
257.13937	4.2
285.16983	31.1
292.15170	3.1
342.12662	3.8
362.30429	3.3
447.23465	5.7
465.24643	56.3
500.21841	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	500.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	12.8
55.05499	17.1
55.56001	2.5
57.03437	29.7
59.04997	2.8
64.92759	2.4
66.58889	2.5
67.05492	28.4
69.03428	4.0
69.07048	5.7
79.05483	60.8
79.05917	4.9
81.03395	63.9
81.07029	23.1
83.01328	12.2
83.04972	15.8
83.08611	19.3
85.02895	17.8
91.05463	100.0
93.07026	37.4
95.04950	19.4
95.08596	13.1
105.07024	31.0
107.04952	20.4
107.08578	31.0
107.12479	2.5
109.06504	6.2
111.08012	5.2
115.05446	5.6
117.06988	52.6
119.08562	21.9
121.06513	4.1
121.10159	3.2
129.06982	6.5
131.08589	6.9
133.10136	12.6
135.08023	50.1
137.05988	11.0
137.09631	4.2
140.24663	2.8
147.08072	3.5
147.11636	4.2
149.09639	3.9
157.10118	12.3
163.07500	5.8
163.11172	4.4
175.11169	6.5
193.12285	25.1
211.13245	31.6
255.12248	63.6
257.13937	4.2
285.16983	31.1
292.15170	3.1
342.12662	3.8
362.30429	3.3
447.23465	5.7
465.24643	56.3
500.21841	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	500.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01861	1.3
55.05500	4.7
57.03430	6.0
61.02906	3.4
62.42061	0.5
67.05483	8.8
67.05806	0.6
69.03416	3.5
69.07056	2.1
69.65048	0.5
70.06573	1.3
71.04973	1.2
72.08136	0.8
73.97626	0.5
75.04469	0.6
76.39771	0.5
79.05472	10.0
81.03400	100.0
81.07043	9.5
83.04962	4.0
83.08598	21.2
84.08118	0.6
85.02895	5.7
85.06535	0.8
86.58643	0.5
91.03948	0.9
91.05449	13.9
93.07012	7.3
95.04948	29.3
95.08584	3.4
97.02855	4.6
97.06500	0.9
97.10162	1.3
99.04427	0.6
99.08011	0.6
105.07008	11.0
107.04951	7.9
107.08598	3.7
109.06496	2.9
109.10128	1.8
111.04430	2.8
111.08069	11.2
115.05441	2.0
117.07002	0.9
119.04929	1.1
119.08563	9.6
121.06482	1.0
121.10123	6.4
123.04401	1.3
123.08047	1.1
125.09599	1.0
125.88027	0.5
127.03899	0.6
129.06981	9.0
131.04900	0.7
131.08537	8.3
133.06453	3.4
133.10086	4.7
137.05980	3.0
137.09627	1.0
138.09140	0.6
142.07738	1.1
145.06523	0.6
145.10141	2.2
147.04376	2.0
147.08051	3.4
147.11679	9.5
149.09616	6.0
153.05490	1.0
154.26810	0.5
157.10086	13.1
165.12749	1.2
175.11156	13.5
177.05449	0.6
193.12206	56.7
211.13248	4.7
235.13313	1.0
249.14754	0.7
259.09558	0.5
267.15872	30.0
271.09549	0.6
285.16916	56.2
286.17224	0.5
305.14078	0.5
309.16818	5.6
363.17917	1.2
369.51273	0.5
393.18954	0.7
396.99228	0.7
429.21118	4.5
447.22150	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	500.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11292	0.1
61.02906	0.2
62.88573	0.1
69.03402	0.2
79.05473	0.2
81.07000	0.1
85.02882	0.8
91.05460	0.2
94.04189	1.1
95.04933	0.1
97.02852	0.2
107.04931	0.2
111.28661	0.1
119.04874	0.1
121.06493	0.6
122.03641	3.9
137.05962	100.0
138.06310	0.6
147.04372	0.3
149.05972	1.2
151.07527	0.7
152.06203	0.2
153.06972	0.9
161.05959	0.2
170.19775	0.1
179.06970	0.6
180.08690	0.1
181.06439	1.8
182.07248	0.1
195.08130	0.1
206.86160	0.1
209.05908	0.2
213.09059	1.6
214.37379	0.1
225.09091	0.2
241.08578	1.3
253.08588	0.6
273.11169	3.8
273.14056	0.2
285.11295	1.0
303.12305	1.3
325.77817	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	500.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70662	0.4
53.03920	0.5
55.05486	0.9
57.03423	1.1
66.97692	0.5
67.05487	3.1
67.82027	0.5
69.03410	0.8
69.07053	1.1
70.06548	0.5
79.05470	7.5
80.05027	0.4
81.07040	5.7
83.04968	0.7
83.08606	0.6
85.02881	2.9
86.09673	0.5
88.40366	0.4
90.86266	0.4
91.05470	6.0
91.15998	0.4
93.07010	1.0
94.06580	0.5
95.04932	1.0
97.02944	0.6
97.06516	15.1
104.04941	0.5
105.07047	0.7
107.08591	0.5
108.08109	0.5
109.10133	2.0
116.04986	0.5
117.05724	2.0
118.06510	7.4
119.08495	0.6
124.07576	2.0
125.05972	27.3
126.09169	1.0
128.23531	0.5
133.10027	0.5
134.06006	2.8
136.07567	12.7
137.05957	3.2
140.07028	6.1
142.08621	38.9
146.05995	4.9
152.07045	3.7
160.04004	0.6
162.05463	18.5
163.03914	2.1
164.07039	100.0
165.07234	0.5
166.04964	1.1
173.02332	1.0
173.11710	0.9
178.04976	20.9
180.06538	11.6
182.08095	40.1
196.05989	1.5
215.06905	1.7
229.14365	2.1
231.15004	0.8
239.11729	0.6
242.10313	0.5
257.09247	4.2
257.12830	1.8
259.07013	1.8
259.09659	2.9
268.09418	0.8
275.13892	4.0
285.12308	16.2
303.13345	39.3
321.14401	12.9
381.12274	0.5
392.47101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.1
55.86024	0.1
56.25658	0.1
56.77084	0.1
59.20103	0.1
65.73173	0.1
66.04705	0.1
67.65468	0.1
69.03426	0.1
75.56078	0.1
77.03927	0.1
79.05476	0.4
81.03396	0.1
81.07048	0.1
85.02881	0.5
91.05457	0.4
94.04167	1.1
95.04977	0.1
97.02837	0.1
103.05420	0.2
121.06474	0.2
122.03622	4.7
122.04525	0.2
131.04904	0.5
137.05959	100.0
138.06276	0.7
147.04381	0.4
149.05978	0.4
151.07529	0.2
153.06998	0.7
153.25552	0.1
163.07520	1.1
179.07007	0.5
181.06441	1.2
209.05927	0.4
210.06752	0.1
213.09079	0.8
221.06055	0.2
225.09128	0.5
241.08469	0.6
253.08591	0.5
273.11240	0.4
285.11230	0.8
303.12271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.1
58.93775	0.1
61.02905	0.1
65.03927	0.1
67.92629	0.1
69.03405	0.1
71.33460	0.1
75.33394	0.1
79.05460	0.4
81.03363	0.1
81.07043	0.1
85.02893	0.8
86.09679	0.1
89.83601	0.1
91.05450	0.6
94.04180	1.4
97.02888	0.2
103.05450	0.6
107.04934	0.2
109.06516	0.1
119.04914	0.2
122.03625	4.6
129.89905	0.1
131.04898	1.2
137.05954	100.0
138.06261	0.7
147.04396	0.4
149.05943	0.5
151.07466	0.2
153.06966	0.5
163.07506	2.2
165.06906	0.1
174.95093	0.1
179.07028	0.2
181.06444	0.8
187.06262	0.1
193.06467	0.1
196.05113	0.1
198.06866	0.1
209.05984	0.1
210.06911	0.1
213.09079	0.6
221.05934	0.4
225.09100	0.5
241.08565	0.4
253.08466	1.0
273.11166	0.5
285.11145	0.9
302.02621	0.1
303.12109	0.4
424.25720	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	500.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78465	0.1
61.02904	0.3
69.03416	0.8
81.03373	0.2
81.07049	0.2
85.02428	0.2
85.02892	3.3
91.05457	0.9
94.04173	1.3
95.04955	0.4
97.02858	1.2
103.05418	0.2
107.04914	0.3
109.02860	0.3
112.71075	0.2
114.37418	0.2
119.04908	0.2
121.06489	2.0
122.03618	3.8
123.04398	0.3
127.03896	0.4
131.04900	0.3
134.03563	0.4
137.05952	100.0
138.06367	0.3
145.04939	0.4
147.04399	0.4
149.05943	5.3
151.07516	2.7
152.18950	0.2
153.06967	3.6
163.07481	0.7
165.06915	0.2
167.08534	0.4
179.06914	0.4
180.05788	0.2
181.06435	8.2
182.07242	0.4
193.86055	0.2
195.08003	1.3
198.06741	1.0
209.05939	1.8
210.06636	0.3
213.09065	7.0
225.09145	0.6
226.06151	0.3
241.08527	6.9
242.09296	0.4
253.08621	0.4
258.08862	0.4
273.11154	19.1
285.11188	0.9
303.12167	0.8
327.53485	0.2
327.83151	0.2
362.55966	0.2
397.99023	0.2
444.05530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27514	0.1
55.63288	0.1
57.03427	0.2
69.03413	1.1
72.08141	0.2
75.94606	0.1
77.37646	0.1
85.02888	1.3
86.09686	0.6
87.04460	0.3
97.02893	1.1
102.70977	0.1
105.03390	0.2
107.04948	0.3
115.03900	0.2
121.06471	0.2
122.03609	0.3
132.04437	0.2
136.06163	0.2
136.07631	0.1
137.05957	15.7
149.06009	0.3
150.05492	1.2
150.34863	0.1
160.03897	0.2
170.08046	0.2
178.04962	100.0
179.05318	0.2
180.05453	0.1
181.06529	0.2
190.29248	0.1
205.23840	0.1
206.04459	86.9
207.04794	0.3
213.09027	0.3
225.08978	0.2
241.04147	0.1
241.08571	0.3
261.05688	0.8
273.11063	1.2
282.58517	0.1
285.10962	0.1
368.09705	20.0
400.51126	0.2
439.08139	0.1
500.13745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.5
53.03922	0.9
53.60693	0.5
54.22152	0.4
55.01861	0.5
55.05500	2.2
56.96535	0.7
57.03433	10.0
59.04966	0.7
61.02907	1.1
67.05450	0.6
69.03409	3.1
70.06559	1.2
71.01337	1.9
71.04977	41.2
72.08128	1.1
73.02889	2.5
75.04458	2.6
81.03391	1.8
83.01365	0.4
83.04973	5.1
84.08124	0.6
85.02892	50.2
87.04450	2.1
88.15881	0.5
91.05460	3.1
91.16969	0.5
94.06550	2.8
95.04980	0.8
95.08585	1.1
97.02871	0.9
98.97549	1.2
99.04430	1.9
103.03915	0.6
104.28033	0.5
107.04939	0.9
109.02879	1.0
111.04446	3.4
116.98600	1.1
117.03316	0.5
118.06544	5.0
119.01694	0.5
119.04922	3.3
122.06013	5.0
123.04448	0.5
127.03870	1.8
129.05431	5.7
131.04872	0.7
134.99655	0.8
135.04384	2.2
136.04738	0.6
137.05936	6.1
139.03865	0.8
141.09044	0.8
145.02849	0.5
145.04971	0.6
146.05992	14.6
147.04396	8.7
147.06664	0.6
157.04973	0.7
162.05490	0.8
163.03876	4.7
164.04239	1.0
164.07021	2.9
174.05478	100.0
175.06171	0.7
192.06529	40.5
224.05231	0.7
231.72702	0.5
251.06972	0.6
252.96234	0.5
321.09943	0.7
333.07599	0.6
354.11761	72.4
381.12067	0.6
398.77414	0.6
500.17487	7.8
500.24585	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81836	0.6
55.05507	0.8
57.03429	0.6
60.71058	0.5
64.57043	0.6
67.05508	4.0
67.51504	0.6
76.56252	0.6
79.05486	1.0
81.05433	0.5
81.07031	2.3
93.07024	0.9
95.07929	0.5
95.08590	2.8
97.93044	0.5
105.07025	0.8
107.08598	0.9
110.54961	0.5
120.96624	4.4
129.02849	0.6
138.72737	0.7
164.00842	2.3
293.67786	0.6
336.26141	0.7
358.60992	0.7
443.24017	3.4
456.22070	2.6
466.50729	0.7
498.25574	0.7
499.26587	100.0
500.26678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35310	0.8
53.03944	1.4
55.01860	1.5
57.03431	1.6
59.50621	0.8
61.02908	4.6
64.81078	0.8
66.21172	0.9
69.03409	8.9
70.06577	1.2
74.02396	0.9
79.05453	1.5
81.03372	2.1
82.99426	0.7
85.02892	17.6
86.09673	0.8
87.44983	0.9
87.91276	0.8
89.03875	5.7
95.04938	4.0
97.02851	7.1
103.96505	0.8
107.04928	1.7
111.04407	1.6
117.03376	10.7
118.06527	1.7
127.03873	4.4
129.06950	1.7
130.06503	7.4
131.04889	1.7
132.08061	4.2
135.04388	28.9
137.05948	7.1
139.03835	1.6
144.08049	16.6
145.02808	18.7
146.06018	6.7
154.06409	1.1
155.07266	1.3
156.08066	20.5
158.09612	4.4
160.07561	8.1
163.03867	100.0
167.07301	2.0
168.08041	11.3
170.05962	13.1
174.09105	1.6
180.07999	1.6
181.04944	4.1
182.05978	5.2
182.09595	4.7
183.06711	3.7
183.09167	3.9
184.07547	17.7
188.07002	7.9
194.09465	1.0
196.07562	1.9
201.10321	1.2
202.08653	7.9
205.09584	1.3
210.09111	4.8
212.06964	3.7
220.07552	1.6
224.07072	1.8
228.10159	3.8
229.09746	7.8
230.08058	14.6
246.11261	1.4
247.10757	9.3
252.07262	1.1
271.10037	1.1
283.10217	1.4
284.09430	1.9
288.99786	1.1
301.11746	4.4
302.10236	6.9
316.06113	1.0
319.12653	3.7
320.11292	3.7
337.13855	14.0
369.56253	1.1
408.16653	1.0
481.17441	1.3
499.19104	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	498.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97810	0.8
53.99365	0.8
55.01851	1.0
55.05504	8.8
55.05722	0.8
57.03432	13.8
57.06036	0.8
57.07067	1.4
59.05001	1.5
61.02909	4.1
64.25607	0.9
65.03925	1.2
67.05145	2.3
67.05495	54.2
69.03414	1.2
69.07057	10.9
71.04986	16.1
73.02911	1.7
79.05470	18.7
81.03381	2.1
81.07042	92.5
83.04989	4.6
83.08601	9.9
85.02899	7.9
85.06532	11.7
91.05466	18.1
93.07032	30.0
95.04918	1.6
95.08591	14.2
97.02880	2.1
97.06528	12.4
97.10181	1.4
99.04436	1.3
99.08073	3.8
105.07006	7.4
107.04939	1.0
107.08598	13.5
109.06512	1.6
109.10123	5.5
111.08061	4.5
117.07040	8.1
121.10132	5.1
123.11670	10.9
127.03873	1.1
131.04912	1.0
131.08553	10.6
133.10110	17.4
134.06015	2.3
135.08023	1.4
135.11665	6.7
137.05994	6.7
147.04280	1.4
149.13240	14.8
151.11194	6.6
159.11674	30.2
161.13188	2.3
169.12190	1.6
170.66135	1.1
171.20596	1.1
177.12711	25.6
178.04916	1.7
179.14282	6.0
181.14853	1.0
187.13194	9.4
195.13745	7.0
201.09149	1.3
243.14006	0.9
243.15880	44.2
251.16324	9.9
269.17429	100.0
271.95972	1.0
273.08859	1.3
301.11798	3.9
301.14682	1.8
301.20010	17.3
319.12860	1.2
381.26355	1.0
413.20837	1.2
445.24286	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	499.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.8
57.03428	4.8
61.02922	5.3
66.41626	2.2
69.03426	21.9
69.23161	2.3
70.06589	3.8
71.04983	2.9
73.02905	3.2
81.03403	8.1
84.08128	2.8
84.66843	2.1
85.02891	49.4
87.04450	2.8
89.03929	4.5
97.02878	21.5
103.05452	4.7
107.04930	2.9
109.02876	4.6
117.03365	9.7
118.06520	3.2
127.03928	9.1
127.39601	2.9
129.06979	4.5
130.06474	23.3
131.04915	10.2
132.08084	11.7
135.04410	32.6
137.05943	56.0
138.06238	2.6
143.07365	2.8
144.08072	45.5
145.02827	16.7
146.06000	19.9
154.06482	3.2
156.08064	59.5
157.08730	2.6
158.09674	13.8
160.07544	26.0
163.03874	100.0
163.05176	3.7
163.07552	2.7
163.60881	2.4
167.07332	4.4
168.08064	27.9
170.05959	38.1
172.07492	2.6
180.08066	4.6
182.05957	22.4
182.09708	5.4
183.06773	3.9
183.09181	10.9
184.07535	40.5
188.07051	24.1
194.09596	3.4
202.08612	33.7
205.09715	4.5
210.09167	13.5
210.90335	2.4
212.07088	10.3
214.08551	3.2
224.07391	3.9
228.06480	4.0
228.10121	9.3
229.09723	29.0
229.56482	2.3
230.08089	53.0
238.08455	2.9
246.11215	4.3
247.10785	28.7
251.06978	9.7
252.07288	11.2
261.52518	2.5
264.12326	3.4
266.08179	3.7
271.10648	4.4
272.10052	2.4
274.10785	2.9
283.09845	3.3
284.09497	14.8
301.12146	6.5
302.10242	16.8
304.01309	2.5
319.12863	12.4
320.11353	10.9
337.13919	37.5
499.12115	3.9
499.18893	32.1
511.88702	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	498.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
54.81683	1.2
55.01860	1.9
55.05506	12.5
57.03431	16.7
59.04985	2.1
61.02909	5.2
67.05138	2.4
67.05494	58.0
69.03400	2.4
69.07057	9.0
71.04991	14.2
73.02872	1.2
73.06602	1.1
75.81831	1.1
79.05477	19.1
81.03397	2.7
81.07040	95.1
83.04948	4.3
83.08603	7.8
85.02904	8.4
85.06533	12.7
91.05460	25.1
93.07027	26.1
95.04938	1.8
95.08601	11.4
97.02876	2.5
97.06515	28.1
97.10163	2.3
99.08076	2.5
105.07009	8.0
107.04958	5.8
107.08577	12.1
109.06488	2.0
109.10147	5.0
111.08067	4.6
117.07003	6.5
119.04906	2.0
119.08561	5.5
121.06450	1.3
121.10139	6.5
123.11671	15.0
125.09667	1.2
127.03858	1.6
129.06993	1.6
131.08516	13.1
133.06479	1.9
133.10098	14.0
135.08031	2.5
135.11635	2.6
137.05943	17.9
143.08492	1.2
147.04460	1.6
149.13251	14.2
151.11172	6.5
153.01825	2.8
157.10126	5.9
159.08047	2.7
159.11674	23.2
161.06023	1.3
161.13263	2.6
171.11707	2.8
173.05980	1.8
173.09624	4.7
175.07510	4.8
175.11139	1.6
176.08250	1.2
177.12715	14.4
179.14299	7.1
187.07500	7.7
187.13251	10.7
191.10655	7.2
195.13733	2.5
197.84488	1.2
200.08296	4.3
201.09039	9.3
203.06976	5.3
205.08536	11.3
231.10344	1.6
234.06557	1.2
241.12210	4.9
243.15869	52.7
243.18404	1.7
250.77371	1.3
251.16423	5.2
255.47180	1.2
257.11765	2.5
269.17426	100.0
283.20673	4.5
301.14536	17.5
301.19955	15.5
313.11661	1.9
313.16275	4.6
319.15341	5.2
373.13721	5.6
445.23727	1.4
512.92804	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01861	7.7
55.05500	3.7
55.46883	0.5
57.03419	6.7
57.37498	0.5
61.02919	4.9
65.03909	0.5
67.05492	19.6
67.84718	0.6
69.03413	0.9
69.07039	3.8
71.04971	2.7
72.08117	2.1
73.02885	2.6
76.67043	0.5
77.20572	0.5
79.05141	0.5
79.05480	9.8
81.03395	2.2
81.07034	11.1
81.87519	0.6
83.04970	24.5
83.08601	4.1
85.02890	7.1
85.06528	2.6
85.67928	0.5
91.03931	1.4
91.05461	5.8
92.09393	0.5
93.07022	17.4
95.04935	3.3
95.08577	6.6
97.02870	2.6
97.06503	8.4
99.04451	4.5
99.08073	0.9
101.02353	1.2
105.06993	2.7
107.04938	3.4
107.08582	11.4
109.02866	1.1
109.06498	1.2
109.10144	12.5
110.25674	0.6
111.04430	68.0
111.08070	21.7
116.62735	0.5
117.06989	2.9
119.08558	7.1
121.02836	0.6
121.06464	2.9
121.10131	14.9
125.05946	3.0
129.06982	1.1
131.08545	6.2
133.10118	1.0
135.08058	0.8
135.11671	26.7
137.05959	1.4
137.09579	0.6
145.06467	0.9
145.10103	18.3
147.08081	0.8
147.11649	4.5
149.09586	6.8
153.12727	33.8
155.08553	2.9
163.11151	47.7
173.09581	10.2
181.12210	55.3
183.34822	0.6
191.10634	42.5
199.13333	1.0
209.11713	9.9
227.12744	43.0
283.15369	65.8
301.16415	100.0
463.21341	1.9
463.27121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01623	0.6
55.01863	9.6
55.05235	0.6
55.05504	16.9
56.06873	0.3
56.80730	0.3
57.03427	14.4
57.07062	0.4
61.02911	6.8
67.05491	18.2
69.03412	4.4
69.07053	6.2
70.04189	0.6
71.01327	0.8
71.04961	2.4
73.02903	6.2
79.05476	18.7
81.02934	0.6
81.03400	15.1
81.07039	14.7
82.04177	7.9
83.01325	0.6
83.04965	9.9
83.08602	8.1
84.02105	1.8
84.05726	1.7
85.02894	8.2
85.06520	0.8
87.04427	0.6
89.56182	0.4
90.72253	0.3
91.03944	2.7
91.05464	13.0
93.07020	13.3
94.04156	0.7
94.07812	0.7
95.04947	14.7
95.08589	5.5
96.05712	0.9
97.02863	7.2
97.06502	5.0
97.10150	14.7
98.07281	6.9
99.04382	0.8
101.05988	1.5
102.87788	0.3
105.07016	7.3
107.04917	3.6
107.08580	10.3
108.05682	0.5
109.06484	3.3
109.10153	3.3
110.07279	0.6
111.04413	1.8
111.08068	3.2
113.05925	0.5
115.07543	0.6
116.04687	16.3
117.06989	3.9
119.08551	5.8
120.09341	0.7
120.49937	0.4
121.06467	2.6
121.10133	3.7
123.08044	5.8
123.11665	0.5
125.09605	16.3
126.10374	0.7
127.03892	0.9
129.05457	38.6
129.06845	2.7
131.04929	0.4
131.08566	4.5
133.06401	0.5
133.10103	5.8
135.08026	4.1
135.11684	2.2
136.08803	0.8
137.05997	3.9
137.09583	1.7
138.06273	0.7
142.07762	0.7
143.07018	8.7
143.10669	0.6
145.04962	0.4
145.10117	2.6
147.04448	0.6
147.08015	0.4
147.11678	4.6
149.09599	2.0
153.09082	2.3
157.08571	18.5
157.10088	3.6
163.07541	0.4
163.11101	1.7
164.12021	0.8
165.12724	0.8
171.10127	5.8
173.11546	0.5
175.11174	2.3
179.07069	0.8
181.12212	0.7
185.11710	1.6
189.11194	10.6
193.12189	3.7
199.13348	3.8
200.14073	3.9
209.11707	1.4
210.12439	1.6
211.13371	0.7
227.12743	33.1
267.16031	2.9
283.15393	3.8
284.16196	1.9
301.16403	100.0
393.58466	0.4
435.51590	0.4
463.21622	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92813	2.7
53.03931	6.4
55.01860	31.3
55.05503	64.6
57.03426	22.2
59.04976	3.2
61.02908	14.5
61.64866	3.4
67.05489	100.0
69.03416	12.4
69.07053	23.9
70.06566	5.4
71.01346	12.7
71.04973	6.9
73.02897	7.9
78.01113	3.4
79.05479	81.4
81.03395	67.4
81.07034	61.6
83.04967	44.5
83.08601	18.3
85.02895	33.3
85.06544	3.7
91.05466	49.2
93.07029	55.5
95.04953	17.6
95.08578	22.2
97.02850	39.9
97.06498	16.5
97.10130	12.2
99.04439	5.2
100.85384	3.0
103.03916	3.9
103.05443	4.4
105.04502	3.9
105.07017	23.1
107.04929	52.3
107.08575	34.2
109.02855	5.9
109.06491	5.9
109.10131	65.6
111.04411	17.8
111.08087	6.8
117.06985	24.3
119.08588	23.0
121.06492	7.7
121.10129	20.0
123.04495	3.2
123.08029	5.1
125.09595	7.2
127.03889	6.5
129.06993	7.5
131.04918	4.1
131.08545	13.6
133.06479	6.6
133.10112	3.7
135.08037	7.2
135.11687	25.0
137.05949	46.8
145.10107	37.9
147.04420	5.0
151.07573	6.2
153.05450	4.1
153.12740	25.3
155.08499	7.4
163.07562	5.1
163.11153	72.7
165.09097	12.4
173.09583	7.7
173.11679	22.9
181.12202	16.1
191.10632	4.9
209.11659	12.3
223.35347	3.0
227.12654	6.0
229.14319	78.9
267.09845	4.0
283.12686	3.9
283.15381	28.4
299.12692	3.7
300.13000	11.0
301.14029	18.9
301.16888	4.8
337.54752	3.4
445.20343	10.7
520.96875	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	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89506	0.5
53.03925	1.1
55.01864	5.9
55.05318	0.6
55.05508	9.8
56.72729	0.6
57.03429	9.6
57.07050	0.8
61.02904	6.5
61.23034	0.5
61.56064	0.5
63.73856	0.5
66.27062	0.7
67.05147	0.9
67.05493	23.7
69.03420	7.0
69.07062	6.8
70.06564	1.5
71.04977	3.4
72.08128	0.9
73.02899	3.3
79.05475	21.9
81.03393	8.1
81.06596	1.2
81.07040	21.2
83.04968	14.3
83.08616	8.0
85.02896	14.6
85.06542	2.7
86.09660	0.6
87.04450	3.1
91.03951	1.4
91.05457	16.4
92.09344	1.5
93.07023	27.1
95.04951	14.5
95.08569	11.0
97.02872	15.2
97.06518	6.4
97.10162	1.0
99.04435	4.7
103.03943	1.1
103.05429	1.3
105.07019	10.9
107.04948	16.7
107.08582	17.3
109.02851	2.9
109.06516	4.3
109.10140	8.4
111.04423	19.2
111.08063	3.2
113.05992	1.1
115.03859	2.2
117.07021	7.6
119.04922	0.9
119.08561	9.0
121.02870	0.7
121.06472	4.2
121.10102	11.0
122.03664	0.8
123.04394	2.9
123.08063	1.2
123.11652	1.0
125.05991	1.2
127.03906	3.0
129.06989	1.5
130.07724	1.5
131.04945	1.5
131.08557	6.0
133.04959	1.4
133.06459	2.8
133.10107	9.5
135.04366	0.8
135.08046	4.1
135.11671	17.5
137.05952	15.6
137.09604	3.1
141.05478	0.7
145.06505	1.7
145.10106	18.3
147.04364	1.5
147.08035	2.9
149.06050	2.3
149.09561	5.2
151.03920	2.5
151.11133	5.5
153.12671	1.2
155.08510	4.0
161.05928	1.5
163.07588	1.0
163.11154	23.3
164.31134	0.7
165.09084	2.9
167.06836	0.7
169.12169	6.2
173.09587	8.6
177.05452	4.9
181.12175	3.7
187.13330	0.8
191.10625	12.3
207.10115	0.7
209.11700	38.3
219.01308	0.8
227.12798	5.5
265.14270	3.6
271.09421	1.4
283.15350	100.0
301.10727	13.0
301.16415	6.9
319.12329	0.9
403.66016	0.9
427.19479	1.1
431.64868	0.7
445.20383	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	498.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.4
54.11406	0.4
55.01865	5.2
55.05489	2.3
55.33485	0.4
57.03428	4.4
57.43823	0.4
59.04982	0.9
60.45716	0.4
61.02913	3.7
65.03907	0.6
66.46428	0.4
67.05492	6.3
69.03419	6.5
69.07044	0.9
71.04961	1.9
73.02879	2.0
77.03893	0.5
79.05093	0.4
79.05474	6.1
79.07719	0.5
81.03378	6.1
81.07040	5.5
82.04163	0.8
83.04957	2.6
83.08591	1.1
85.02888	21.5
85.06510	0.6
87.04424	2.1
91.03871	0.6
91.05464	6.9
93.07021	3.6
94.04149	0.6
95.04948	3.7
95.08556	1.2
97.02863	7.9
97.06499	1.1
97.10143	0.7
98.07302	0.7
103.05436	1.1
105.06367	0.8
105.07014	15.7
107.04957	6.0
107.08557	2.1
108.05725	4.5
109.02824	1.2
109.06503	50.1
109.21804	0.5
111.04433	0.7
111.08040	2.0
114.35431	0.5
115.05409	1.1
116.04689	0.7
117.06998	3.9
119.06018	0.7
119.08546	4.8
121.06475	5.9
121.10140	0.5
123.04363	1.2
123.08001	3.1
125.05909	0.8
125.09579	0.7
127.03928	3.8
129.05414	3.1
129.06920	0.7
131.04843	2.3
131.08514	1.1
133.05556	0.6
133.06474	14.2
133.10059	0.6
135.04395	15.8
135.08029	3.5
135.11732	0.8
136.08745	0.7
137.05954	17.4
137.09601	10.0
139.07469	0.6
141.06888	0.7
145.04897	1.1
145.06470	5.9
145.10094	1.1
147.04332	2.4
147.08095	3.5
147.09087	0.7
147.11604	0.6
149.05983	5.5
150.06709	3.5
151.07507	6.7
153.05431	0.6
153.06909	1.8
157.06395	0.7
157.08568	1.1
157.09985	0.5
159.07947	1.1
161.05896	2.5
163.07512	34.5
163.11047	0.8
164.08234	2.3
165.06993	3.7
165.09081	21.7
166.07744	4.2
167.04636	0.6
167.06989	2.3
167.08492	2.3
169.06476	0.7
171.10057	0.5
175.07468	0.8
177.09007	1.8
179.10660	11.3
180.09224	0.8
181.06416	3.0
181.10094	10.9
183.07968	2.1
186.06720	1.0
187.07442	1.0
189.09167	0.6
189.11142	1.0
190.07686	0.9
191.08539	3.6
191.10170	0.5
193.12173	0.6
194.07245	5.2
195.08044	4.9
195.11597	0.8
197.09569	0.8
198.06660	2.6
198.10400	0.6
199.07491	4.0
201.09035	7.1
208.08670	3.0
209.09592	27.2
209.11577	1.3
211.07471	5.3
212.08266	3.5
213.09109	4.4
215.10579	2.0
219.08049	3.5
221.05965	1.0
222.06714	5.3
223.07494	1.0
223.11107	5.3
225.09035	2.8
226.09836	5.7
227.07016	9.0
227.10573	8.0
227.12730	3.4
235.07379	0.7
236.08174	3.1
237.09067	33.6
238.09712	1.0
239.06923	3.6
239.10565	0.8
240.07645	2.2
241.08411	1.9
241.12192	8.3
251.10605	7.6
254.09341	14.1
267.15692	0.9
269.11670	91.4
271.09592	0.7
283.15427	0.8
301.14160	100.0
302.14383	0.6
423.04175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37973	0.8
53.03940	1.7
54.03598	0.8
55.01862	5.6
55.05493	6.1
57.03429	8.3
58.68656	0.8
61.02913	3.7
62.35624	1.0
62.44740	0.9
65.03938	1.2
67.05490	13.6
68.86871	0.9
69.03422	10.4
69.07047	4.4
70.06573	2.2
71.04971	4.0
73.02896	1.3
79.05475	11.1
81.03404	5.6
81.07037	13.2
83.04973	8.4
83.08611	2.2
84.08127	1.2
85.02891	19.9
86.09672	1.0
87.04447	4.0
91.03897	1.0
91.05445	18.5
93.07024	13.7
95.04955	5.5
95.08565	9.7
97.02860	10.1
97.06512	5.3
97.10169	1.1
99.04422	4.7
103.05460	3.9
105.07011	25.1
106.04157	2.4
107.04932	9.9
107.08587	9.3
109.02882	1.9
109.06502	2.3
109.10149	12.7
111.04419	16.4
111.08059	2.2
113.09638	1.0
115.03917	1.4
115.05448	5.3
117.06997	16.4
119.04939	4.1
119.08591	8.2
121.06469	8.9
121.10120	8.3
122.03632	1.4
123.08062	1.8
125.05989	2.0
127.03883	4.1
129.06995	3.4
131.04893	4.0
131.08530	2.3
133.04967	1.5
133.06464	13.4
133.10086	7.9
134.07254	4.5
135.04410	8.9
135.08043	4.7
135.11693	10.3
137.05952	44.6
139.11108	1.2
144.05731	2.0
145.04921	1.5
145.06450	5.5
145.10042	8.5
147.04424	1.2
147.08061	1.3
149.05948	20.1
149.09541	8.9
150.06740	6.5
151.03908	1.0
151.07564	6.9
151.11151	5.1
153.06963	1.1
153.12735	4.3
155.08528	1.9
155.14525	0.9
159.08020	1.7
161.05945	1.5
162.06667	1.6
163.07489	17.3
163.11147	12.4
164.08241	1.1
165.09074	53.4
165.10477	1.7
167.07016	1.8
167.08638	0.9
169.12222	5.7
173.05911	1.0
173.09563	6.1
177.09070	92.0
179.10677	1.6
181.10049	1.7
181.12173	7.5
183.07965	1.1
187.07506	1.5
191.08662	1.1
191.10600	7.8
194.07259	1.0
195.07990	2.4
201.09064	3.6
209.09621	8.1
209.11726	9.4
213.09109	1.8
215.10590	1.6
219.08034	1.7
222.06694	1.8
223.11165	2.1
225.09099	1.6
226.09708	1.1
227.06943	2.3
227.12741	5.7
237.09129	6.2
241.12238	7.3
251.10634	5.9
269.11646	22.5
283.09543	3.6
283.15411	43.9
299.82422	1.1
301.14072	100.0
302.14563	1.1
462.55841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30698	0.7
53.03936	0.9
55.01865	6.1
55.05494	1.7
55.54047	0.6
57.03426	4.9
57.07057	0.6
59.04984	1.1
61.02915	3.8
67.05494	14.6
69.03423	6.1
69.07046	1.5
71.04968	4.5
73.04944	0.8
79.05471	8.4
81.03400	3.1
81.07036	23.4
81.48673	0.9
83.04948	1.5
83.08597	3.6
85.02888	15.6
85.06526	1.8
87.04472	1.8
87.46909	0.7
91.03953	1.0
91.05452	8.1
93.07045	9.7
95.04939	3.2
95.08566	6.0
97.02867	5.2
97.06507	1.3
99.04422	5.6
99.90571	0.8
103.03931	9.5
103.05429	2.9
105.07014	17.8
107.04929	5.8
107.08579	3.8
108.05708	4.0
109.02890	1.6
109.06503	53.3
109.10188	0.9
117.06992	6.4
119.04925	1.0
119.06098	1.2
119.08560	4.1
121.06469	6.5
121.10122	1.5
123.04382	1.5
123.08047	4.5
123.11684	4.3
125.05949	1.3
127.03909	9.9
129.06981	1.1
131.04936	1.0
131.08516	3.6
133.06479	14.7
133.10107	5.9
135.04411	17.3
135.07990	3.3
135.11670	1.1
136.08835	0.8
137.05952	16.1
137.09595	9.2
139.07588	0.8
145.04964	1.4
145.06480	7.1
147.04416	3.1
147.08028	3.5
149.05962	3.7
149.13234	4.7
150.06764	3.5
151.07481	8.5
151.11307	1.1
153.05371	0.9
153.07053	1.0
155.08562	1.6
159.07988	0.9
159.11646	8.0
161.06021	1.6
161.09666	1.1
162.06694	1.0
163.06087	3.3
163.07504	40.9
164.08301	1.9
165.06946	3.1
165.09067	18.4
166.07750	3.5
167.07082	1.4
167.08580	3.5
171.11574	1.0
177.05522	1.2
177.09106	3.2
177.12744	5.7
179.10646	11.8
180.09317	1.3
181.06432	1.3
181.10095	11.5
183.07938	1.3
187.07509	1.3
187.13234	1.0
191.08530	4.8
194.07295	4.5
195.08078	3.8
195.11708	1.7
195.13725	1.3
198.06757	1.8
198.44138	1.0
199.07562	5.2
201.09077	7.3
208.08836	3.6
209.09572	28.0
211.07498	5.1
212.08359	5.7
213.09131	5.2
215.10686	1.0
219.08020	3.2
222.06682	1.8
223.11082	4.4
225.09111	3.8
226.09824	5.2
227.07045	10.6
227.10602	9.8
236.08292	3.1
237.09068	37.2
238.09845	1.6
239.07083	3.6
240.07698	1.7
241.08578	1.6
241.12163	10.2
243.15897	14.1
251.10658	7.0
251.16333	3.2
253.08485	1.0
254.09322	15.8
265.19452	1.0
269.11664	100.0
269.17419	22.0
270.12054	1.3
282.41476	0.9
283.20648	2.7
301.11176	2.6
301.14297	69.6
301.20035	4.5
372.77100	0.9
431.17126	1.2
445.24301	1.6
463.19577	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05504	3.0
57.03421	2.8
57.05339	0.5
64.24432	0.5
67.05495	9.2
69.03426	1.1
69.07043	3.0
70.06563	2.8
71.04968	4.5
71.08604	1.2
75.77991	0.6
79.05466	3.9
81.03399	0.9
81.07038	13.4
82.07483	0.6
83.08605	1.4
84.04482	3.5
85.02894	7.2
85.04003	0.7
85.06527	2.4
91.05465	4.7
93.07017	7.1
95.04950	1.2
95.08585	4.5
97.02887	1.4
97.06504	1.4
99.04395	0.6
99.05559	3.0
99.08051	3.1
100.02148	0.8
103.05406	0.7
105.07021	3.8
106.06515	0.9
106.18567	0.6
106.77329	0.6
107.04916	0.9
107.08588	4.3
109.02857	0.8
109.06458	0.7
109.10179	0.7
117.07005	3.5
118.06557	4.6
119.08565	1.5
121.10141	0.6
123.08072	1.1
123.11707	2.5
125.09570	0.9
129.23253	0.7
130.04977	1.1
131.08521	2.4
133.06468	3.7
133.10097	4.8
134.06052	1.1
135.04384	3.6
135.07985	0.9
135.11681	2.3
137.05942	6.6
146.05992	15.9
147.04410	1.4
147.06818	1.1
147.08022	2.7
149.04164	0.7
149.05939	0.9
149.09583	0.9
149.13263	2.3
150.03706	3.5
151.11174	0.7
155.08488	0.8
159.11653	5.2
162.05545	2.1
164.07019	1.2
165.09113	1.3
166.03172	2.9
172.11317	0.8
175.07549	3.1
177.07434	0.8
177.09021	2.2
177.12703	4.6
178.03203	8.5
180.04724	1.0
182.02516	0.7
187.09889	1.0
187.13216	0.9
189.05420	0.7
192.04839	1.5
192.06499	11.3
193.08673	1.0
195.03490	1.5
195.13705	1.3
196.04256	6.1
206.08139	1.2
212.03641	1.3
221.08081	3.1
223.20126	0.7
224.03711	19.8
224.05731	1.1
228.13760	1.3
232.11487	0.9
236.03781	1.0
238.05304	1.0
243.15855	4.3
244.09546	0.8
244.13309	2.8
250.05362	2.7
252.10484	0.8
258.14786	1.5
260.10901	6.9
262.12454	0.7
264.06793	2.6
269.17383	11.9
272.12787	6.9
273.13467	1.0
275.15121	4.1
276.10544	0.9
276.15872	5.1
278.08395	6.1
278.12067	3.0
288.10355	0.8
290.11893	1.3
301.14322	2.2
301.20111	2.7
301.36194	0.7
304.15253	1.4
306.11539	53.5
308.13101	6.1
319.15634	0.8
322.16418	2.3
324.12500	1.2
332.13220	2.3
336.12534	5.9
352.12064	100.0
353.12350	1.1
354.13599	7.3
359.14194	1.2
360.12503	2.6
377.15274	4.3
378.13562	1.2
388.12238	1.4
395.16287	4.2
445.24078	0.8
480.17920	15.7
481.16443	10.3
498.18970	24.0
498.25693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
56.52961	0.5
57.03426	2.6
61.02912	2.4
63.00108	0.6
65.03922	0.8
65.88618	0.4
67.05506	2.1
69.03423	4.8
70.06576	0.6
79.05470	0.8
81.03397	2.8
81.07027	0.6
83.04935	0.6
84.08108	0.6
85.02893	17.8
91.05459	1.3
95.04926	1.9
97.02856	6.1
99.04440	1.0
107.04913	1.1
109.02866	2.7
109.06526	0.5
111.04401	0.8
117.03364	0.6
117.11398	0.5
119.04895	0.6
119.08585	0.7
121.06464	2.8
122.03662	0.7
123.04390	0.6
127.03872	2.1
134.03627	0.6
135.04402	12.5
137.05959	20.9
141.05455	2.9
145.05000	0.9
145.06436	0.9
147.04382	1.1
147.08058	0.7
149.05963	66.1
151.03888	69.4
151.04997	5.6
151.07501	2.7
153.05591	0.8
153.06966	5.1
161.05910	0.5
163.03830	0.8
169.53429	0.5
177.05431	100.0
178.04865	0.6
180.06442	2.0
180.10349	0.6
181.06447	13.0
191.10663	0.9
195.08023	1.2
198.06676	1.0
209.05856	4.0
211.07471	1.1
213.09067	7.8
226.06158	1.2
239.06958	1.3
241.08568	7.3
268.07001	0.6
269.08084	2.3
271.09586	7.7
273.11145	12.8
283.09662	1.0
283.15201	1.0
290.82767	0.6
296.93539	0.5
301.10666	26.5
301.16068	0.8
302.11255	0.6
304.18765	0.6
319.11710	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	496.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57328	0.2
56.05017	0.2
57.03427	0.3
57.07069	1.3
58.06587	0.2
60.07858	0.4
60.08153	8.5
62.98238	0.2
67.05489	0.3
69.07053	0.2
71.07360	3.6
71.08612	1.0
77.83534	0.2
81.07035	0.3
83.08598	0.2
85.10148	0.2
86.09692	43.6
95.08604	0.8
98.98443	3.2
104.10726	3.7
109.10154	0.2
109.92141	0.2
124.99980	30.8
129.50499	0.2
143.00998	0.2
162.81374	0.3
184.07307	100.0
215.66521	0.2
400.30942	0.3
478.32611	1.3
496.33759	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	496.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22287	6.4
55.01875	62.3
55.05497	9.3
67.05503	30.8
68.05022	47.5
69.07077	8.9
75.75205	6.5
81.07041	36.2
83.08602	6.2
89.05997	8.9
91.05427	6.7
93.07046	10.5
95.04951	7.5
96.58099	6.4
96.85427	7.5
97.06480	11.3
98.09680	8.2
105.07049	8.4
106.06551	15.4
107.08605	12.4
108.08095	7.2
109.10172	8.1
109.74273	7.2
111.08066	5.9
120.08068	8.7
122.05997	100.0
124.07533	55.0
136.07559	59.1
153.07759	8.9
176.14326	50.5
204.13835	36.9
222.14835	81.1
291.55560	7.3
391.15060	7.1
402.01358	6.9
495.43558	42.0
496.34375	95.5
496.43851	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
54.81210	0.7
55.05505	6.8
55.14803	0.6
56.75510	0.6
57.03434	9.5
57.07058	1.0
59.04021	0.6
65.03925	0.8
67.05189	1.0
67.05503	15.3
69.07074	5.1
79.05477	17.9
81.07040	100.0
83.08601	2.6
89.06007	1.6
91.05453	5.2
92.08750	1.4
93.07026	13.4
95.04949	0.9
95.08586	10.2
99.08067	3.5
105.07017	3.2
107.08592	8.9
109.10143	6.9
109.97095	0.7
111.08082	0.8
111.86408	0.6
117.07010	1.3
119.08581	1.4
121.10194	5.2
121.10909	0.7
127.07499	4.0
131.08511	1.6
133.10100	1.3
135.11676	4.0
145.08595	4.0
147.11607	0.8
155.89394	0.8
173.13260	1.3
187.14778	0.9
201.11186	25.8
208.96552	0.7
261.22104	4.4
263.16968	0.7
283.17297	1.0
290.86322	0.8
316.17072	0.9
335.25739	25.9
338.92191	0.8
461.32666	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	496.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.2
55.05505	18.6
57.03426	18.4
57.07058	3.1
59.04995	5.2
61.33846	1.1
67.05494	100.0
69.07058	6.8
71.04982	1.8
79.05478	36.9
81.06594	2.3
81.07041	37.9
83.08617	8.3
85.06553	1.8
85.66100	1.3
89.06024	1.5
91.05461	20.2
92.08591	2.7
93.07030	36.0
95.04958	2.9
95.08585	21.4
99.22488	1.3
105.07019	10.5
107.08577	10.9
109.06540	1.4
109.10151	62.1
111.08096	1.4
119.08578	10.8
121.10132	14.0
126.40578	1.3
131.08560	5.7
133.08609	1.9
133.10155	4.8
135.11678	6.5
137.09630	1.9
145.10091	2.9
147.11670	2.3
149.13249	1.9
155.10585	1.4
159.11676	2.1
173.11739	11.6
173.13138	3.2
195.63571	1.1
215.17902	7.6
229.14333	37.8
233.18988	7.9
283.17505	2.0
307.22632	37.3
403.67636	1.2
456.59735	1.5
461.32462	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.6
57.03419	1.4
57.07063	2.1
67.05494	7.9
69.07055	12.3
71.08614	1.4
79.05489	6.7
79.14650	1.2
81.07048	17.5
81.29042	1.2
83.08614	9.3
91.05463	9.5
93.07012	5.9
95.04942	3.1
95.08591	8.6
97.10152	1.7
102.73624	1.5
105.07082	1.6
107.08598	2.3
109.06490	1.9
109.10164	3.2
116.41493	1.3
119.04950	1.9
133.02840	3.1
133.10133	1.7
135.04445	1.5
135.11688	2.0
137.05968	3.0
137.09674	1.4
146.03593	2.2
147.04456	2.0
148.05243	1.9
151.07553	6.6
155.07048	2.0
164.04652	10.5
165.05490	1.9
167.06993	7.1
175.03941	1.6
179.07001	100.0
180.63799	1.4
181.08582	3.2
183.06599	4.4
187.13304	2.0
192.04094	10.3
197.08113	2.6
205.08624	2.0
207.06508	27.4
209.08272	2.0
225.07564	9.3
237.22035	2.7
275.19992	2.4
359.34552	1.4
397.28186	1.6
433.29239	2.0
461.29007	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	496.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
59.48326	0.3
65.03901	0.4
67.05475	1.7
69.07042	1.6
78.11609	0.4
79.05463	0.6
81.07012	1.2
83.08594	0.7
85.10155	0.6
89.06017	0.4
91.05462	17.1
93.07009	1.9
95.04951	0.5
95.08562	0.5
97.10123	0.3
97.72591	0.3
103.05464	0.4
104.02573	0.4
104.12180	0.3
107.08558	0.5
113.09634	0.4
118.04130	0.8
119.04918	25.5
121.02824	0.8
121.10090	0.4
122.03651	0.6
129.03331	0.6
132.02052	3.4
133.02885	0.5
134.03546	0.5
136.05147	0.6
143.62990	0.4
145.02844	1.8
146.03622	3.9
147.04396	30.4
148.05235	0.5
148.66832	0.3
149.02316	2.1
150.03113	0.8
151.07513	0.7
157.03928	0.5
160.01530	9.1
162.03096	3.3
164.04591	5.4
165.12779	0.5
174.03081	1.9
175.03871	56.2
176.04579	0.9
178.02591	4.4
179.06987	9.9
192.04153	10.6
193.04932	2.2
200.02878	0.4
207.06500	100.0
208.06911	0.6
295.22537	0.7
495.43570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3393
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.15683	0.1
55.05503	0.4
56.05020	1.2
57.03414	1.1
57.06806	0.3
57.07064	5.0
58.06591	1.2
60.08152	22.3
66.01216	0.2
67.05482	1.0
69.07054	1.0
70.06584	0.2
71.07356	8.1
71.08611	2.3
75.76794	0.2
75.99753	0.2
79.26626	0.2
81.07034	1.4
82.90969	0.2
83.08593	1.0
85.10153	1.6
86.09691	73.8
87.68036	0.2
92.08773	0.4
95.08582	1.8
98.98449	4.7
104.10726	100.0
109.10137	0.8
123.11692	0.3
124.99982	41.2
135.40887	0.2
143.01039	0.8
163.01523	0.5
170.36465	0.2
184.07307	99.5
185.07643	0.3
258.10971	1.1
299.25922	0.3
313.27353	2.3
419.25473	0.3
478.32880	7.3
496.33878	33.5
497.34482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75177	2.0
53.00287	2.3
55.05501	16.1
57.07067	32.1
67.05495	9.9
69.07058	26.8
71.08616	26.2
79.05459	3.7
80.25795	2.3
81.07047	13.2
83.08607	13.4
85.10159	11.3
93.07040	2.7
95.08589	13.4
97.10156	11.5
99.04453	4.3
105.07001	4.3
107.08572	3.7
109.06503	12.6
109.10154	4.6
121.10114	2.7
123.08073	10.4
125.05975	13.5
127.07530	15.9
135.08011	3.2
139.07516	100.0
177.09076	4.8
259.95673	3.0
347.33063	5.2
417.37299	3.5
445.36719	26.8
477.39301	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	495.295
Annotation	Herkesterone
Peak:m/z	Relative Intensity
53.00279	1.0
53.03942	7.0
55.01867	6.1
55.05508	35.8
57.02629	1.1
57.03432	26.6
63.27339	1.0
65.03938	1.6
67.05495	48.9
69.03423	8.9
69.07055	12.8
69.66807	1.0
71.04988	7.6
79.05478	51.8
81.03403	100.0
81.07042	49.6
83.04966	27.1
83.08612	32.8
85.02895	52.6
85.06538	1.6
91.05464	65.2
93.07024	34.9
95.04951	36.6
95.05501	1.9
95.08584	20.7
97.02873	2.6
97.06527	8.3
97.10177	6.4
99.08091	1.6
103.05473	2.3
105.04500	1.4
105.07019	42.9
107.04944	13.8
107.08568	13.5
109.06532	9.8
109.10172	6.8
111.04453	1.6
111.08073	12.1
112.13156	1.1
113.06013	5.7
115.05452	2.0
117.07018	5.5
119.08575	32.3
121.06493	2.5
121.10133	19.4
123.08070	5.8
123.11681	2.4
125.09641	4.9
129.06978	24.8
131.08546	19.9
133.06517	8.1
133.10121	14.7
137.09602	1.6
137.66809	1.2
142.07793	4.8
145.10164	4.7
147.08067	5.9
147.11693	25.7
149.09618	8.7
155.08551	1.6
157.10133	25.4
165.12773	2.7
175.11169	19.8
193.12215	42.6
211.13261	50.1
264.64502	1.3
267.15897	27.1
285.16965	10.2
385.23785	2.8
459.27200	15.2
477.28513	19.1
495.29712	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01867	9.1
55.02094	1.0
55.05507	49.9
55.88036	1.0
57.03429	5.2
67.05492	39.0
69.03416	2.1
69.07049	12.6
79.04999	1.4
79.05476	40.8
81.03417	1.9
81.07043	29.8
82.22320	1.1
83.04967	2.5
83.08601	27.3
91.04900	1.9
91.05461	40.7
92.08582	1.1
93.07011	18.5
95.04956	6.4
95.08581	10.7
97.10147	43.7
103.05460	18.2
105.07018	28.7
106.72617	1.1
107.04941	4.5
107.08578	21.8
109.06519	2.4
109.10165	6.3
111.08080	1.9
115.05440	11.8
117.06998	52.2
119.04916	1.7
119.08557	12.3
121.06483	4.3
121.10166	2.8
125.09605	31.7
128.06213	2.5
129.06989	20.9
131.04897	1.4
131.08540	36.4
133.06473	7.9
133.10104	4.8
135.07999	9.0
141.07005	13.1
142.07777	1.4
143.04947	1.6
143.08566	14.2
145.06468	15.5
145.10078	14.3
147.07997	2.6
147.11687	1.4
149.09636	2.5
152.28802	1.2
153.07028	1.7
153.09070	2.2
154.07773	1.7
155.08533	16.0
157.06511	5.8
157.10147	6.4
159.08057	7.6
159.11694	2.4
167.08592	6.2
169.10123	12.7
171.08032	5.3
171.10255	2.2
171.11691	7.6
173.11794	1.1
173.13199	1.5
179.08406	1.4
181.10040	4.6
182.10869	1.4
185.09578	2.5
185.13144	2.0
187.14751	9.7
189.11206	13.6
189.12717	2.1
193.10043	1.5
195.11697	4.5
197.09714	1.6
197.13213	13.3
199.11185	1.8
209.13173	2.0
209.64839	1.3
213.12810	2.3
215.14273	38.1
219.11630	1.3
221.13091	1.2
225.12683	1.3
227.12688	23.5
233.15338	1.7
237.12575	1.3
336.12598	1.3
339.23190	2.6
349.21548	5.5
367.22589	16.5
385.23544	12.0
403.24457	2.8
415.06747	1.5
441.26263	50.6
459.27307	100.0
477.28342	12.8
494.28836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
56.05017	0.3
57.03416	0.2
58.06581	0.2
60.08149	8.9
67.05486	1.0
69.07059	1.0
71.07355	3.3
79.05479	0.4
81.07033	0.8
83.08591	0.7
86.09689	46.8
93.07014	0.4
95.08582	0.4
97.10143	0.3
98.98446	3.7
103.00753	0.2
104.10722	3.7
105.06891	0.2
109.10110	0.2
121.10094	0.2
124.99978	34.8
134.62311	0.2
143.01035	0.7
145.06409	0.2
166.57051	0.2
184.07304	100.0
185.07565	0.2
202.12268	0.2
249.73820	0.2
271.96695	0.2
308.19305	0.2
349.22125	0.2
414.87061	0.2
476.30981	0.9
494.26645	0.2
494.32401	3.1
519.25806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
57.03439	0.3
57.07061	0.6
60.07863	0.4
60.08153	9.2
67.05495	0.8
69.07042	1.4
71.07354	4.7
71.61208	0.3
79.05445	0.3
81.07030	0.7
83.08591	0.7
86.09691	51.0
91.05431	0.6
93.07060	0.4
95.08571	0.8
98.98438	3.6
104.10725	4.0
105.07015	0.6
116.99479	0.4
124.99983	35.6
133.52179	0.3
136.06190	0.5
137.05957	1.9
143.00974	0.4
149.02316	1.6
151.07521	2.5
159.87860	0.3
165.09070	1.2
184.07309	100.0
193.04897	1.3
237.07504	0.7
270.87759	0.5
284.29465	1.3
294.78918	0.4
352.81894	0.3
402.43286	0.4
476.31195	2.0
494.32428	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	493.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.9
57.03429	4.1
57.07070	100.0
57.81221	2.8
67.05492	21.6
69.07054	16.3
70.28428	2.6
71.08621	64.4
81.07045	35.5
81.98189	2.8
83.08614	16.7
85.10169	33.6
92.08614	7.7
93.07013	5.2
95.08586	47.1
97.10123	5.4
100.48032	2.8
101.43154	2.9
105.24789	2.9
107.08611	2.9
109.10161	17.5
119.08572	3.2
123.11620	4.0
137.13202	4.3
188.57291	3.7
239.23619	32.3
257.24960	3.7
313.27298	84.6
331.28253	3.6
493.42255	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	494.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.05503	2.8
57.03426	13.8
57.14073	0.5
59.04976	0.7
61.02920	1.2
63.39339	0.4
65.39561	0.4
69.03410	9.0
71.04972	88.6
73.02892	3.1
75.04460	4.5
81.03378	0.9
83.04959	10.9
85.02886	100.0
86.09719	0.5
87.04482	0.8
89.62966	0.5
91.05447	7.7
91.96923	0.5
95.04946	2.2
97.02866	4.4
97.06499	0.6
99.04420	1.1
103.03930	0.7
105.06995	0.6
109.02891	0.9
110.66306	0.5
111.04421	4.8
112.38764	0.5
119.04906	6.7
121.06502	1.1
127.03894	2.5
129.05449	24.9
137.00697	0.7
137.05951	2.7
145.04900	1.0
147.06487	12.1
149.05934	0.6
151.03839	0.6
151.07510	37.4
161.05911	0.8
163.07506	0.8
164.09099	4.2
165.09009	4.8
169.08612	1.1
175.07518	2.2
177.09033	0.6
179.06992	1.3
181.08592	0.8
189.09126	1.9
193.08533	5.1
201.09018	0.6
205.08603	1.1
217.08623	2.3
235.09612	3.4
255.08591	1.2
261.11172	6.7
261.15735	0.5
277.10428	0.6
279.12207	2.7
280.01538	0.5
309.11682	1.2
313.78906	0.6
402.61429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80024	1.8
55.05501	16.1
57.03426	14.2
57.07066	100.0
61.02924	3.4
62.09788	2.2
67.05486	29.4
69.07056	26.0
71.08617	65.6
75.04450	3.6
76.13531	2.3
76.55670	2.1
79.05472	5.4
81.05070	2.1
81.07039	37.7
82.50742	2.2
83.08604	30.4
84.69277	2.1
85.10162	32.4
91.05428	3.8
93.07009	3.4
95.08586	51.5
97.10163	10.8
98.98446	10.5
107.08556	3.1
109.10143	20.8
118.98928	2.4
119.04914	6.0
119.44350	2.5
123.11708	4.8
135.11624	2.5
147.04417	27.0
155.01018	3.1
174.84097	2.3
178.43982	2.4
195.40189	2.9
239.23633	28.7
257.24548	4.4
258.50284	2.5
313.27347	95.8
331.27936	3.9
334.36774	2.7
339.28827	13.9
353.30334	3.3
405.93832	2.5
472.72232	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	493.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63063	1.7
53.00310	2.1
55.05496	13.8
56.83893	1.8
57.03421	8.3
57.07066	99.2
60.55931	1.7
64.41625	1.7
67.05495	23.3
69.07040	16.0
71.08237	2.7
71.08614	68.8
71.96584	1.7
73.98715	1.8
74.40524	1.6
78.37505	1.7
79.05465	3.0
81.07035	29.9
81.50511	2.0
83.08594	13.3
85.10168	31.1
89.03883	2.6
93.06982	2.1
95.08584	53.9
97.10151	12.0
109.10153	24.4
123.11690	4.2
135.04385	10.2
136.04706	2.9
137.13237	2.6
139.07245	2.2
145.02817	7.9
146.03204	2.6
163.03862	41.2
164.04211	32.6
165.04422	14.1
170.14902	2.0
193.12985	1.6
205.30374	2.2
239.23627	30.5
257.24600	3.6
313.27289	100.0
331.28400	4.2
342.81427	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.7
55.05316	0.6
55.05509	10.8
57.03431	7.8
57.07068	95.7
61.02907	4.4
64.94452	0.6
67.05495	20.5
69.03416	1.2
69.06715	0.8
69.07056	13.8
71.04984	1.0
71.08617	65.9
72.57337	0.7
72.64581	0.7
72.77162	0.8
73.02886	1.4
75.04448	3.3
79.05482	0.9
81.07038	26.9
83.08606	17.7
85.02883	4.3
85.09657	1.2
85.10168	33.8
89.06007	3.0
91.03921	1.0
95.08584	45.0
97.02903	1.3
97.10155	8.8
99.11729	1.1
109.10144	20.2
111.11685	1.7
123.11687	7.7
136.06197	0.8
137.13268	1.6
147.04401	1.1
151.14841	0.8
175.03920	1.2
221.22594	1.7
239.23645	28.6
257.24670	3.9
300.72726	0.8
313.27310	100.0
331.28381	3.9
368.42697	0.8
475.32446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.55865	0.6
55.89901	0.6
56.05033	1.1
60.04531	1.2
62.23637	0.7
63.57282	0.8
69.03424	3.3
70.06570	1.3
71.82254	0.7
72.08143	1.2
74.07206	0.7
81.03403	3.4
82.06543	1.2
84.04488	17.0
96.04472	15.7
97.02870	3.0
98.06042	8.9
99.04414	1.4
101.10304	0.7
102.05511	6.1
109.02877	4.1
116.07063	6.8
126.05502	18.7
127.03902	0.9
130.04970	6.5
133.06488	0.9
138.05482	100.0
144.06538	25.4
148.06027	17.7
168.06534	12.1
186.07574	10.5
210.51187	0.7
214.83847	0.7
230.10252	1.0
258.09784	1.0
262.43060	0.8
291.11850	6.5
301.13895	11.8
309.25092	0.9
315.50842	0.8
326.70724	0.9
329.13388	24.7
476.18719	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	493.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
57.03434	0.9
57.07064	0.5
65.03915	0.8
67.05486	0.9
69.07058	1.7
71.08611	0.2
79.05471	0.5
81.07040	1.3
83.08599	1.0
91.05463	10.3
92.09299	0.2
93.07018	0.7
95.08598	1.2
96.50802	0.1
97.06507	0.2
97.10168	0.5
98.98435	0.6
105.07017	0.2
107.08598	0.2
109.10106	0.2
111.11648	0.1
119.04925	32.2
119.87197	0.1
120.05283	0.2
121.10117	0.4
125.09516	0.1
132.71704	0.1
133.06451	0.1
133.46054	0.1
134.06012	1.0
135.06366	0.1
135.11642	0.2
146.07671	0.1
147.04393	100.0
148.04742	0.9
155.01025	0.4
165.05441	1.6
174.98599	0.1
221.08003	0.6
272.32098	0.1
276.23935	0.1
329.26849	0.7
339.28699	0.7
388.60907	0.1
475.30469	7.4
476.30637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23307	0.1
55.05503	0.7
55.41385	0.1
57.03423	0.2
57.07077	0.2
58.30721	0.1
58.44332	0.1
60.09848	0.1
65.03933	0.5
67.05495	0.5
69.07061	0.7
69.07362	0.1
70.73584	0.1
73.78131	0.1
79.05455	0.3
81.07032	0.7
83.08599	0.2
85.13476	0.1
91.05460	11.3
92.08699	0.1
93.07013	0.4
95.08569	0.4
98.15908	0.1
98.98453	0.2
107.08598	0.2
109.67007	0.1
119.04921	36.4
120.05254	0.2
121.10115	0.2
128.44513	0.1
135.11682	0.1
147.04388	100.0
148.04712	1.0
162.59561	0.1
165.05440	0.7
201.86667	0.1
221.08067	0.8
224.36261	0.1
329.26901	0.2
475.30478	4.4
493.35031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01867	4.8
57.03426	5.3
61.02917	1.8
65.03955	1.1
65.11811	1.0
69.03425	14.8
70.06571	2.0
71.04968	1.4
73.02894	1.0
76.02209	5.0
78.50002	1.1
79.05481	6.3
81.03400	2.7
81.07055	1.5
84.04486	1.4
84.08155	1.2
85.02893	29.6
85.06554	1.7
91.05470	24.9
92.09321	2.4
92.31945	1.1
93.07056	2.1
94.04158	2.4
95.04971	6.9
97.02886	7.4
97.06510	1.2
99.04430	1.7
103.05465	7.4
105.07005	10.1
107.04950	21.0
109.02832	1.3
109.06512	5.6
111.04440	2.2
115.05481	2.0
116.01669	1.4
117.03369	1.2
117.07014	4.4
119.04929	18.0
121.06486	10.2
121.10141	1.8
122.03645	7.5
123.08051	2.5
127.03908	2.5
128.06230	2.4
129.05475	1.3
129.06981	13.4
131.04909	7.4
131.08577	2.7
133.02834	1.6
133.06473	5.5
135.08066	7.4
136.05174	4.7
137.05965	100.0
141.06927	1.2
143.04930	1.6
145.06491	5.3
146.03638	1.5
147.04414	2.7
147.07936	2.2
149.05991	13.9
151.03879	2.5
151.07530	75.8
152.06230	1.5
157.06485	14.4
159.04387	2.0
161.05951	26.9
161.09599	5.0
163.03883	1.4
163.07513	28.4
165.05734	1.2
165.06952	9.4
165.09114	4.3
167.08533	15.9
169.06546	1.9
174.06752	5.6
175.07516	13.0
177.05493	1.8
177.09137	5.2
178.07785	6.5
179.08549	3.6
181.06447	4.6
182.07248	1.9
185.05949	1.6
187.07661	1.9
188.08212	1.4
189.09108	30.2
193.06470	5.2
193.10146	7.3
195.08022	26.9
195.09949	2.0
196.08752	1.3
197.06067	4.6
203.06981	1.7
203.08672	1.5
206.07350	1.6
207.08287	1.7
207.10175	7.4
209.06129	1.4
209.09721	1.4
210.06760	5.2
211.07491	2.3
212.08345	5.0
213.08943	1.4
213.92522	1.1
219.08119	1.3
221.06111	8.7
221.09628	10.8
222.06786	1.3
223.07501	14.0
224.08342	5.2
225.09125	11.2
227.07083	1.4
227.10628	26.8
235.07545	1.7
237.09059	2.2
238.06230	2.3
239.07021	1.2
239.10475	1.2
240.07727	2.8
241.08604	2.0
243.10101	1.4
243.12428	1.3
248.08064	1.5
249.09056	5.6
253.08536	15.5
253.12135	14.0
255.10144	18.4
261.08896	1.5
261.11261	1.4
261.13885	1.3
265.08566	5.1
267.10190	6.7
269.08035	4.9
269.11298	1.2
270.08817	1.6
272.10367	1.4
279.10147	1.5
281.08450	1.4
281.11649	2.2
284.10324	1.8
285.11139	17.9
287.12775	31.8
291.09894	1.3
293.11832	1.1
295.09695	1.5
297.11133	2.1
299.12894	4.8
309.11191	1.9
311.12808	4.3
313.14227	24.2
321.11133	1.3
331.04126	1.3
331.11423	1.4
331.15347	44.1
331.19104	2.2
341.13846	2.2
343.15253	7.9
345.14661	4.5
346.14871	2.5
355.15286	1.5
429.02365	1.2
493.29437	1.6
519.11322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60879	1.2
55.86451	1.2
61.02909	1.4
65.03918	1.6
67.05521	1.4
69.03416	8.6
71.04990	1.6
72.08110	1.5
74.45107	1.5
74.62186	1.3
79.05495	2.0
81.03399	2.8
81.68407	1.2
85.02888	24.8
86.09682	1.5
91.05463	27.0
95.04964	7.4
95.08616	1.6
97.02876	8.0
97.06467	1.7
98.97598	1.7
103.05452	3.5
105.07034	6.1
107.04951	6.4
109.02904	1.8
109.06516	6.2
113.87343	1.5
119.04942	19.1
120.08047	1.9
121.06490	7.7
122.03629	7.0
127.03875	1.5
128.06200	2.3
129.06967	17.1
129.46887	1.5
131.04938	6.5
133.06470	3.0
135.08052	8.1
136.05209	2.1
137.05960	100.0
145.06474	2.0
147.04469	1.6
148.05272	1.4
149.05952	10.8
151.03944	3.2
151.07529	81.8
152.06215	1.7
157.06487	11.5
159.08133	1.8
161.05946	21.5
161.09599	3.3
163.07503	23.4
165.06970	8.7
165.09082	2.8
166.07697	1.7
167.07275	1.9
167.08539	14.8
169.06487	1.6
174.06767	7.8
175.07501	9.8
177.09193	1.9
178.04913	1.6
178.07736	6.6
181.06645	1.8
181.50305	1.4
182.07355	1.7
187.07410	1.9
189.09117	29.0
191.08652	1.3
193.06474	9.6
193.08426	1.7
193.10162	8.7
194.07344	3.4
195.08025	29.5
196.08817	1.9
197.05927	3.1
203.08577	2.1
206.07281	2.2
207.10118	5.3
209.09610	5.5
210.06732	8.6
211.07542	7.4
212.08310	7.2
221.06015	10.3
221.09558	11.4
222.06641	2.7
223.07494	9.0
224.08211	2.6
225.09024	10.0
227.07100	3.0
227.10648	31.1
227.12633	2.2
237.09253	2.0
238.06194	3.3
239.10600	2.2
240.07722	2.8
248.08400	1.7
249.09081	7.0
252.07817	2.5
253.08594	16.9
253.12114	20.1
255.10127	26.1
261.09052	1.7
264.07962	1.6
265.08545	2.9
267.10147	9.2
269.07977	7.9
272.10522	2.7
281.11707	6.8
284.10123	1.8
285.11160	16.7
287.12704	34.7
299.12811	1.8
309.11060	1.9
311.12906	2.8
313.14233	25.9
331.15378	55.1
343.15405	7.9
379.64215	1.8
424.96176	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13495	0.3
55.05494	0.3
60.04994	0.3
62.52547	0.3
79.05456	0.3
84.60252	0.3
91.05481	0.6
92.09383	0.4
93.07014	0.4
95.08592	0.5
103.05447	0.6
105.07034	0.7
119.04999	0.4
119.08588	0.4
122.03629	0.5
131.04883	1.4
135.11838	0.3
137.05966	5.4
146.99530	0.3
151.07539	1.2
155.10962	0.3
163.07491	0.7
169.04736	0.5
175.07579	0.4
185.04205	3.0
186.06573	0.5
187.04582	0.3
208.05798	0.4
222.41203	0.4
226.06677	0.4
227.05165	1.5
265.08945	0.4
267.08496	0.4
329.08377	2.2
349.12802	3.6
391.13605	0.4
431.16650	7.4
433.14566	5.1
493.16727	100.0
494.17096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.4
56.05027	5.9
56.96560	19.6
67.05482	1.5
67.68320	0.9
69.03403	1.7
69.07051	6.0
70.06578	2.0
70.19184	0.8
71.04966	4.7
72.08131	7.4
74.06059	1.7
79.01724	1.0
81.03426	1.2
81.07044	1.6
84.08130	2.1
84.95993	7.9
85.02888	7.3
85.74451	1.1
86.09689	1.3
93.07025	4.5
95.04944	1.8
97.02869	1.0
97.96776	5.9
98.42429	1.0
98.97562	100.0
99.04439	16.8
100.04779	1.1
105.07005	2.1
107.08572	1.5
109.10146	4.8
110.97557	15.8
112.99112	7.6
115.97787	2.5
116.98600	70.6
121.10135	12.2
122.10522	1.8
124.99091	1.5
127.08673	1.7
128.98595	26.2
129.05434	1.1
131.00143	15.6
133.98882	1.1
134.99638	31.6
135.81934	1.0
137.05963	2.5
139.11153	2.6
140.98546	2.3
143.00154	16.3
144.98117	2.3
146.99638	18.3
149.01234	14.7
152.98595	2.3
153.00656	1.7
157.98909	2.3
158.99622	42.5
161.01196	32.8
162.99103	5.4
163.07550	1.3
165.00685	2.5
169.01691	1.2
169.12227	1.9
170.99638	11.2
173.01181	4.5
177.00684	65.0
179.02220	5.2
185.01208	14.5
187.02765	1.5
187.99409	1.2
189.00693	11.0
191.02209	6.3
195.01775	6.2
199.07098	1.3
201.00606	1.6
203.02248	32.7
203.05849	2.1
219.01663	14.9
221.03326	7.7
221.08151	1.9
227.02252	5.1
237.02753	30.8
245.03171	8.3
255.03780	1.3
263.04327	3.9
263.06927	4.2
287.07907	9.6
295.15259	5.2
305.05450	10.2
305.08972	83.7
306.09595	1.2
323.06424	5.2
328.10443	1.2
347.10034	4.4
359.09814	9.1
362.13760	6.6
365.07617	1.7
373.11526	12.5
375.13129	1.8
415.12891	1.8
433.13797	21.5
451.14752	13.3
492.21243	1.6
493.15805	29.7
493.21951	3.0
501.03336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07764	0.5
51.68300	0.5
53.03938	1.3
54.58147	0.5
55.01863	3.8
57.03436	4.4
61.02906	3.6
62.60672	0.6
67.05482	3.2
67.32610	0.5
69.03136	0.5
69.03421	9.2
71.00432	0.6
71.04981	0.9
73.02874	0.7
79.05471	2.8
81.03397	5.3
81.07010	1.2
83.01305	0.7
85.02891	27.2
87.04462	0.5
91.05464	10.9
93.07033	1.4
95.04954	3.6
96.90016	0.6
97.02871	9.0
99.04443	0.7
103.05449	27.0
105.07024	4.7
107.04950	5.4
107.08557	0.9
109.02856	1.3
109.06503	3.2
109.10144	1.2
115.05421	3.3
117.07002	2.6
119.04922	6.5
119.08572	2.3
121.06451	6.1
122.03621	2.4
123.04414	5.0
127.03886	2.6
128.06206	20.9
131.04895	18.2
133.06468	4.1
135.04395	1.0
135.08034	4.1
137.05954	54.9
141.06972	1.1
143.08556	27.8
145.04961	2.4
145.06439	4.8
147.04424	1.3
147.08037	3.4
148.05165	7.6
149.05968	31.8
151.07526	21.7
155.06003	1.1
157.06480	1.0
160.05107	1.1
161.05962	24.8
161.09570	4.1
163.06133	0.8
163.07507	21.8
164.08287	8.8
165.09062	4.3
171.08020	23.2
174.06769	4.8
175.07390	0.8
188.08116	0.7
189.09073	55.2
203.10638	1.5
207.11681	0.9
229.14307	1.1
235.11191	2.5
245.09647	0.7
253.12279	0.7
263.10544	1.4
265.18134	0.6
267.16019	1.0
269.07919	2.8
280.10736	0.9
281.11572	0.8
284.10431	4.7
295.13220	1.2
313.14279	100.0
421.20218	0.8
421.26425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
53.28056	0.4
55.05492	2.7
57.07067	8.2
58.99565	2.7
67.05478	0.8
69.06712	0.8
69.07056	16.6
71.08617	6.3
79.05479	13.7
81.07024	0.8
87.02671	5.3
91.05460	82.1
93.07008	0.7
95.04959	1.3
97.01104	1.0
101.04160	0.6
103.05448	7.3
105.07014	79.7
106.06537	2.9
106.07806	10.4
107.08566	3.1
109.10159	0.7
121.06459	1.3
131.83093	0.5
133.06471	68.1
134.07251	43.5
135.08032	100.0
137.04179	4.6
143.08861	3.5
146.07199	0.6
151.07527	26.2
159.08060	0.9
161.09569	0.9
164.02927	0.7
165.03664	67.0
166.07796	0.7
167.05225	10.4
173.09624	0.8
179.03616	0.6
179.05208	18.4
181.10057	4.6
183.04753	2.4
198.12753	40.3
262.77316	0.5
265.20572	0.5
277.16147	20.9
295.17212	89.5
330.18439	1.0
351.28607	0.9
356.53879	0.5
361.30386	0.7
387.94296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42256	0.5
53.03927	0.7
55.01851	3.5
55.05473	0.8
57.03419	1.8
61.02903	4.8
63.13749	0.7
67.05483	1.1
69.03412	9.5
71.04993	0.7
73.02895	0.9
79.05483	3.0
81.03395	4.6
81.07042	1.5
85.02890	27.0
87.04462	0.7
91.03937	1.1
91.05464	10.5
93.07021	1.5
95.04948	1.4
95.08563	0.9
97.02867	10.2
99.04407	1.2
102.04652	0.7
103.05450	26.4
105.07008	4.7
107.04927	3.3
107.08571	1.2
109.02846	1.6
109.06516	3.3
109.10128	1.6
115.05444	4.8
117.06981	3.7
117.73869	0.7
119.04932	6.1
121.06483	3.2
122.03628	1.3
123.04378	7.3
127.03880	4.3
128.06198	18.9
129.06892	1.0
131.04897	15.0
133.06470	4.7
134.34090	0.9
135.08026	4.0
137.05956	43.8
141.06973	1.1
143.04938	0.9
143.08553	12.4
145.04968	0.9
145.06456	4.8
147.04393	9.7
147.08061	1.5
148.05177	23.9
149.05946	10.2
151.07526	19.5
153.05504	0.9
155.05965	1.1
157.06416	0.8
160.05159	1.0
161.05963	20.1
161.09604	3.7
162.06656	0.9
163.07507	28.7
164.08287	8.7
165.09140	6.1
167.60014	0.7
171.08014	17.2
174.06696	2.9
175.07550	0.9
189.09076	40.2
190.69228	0.8
192.50960	0.8
194.18599	0.8
197.05861	1.5
201.09032	0.8
211.07503	5.8
221.06023	1.4
223.07558	1.3
225.05423	1.1
225.09081	0.9
229.08568	3.9
239.06963	6.2
240.07675	1.3
241.08453	0.9
243.06180	0.9
245.07971	1.4
254.09334	4.0
255.10066	1.8
257.08069	7.6
258.04697	0.8
271.09717	0.9
272.10382	29.3
284.10315	1.0
313.14285	100.0
418.67120	0.9
492.13446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.0
57.03429	1.2
57.07028	0.9
61.51564	0.8
63.62128	0.8
67.05474	5.3
69.03411	3.8
69.07030	1.9
72.09612	0.9
79.05445	1.6
81.03395	2.0
81.07021	3.8
83.08566	1.4
85.02865	3.8
91.05461	2.2
93.07014	3.9
94.95694	0.9
95.04940	1.0
95.08550	1.8
97.02837	1.5
105.03128	1.9
105.06993	1.6
109.10089	1.4
117.27609	1.0
135.11690	1.1
137.05991	1.6
169.40718	1.0
187.10983	1.4
213.40466	1.3
316.20218	1.1
317.20740	1.7
329.26697	1.3
384.01758	1.0
429.22787	1.0
473.21378	21.2
491.22302	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	491.2249
Annotation	Sudachinoid A
Peak:m/z	Relative Intensity
52.63907	0.8
55.05487	2.2
56.43032	0.9
61.02892	0.9
63.32116	0.8
67.05472	2.4
69.03410	1.0
79.05482	2.1
81.03394	1.4
81.07026	2.1
83.08588	1.1
85.02874	1.0
89.58196	0.9
91.05429	2.2
95.08541	1.2
105.03114	2.3
105.06973	1.1
107.04941	1.4
109.10095	1.8
121.10156	1.1
241.79240	1.0
265.82050	1.1
283.15298	1.1
287.15982	1.3
289.60211	1.1
317.20795	1.6
347.69849	1.0
456.91153	1.2
473.21405	24.2
491.22269	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	490.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15852	2.2
53.03928	5.1
55.01864	4.4
55.05509	31.8
57.03423	5.8
57.07058	16.3
59.04979	3.2
67.05499	33.7
67.30727	2.4
69.03421	20.2
69.07053	21.3
71.04977	63.9
72.36476	2.4
79.05460	18.0
81.03388	5.0
81.07043	45.6
83.04940	5.4
83.08589	11.7
85.02902	25.4
85.06524	100.0
87.04458	3.3
91.05470	29.2
93.07027	56.5
95.04942	5.3
95.08099	3.5
95.08594	60.0
97.02877	6.7
97.06490	6.2
99.04446	6.0
99.08038	13.9
101.05988	7.1
105.07019	73.1
107.08572	44.7
109.02843	4.3
109.06495	5.9
109.10165	25.6
111.08083	23.1
113.09630	26.6
117.06984	18.0
119.08556	58.3
121.06514	6.1
121.10123	23.3
122.05888	3.2
123.08008	13.0
123.11689	5.6
125.09602	15.0
127.03913	3.2
127.07554	6.1
128.06128	3.2
129.06976	11.3
129.09048	21.4
131.07056	4.9
131.08524	46.2
132.05557	3.2
133.10110	47.5
135.07997	5.0
135.11697	14.4
137.05960	15.2
137.09657	3.8
139.11194	3.4
141.06953	3.0
142.07784	3.9
143.08551	36.6
145.06430	2.7
145.08589	52.6
145.10106	66.5
147.08086	5.7
147.11668	26.3
149.09593	5.6
151.03879	4.4
151.11171	5.8
153.05434	3.1
157.10075	34.9
159.11633	30.7
161.09633	6.1
161.13226	6.9
163.07608	3.9
163.11163	19.3
169.10126	4.6
171.11603	24.7
173.13200	21.9
175.11163	3.2
175.14754	5.0
183.11690	12.5
185.13242	6.3
187.14761	26.9
197.13197	5.5
199.14795	17.4
201.12778	12.0
201.16281	4.0
215.14143	3.1
217.15843	3.9
219.13765	5.0
227.17906	12.6
229.19441	6.2
245.18892	24.9
257.19006	34.5
263.20032	5.7
275.19974	58.6
293.21063	92.3
311.22086	5.7
466.81482	3.3
489.33640	5.7
490.23083	5.8
490.34445	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	490.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15639	1.4
52.34157	1.3
53.03929	6.4
55.01862	9.0
55.05505	25.6
57.03428	6.3
59.68560	1.3
60.01705	1.5
61.02943	1.3
67.05498	46.2
69.03424	11.5
69.07063	21.3
70.85118	1.3
71.04968	3.3
79.05482	38.4
81.03397	29.1
81.07042	100.0
83.04959	7.2
83.08611	13.9
85.02891	13.1
85.06540	2.7
85.47568	1.8
91.05466	34.2
93.07024	32.5
95.04948	9.8
95.08588	25.1
97.02886	9.6
97.06516	8.5
97.10168	2.6
99.04443	7.2
99.08089	2.3
105.07011	35.1
107.04937	13.0
107.08572	21.6
109.02879	16.5
109.06518	27.5
109.10143	16.8
111.04383	1.7
111.08056	3.6
117.06986	11.4
119.08564	27.8
121.06478	6.6
121.10132	15.1
123.08048	8.8
123.11684	7.6
124.17011	1.4
125.09628	1.8
127.03883	14.1
131.08569	17.0
133.06470	2.8
133.10120	25.9
135.08038	8.0
135.11671	8.2
136.06271	1.7
137.05971	2.4
137.09622	7.0
143.08600	2.9
145.10146	13.5
145.32034	1.6
147.08044	1.8
147.11679	23.5
149.09599	14.7
149.13181	5.8
151.11172	2.4
157.10123	3.5
159.08020	1.6
159.11636	10.2
161.13226	2.4
163.11151	9.3
165.12737	8.2
173.09543	2.7
173.13200	3.2
177.09055	1.6
177.12767	2.7
187.11165	1.6
210.80203	1.6
219.10098	1.7
225.94928	1.4
229.19518	2.0
247.20448	2.2
257.18936	6.6
265.14349	1.9
275.20023	74.0
293.21066	41.0
383.21982	2.7
401.23175	7.5
419.24347	11.3
437.25412	16.9
455.25946	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	489.3185
Annotation	Ser Val Lys Arg
Peak:m/z	Relative Intensity
55.05499	1.0
66.48527	0.8
67.05476	2.5
69.07038	1.4
79.05467	2.1
81.07027	5.0
91.05473	1.8
93.07011	1.3
95.08576	1.7
105.06974	1.6
107.08566	1.4
109.10123	1.4
119.08591	1.2
195.09869	2.6
317.20776	1.5
489.31619	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	489.3573
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.56856	5.2
53.03944	4.9
55.05502	27.8
57.03419	8.4
63.68106	4.8
64.48283	4.8
67.05499	60.0
69.07047	23.7
76.41670	5.4
79.05481	42.2
81.07034	43.3
82.37322	5.7
83.08585	9.4
91.05450	43.0
93.07030	55.7
95.08578	36.0
97.10148	7.2
102.63403	5.5
105.07050	45.5
107.08578	13.1
109.10135	26.2
110.90395	6.6
117.07017	9.9
119.08562	34.5
121.10102	10.6
129.06944	7.5
131.08548	35.2
133.10083	22.8
145.10136	21.8
147.11670	6.9
157.10100	11.1
159.11694	13.2
168.54385	6.8
217.58540	5.9
246.72520	7.1
258.85703	7.3
397.30682	10.9
455.39664	7.0
471.34381	7.8
489.35413	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55987	0.3
53.03940	0.6
54.31395	0.3
55.01859	0.5
55.05510	2.8
57.03428	14.2
57.07067	2.4
59.04976	0.8
59.73686	0.3
61.02637	0.4
61.02919	2.1
67.05493	3.7
69.03423	2.4
69.07042	0.8
70.06564	0.5
71.01342	0.9
71.04976	88.1
73.02909	2.5
75.04459	4.3
79.05480	0.8
81.03402	0.9
81.07039	1.4
83.04964	7.2
85.02890	100.0
85.06528	14.1
87.04476	2.9
91.05457	1.6
91.18042	0.3
93.07021	2.1
95.08572	3.4
97.02856	3.7
97.06487	0.5
99.04448	2.0
105.07005	5.1
107.08582	2.6
109.02856	0.5
109.06503	0.6
109.10138	0.7
111.04440	2.8
113.09627	9.6
119.08547	3.3
120.92321	0.3
121.06453	0.5
121.10131	1.5
123.04422	0.5
123.08055	0.5
124.05219	3.3
127.03882	2.1
127.04822	0.4
129.05449	26.3
129.06973	0.8
129.09131	0.5
131.08546	2.4
133.06473	2.2
133.10080	2.6
137.05942	4.1
142.07802	0.6
143.08536	1.5
144.09171	0.3
145.04927	2.2
145.10089	4.4
146.08087	0.7
147.04601	0.4
147.06506	9.6
147.07941	0.6
147.11664	1.4
156.09294	0.5
157.10094	2.7
159.11662	1.9
163.11195	0.4
164.09183	2.4
165.09070	6.5
169.10092	0.6
171.11679	1.4
173.13309	2.6
175.07365	0.3
180.08720	0.4
183.11633	3.5
185.13243	0.4
189.09108	0.4
197.13297	1.5
199.14784	1.9
201.12695	0.7
201.16336	0.6
239.17871	0.8
255.08617	0.4
257.18958	3.1
275.19983	2.6
293.21063	1.8
297.28464	0.4
406.46094	0.4
490.22855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
55.05312	1.5
55.05505	22.9
57.03426	4.4
57.07068	15.8
57.28161	1.6
58.01780	1.8
60.25774	1.4
65.03914	2.1
67.05489	95.5
69.03421	2.3
69.07053	25.1
69.25019	1.6
71.04961	3.2
71.08614	2.5
79.05474	26.3
81.07037	100.0
82.07372	3.0
83.08598	20.6
85.02853	2.8
85.06540	4.3
85.10223	2.1
86.04245	2.1
90.03718	1.6
91.05457	33.4
93.07018	38.2
95.08583	84.9
96.08884	2.2
97.06510	10.6
97.10154	7.6
99.08070	8.2
104.60214	2.1
105.06998	22.8
107.08588	20.8
108.72092	2.1
109.10137	28.7
111.08056	3.1
111.11738	1.7
113.09612	2.6
119.08572	17.7
121.10125	25.2
123.11689	31.6
133.10101	26.6
135.11644	16.8
137.09610	3.0
137.13228	10.9
147.11665	12.1
149.13310	6.2
151.11200	3.4
151.14847	3.1
161.13206	9.7
175.14801	3.3
187.13258	29.2
188.13583	11.8
217.19481	30.3
231.17577	2.2
235.20483	30.2
244.16982	1.8
249.18381	15.1
250.18741	8.7
285.20453	2.2
309.24176	9.2
466.71820	2.3
494.98279	1.9
510.31985	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01871	1.4
55.05509	22.1
57.03424	12.9
57.07071	15.5
60.37457	0.8
61.02919	4.1
67.05494	90.9
69.03416	2.2
69.07056	26.2
71.04974	1.5
71.08617	4.0
73.02914	1.2
79.05474	27.0
81.03397	1.1
81.07040	100.0
83.04317	1.1
83.04965	1.6
83.08609	12.1
85.02889	2.3
85.06527	7.0
85.10191	1.5
91.03927	1.4
91.05466	29.0
92.08782	1.3
93.07025	33.8
95.04951	3.9
95.08587	75.5
97.06513	6.6
97.10126	6.1
98.98431	6.6
99.08069	7.5
105.07014	19.5
107.08583	15.4
109.06464	1.3
109.10140	26.7
111.08089	2.0
113.09621	3.8
117.07000	1.7
119.08548	20.6
121.10111	19.6
123.11689	13.2
127.03890	1.1
127.11208	1.4
129.62801	1.0
131.08516	1.7
133.10109	22.1
135.11687	14.5
137.13258	10.7
147.11662	12.0
149.13252	6.4
151.14749	6.6
153.12729	1.2
155.01038	6.0
161.13240	11.4
165.12691	1.1
174.52882	1.2
175.14775	3.9
176.68491	0.9
189.16420	1.2
197.97443	1.0
217.19461	42.7
235.20526	34.8
292.12360	1.1
309.24258	20.3
335.25751	6.3
383.71793	1.3
459.15100	1.3
470.45978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	4.9
54.81586	4.3
55.01865	21.0
55.05502	34.3
57.03423	10.3
57.07056	9.6
67.05495	60.5
69.03439	6.0
69.07049	23.3
79.05480	41.4
81.03407	19.4
81.07050	61.8
83.05006	5.1
83.08624	9.8
85.02892	6.1
85.10167	23.8
91.05476	54.5
92.09305	5.5
93.07037	44.9
95.01313	18.0
95.04942	22.4
95.08587	29.7
97.06486	7.2
97.10163	8.1
105.07027	56.0
107.04948	7.7
107.08589	27.5
109.06535	7.3
109.10181	19.4
111.08070	4.7
113.09663	8.6
114.36765	4.7
117.07014	7.7
119.08566	29.6
121.10110	23.5
121.99464	5.2
123.11663	9.6
125.02335	11.0
131.08571	24.6
133.06451	8.9
133.10123	7.5
135.07832	5.8
135.11752	5.8
137.05927	5.3
143.08516	6.6
145.06508	6.6
145.10112	8.6
145.59941	4.5
147.04462	4.9
147.08064	8.5
147.11678	11.3
149.06020	5.0
151.07324	5.2
157.10172	7.4
159.08023	9.1
159.11642	7.3
161.09694	5.9
163.03851	9.4
165.12709	4.8
169.10129	6.6
173.05988	5.7
177.01897	5.1
186.76920	5.4
187.11131	5.6
187.14854	5.5
189.05507	8.2
196.25562	5.0
199.11189	4.8
203.10664	6.2
215.10641	21.6
233.11603	22.1
243.10139	25.8
261.11160	7.5
271.56433	5.1
277.21631	9.7
305.13699	6.9
314.16309	6.2
325.12689	93.5
341.61301	4.9
369.20416	8.7
387.21597	6.8
399.21469	36.5
409.25598	5.1
417.22620	100.0
435.23651	77.2
448.41800	4.9
453.24612	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39312	1.4
50.45888	1.2
53.00293	2.2
53.03942	1.7
54.05758	1.1
55.01860	9.4
55.05505	16.7
57.03423	3.2
57.06863	1.2
57.07066	19.9
60.18250	1.3
67.05494	25.4
67.78151	1.4
69.03432	4.9
69.07048	10.0
71.04972	1.8
79.05481	24.2
81.03393	9.2
81.07045	29.6
83.04975	6.2
83.08590	6.1
85.02893	3.4
85.10166	37.6
88.91846	1.6
91.05462	20.2
93.07033	20.8
95.01314	17.7
95.04942	10.3
95.08586	25.6
97.02853	3.5
97.06513	2.8
97.10190	2.2
105.07019	17.1
107.04953	9.0
107.08570	11.9
109.02844	2.5
109.06519	3.5
109.10163	3.6
111.04402	3.0
111.08091	3.3
113.02362	2.2
113.09628	17.9
117.07010	7.5
119.04909	2.2
119.08546	15.9
121.06506	3.2
121.10119	15.9
123.04389	3.8
123.08013	3.5
123.11661	2.8
125.02336	3.0
129.06990	8.4
131.04938	3.0
131.08551	13.0
133.06476	3.3
133.10097	8.1
135.04391	1.4
135.08047	1.9
135.11678	2.0
137.05945	2.2
139.11057	1.8
141.01839	2.1
141.06970	6.9
143.08562	6.6
145.06444	7.4
145.10107	7.7
147.04381	6.5
147.08032	6.3
147.11606	5.6
149.02336	1.7
149.05980	2.4
149.09604	3.3
149.13171	1.5
151.03860	2.5
151.11107	1.6
155.03355	2.5
155.08553	3.5
157.06384	2.2
157.10109	3.8
159.08069	5.9
159.11624	2.6
161.05971	2.8
161.09602	6.0
163.03853	5.8
163.07489	2.5
163.11209	1.7
165.05428	1.9
165.12724	8.1
169.10121	2.9
171.08080	2.9
171.11679	2.9
173.05978	2.1
173.09657	3.6
175.03792	2.1
175.07544	2.3
175.11246	2.5
177.05383	2.9
177.12711	2.5
185.09622	2.7
187.07523	3.1
187.11142	5.9
189.05470	2.7
189.09070	5.8
193.12231	1.9
197.09587	7.5
199.07509	3.0
201.09131	2.0
213.12608	2.5
215.10617	2.6
225.09023	6.3
229.12053	1.8
231.10146	2.4
231.13815	3.8
233.11613	2.1
243.10126	6.7
245.11716	3.0
247.13200	1.8
249.11258	2.1
253.08575	3.4
259.13318	2.8
261.11142	6.4
261.14917	1.6
263.12616	1.8
269.11642	2.7
271.09628	8.8
277.14276	10.7
277.21735	3.1
287.12769	7.6
289.10706	16.5
289.13593	2.0
305.13766	8.3
307.11691	7.2
319.22556	1.6
323.14774	3.0
325.12836	2.3
329.20999	2.2
335.22089	7.7
365.22705	3.5
371.22202	6.7
373.23651	2.8
381.20508	2.0
389.23193	2.8
391.24625	10.6
399.21518	19.0
407.24200	10.0
417.22638	57.7
425.25369	10.3
435.23691	91.7
453.24707	100.0
453.31000	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	488.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	18.1
57.03427	17.6
57.07061	4.2
58.37632	2.5
59.04956	2.6
59.09439	2.3
67.05493	26.5
67.56125	2.3
69.03407	13.7
69.07047	12.8
71.04977	12.1
79.05471	12.1
81.03402	5.4
81.07044	20.0
83.04965	12.2
83.08601	3.0
85.02889	22.8
85.06528	60.7
91.05459	14.0
93.07036	27.7
95.04973	3.8
95.08581	80.4
95.31667	2.7
97.02868	5.5
97.06503	13.0
99.04436	32.9
99.08076	18.0
105.07009	31.0
107.04948	4.5
107.08582	17.9
109.06532	3.1
109.10146	5.4
111.08070	10.4
113.09611	23.0
119.08532	28.6
121.06514	12.5
121.10158	12.4
123.08052	33.6
125.09682	3.1
129.06952	3.6
131.08531	12.1
133.06508	4.6
133.10094	26.0
135.08034	16.1
135.11688	4.2
137.05978	13.3
137.09604	5.9
141.09102	11.8
143.08635	9.2
145.06396	3.3
145.10085	29.7
147.08026	6.5
147.11679	3.7
149.09581	11.1
151.07518	6.6
151.11159	3.4
155.08627	3.9
157.10141	14.1
159.11674	16.3
161.09583	30.8
161.13304	3.2
163.03862	3.7
163.11145	6.8
165.09097	11.6
169.10100	4.2
171.11626	20.7
172.14090	2.8
173.13219	5.9
175.11084	4.6
177.12785	12.2
183.11620	3.4
185.13326	4.7
187.11086	3.5
189.12709	21.3
191.03421	11.7
191.14281	5.7
193.12187	4.1
199.11090	3.9
207.13799	15.9
213.12784	5.3
215.07123	4.7
215.14143	5.1
217.12262	19.0
227.17949	5.0
231.13788	4.2
233.08173	4.6
243.17520	4.3
255.17383	11.9
259.09573	14.3
261.18356	27.0
272.65897	3.1
273.18466	55.6
279.19644	20.8
291.19498	100.0
342.09320	3.1
488.21423	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	487.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	0.8
57.31374	0.7
67.05503	0.9
81.07014	1.1
83.45644	0.9
95.08594	1.3
99.07483	0.9
122.62216	1.1
171.30319	1.0
218.41824	1.0
297.18561	1.1
315.19357	2.0
487.30200	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	488.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39611	0.3
53.03940	5.1
55.01867	0.7
55.05510	0.4
57.03422	2.9
59.04999	0.5
60.01631	0.3
60.41918	0.3
61.02916	4.4
61.29704	0.3
69.03419	16.2
71.04979	7.1
71.05346	0.6
73.02908	5.4
78.70704	0.3
81.03404	21.9
83.01333	0.6
83.04965	0.7
85.02893	66.7
87.04449	2.0
91.03888	0.5
97.02873	49.6
99.04437	60.1
103.03925	75.9
105.07017	0.4
108.04443	0.4
109.02864	26.3
110.80590	0.3
115.03899	2.0
127.03897	100.0
128.04257	0.6
137.05913	0.4
145.04947	42.0
163.05983	19.5
169.04948	1.6
187.05968	3.2
199.06038	0.5
205.07057	0.7
231.10028	0.8
253.06979	1.6
255.10146	0.6
271.08069	7.5
273.11145	1.3
289.09067	5.2
307.10095	2.1
333.92017	0.4
389.12894	0.3
435.33380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01868	3.2
55.05508	47.2
57.03428	17.9
57.07056	12.4
59.04986	4.9
61.02922	3.1
62.37133	2.2
67.05496	42.2
69.03409	27.7
69.07043	13.9
70.06559	3.9
71.04971	9.0
79.05480	19.3
81.03397	12.0
81.07035	33.7
83.04977	25.7
83.08585	10.2
85.02893	37.4
85.06528	63.1
91.05465	20.3
93.07024	42.8
95.04942	9.3
95.08582	92.6
97.02863	4.0
97.06519	5.1
97.10143	15.8
99.08064	22.9
101.05978	4.9
105.07015	50.1
107.04968	12.1
107.08579	36.1
109.02892	2.5
109.06502	12.9
109.10168	21.0
111.00155	2.2
111.04457	4.4
111.08048	19.5
113.09615	40.4
117.07013	8.9
119.04907	3.2
119.08562	48.7
121.06462	11.0
121.10126	40.4
123.08050	49.2
123.11678	9.7
124.45802	2.3
125.09622	18.6
127.03845	2.6
127.07513	5.3
128.06201	2.3
129.07011	3.4
131.08557	23.2
133.06471	5.0
133.10114	33.5
135.08009	29.3
135.11664	7.8
137.09598	11.7
139.07524	5.0
139.11139	4.6
141.09093	20.0
143.08554	16.4
144.09354	3.6
145.04895	3.2
145.10114	31.3
146.07256	3.4
147.08047	10.9
147.11697	16.7
149.09595	16.7
149.13194	2.3
151.07542	25.1
151.11215	5.1
153.09099	3.6
155.08548	5.0
156.09363	3.8
157.10089	16.5
159.11670	23.3
161.09608	36.0
161.13211	14.9
163.11183	4.6
165.09087	36.8
167.10533	3.0
169.08647	2.7
169.10118	5.3
171.11635	25.1
173.09607	4.8
173.13246	16.2
175.11159	8.9
177.09164	9.3
177.12695	13.8
179.10661	12.0
182.10851	3.7
183.11736	2.9
185.13220	13.6
187.11172	4.3
187.14865	4.7
189.12674	18.3
191.10634	11.3
191.14275	13.7
197.13182	5.5
199.11116	3.3
199.14841	2.8
201.12663	4.9
201.16306	2.4
203.14272	12.5
205.12169	3.5
207.13750	16.7
213.12724	4.6
215.14267	16.3
217.12215	20.0
221.15280	3.5
225.16478	3.8
225.55429	2.2
227.17915	4.8
231.13756	10.2
231.17357	3.7
235.13139	5.2
243.17400	4.1
255.17317	22.7
261.18390	39.8
273.18439	93.6
279.19458	38.1
291.19504	100.0
309.20517	11.0
494.51273	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16488	0.9
53.00312	0.9
53.03934	2.2
55.01854	3.7
55.05503	22.3
57.03432	9.7
57.07059	7.1
58.79964	0.8
61.02911	6.5
65.03925	1.6
67.05493	91.3
69.03416	4.1
69.07050	13.0
71.04978	7.9
71.08588	0.9
73.02906	3.8
75.04465	1.1
79.05476	76.6
81.03413	1.1
81.07040	85.3
83.04967	2.2
83.08612	7.6
85.02893	6.4
85.06533	5.4
91.03932	2.3
91.05461	41.1
93.07026	100.0
95.04974	7.0
95.08588	57.4
97.02859	3.8
97.06520	6.7
97.10158	2.2
99.08081	4.1
105.04590	0.9
105.07018	31.6
107.04989	1.2
107.08584	47.8
109.06509	4.5
109.10152	22.8
111.08068	3.7
113.09632	1.3
115.05376	1.3
117.07004	19.1
119.08562	24.2
121.10130	47.1
123.08066	1.5
123.11677	14.3
125.09634	1.2
127.03946	1.3
129.05443	1.1
129.06992	1.7
131.08548	32.6
133.10110	22.3
135.08051	1.4
135.11671	39.7
137.09642	1.4
137.13249	1.8
143.08560	1.7
145.10120	29.8
147.11679	15.8
149.09610	3.7
149.13232	20.7
151.11177	1.8
156.90269	1.2
157.10153	1.5
159.11659	21.4
161.13275	2.2
163.11168	4.2
171.11665	1.3
173.13245	17.3
175.14777	1.1
177.12766	3.9
185.13242	1.1
187.14848	5.1
189.16383	2.1
191.17982	1.3
205.19518	4.2
205.84967	1.1
215.17909	39.8
233.18971	41.9
233.21230	2.0
251.19997	1.9
307.22598	10.4
325.23608	11.3
466.00461	1.1
469.27975	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	487.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81342	2.1
55.05501	2.5
55.30657	2.2
81.07037	3.3
89.34181	1.8
91.05474	3.2
95.04960	2.4
105.07078	2.4
107.04940	3.4
133.02800	8.4
133.10181	2.2
134.99620	2.7
137.05952	5.1
145.78497	2.5
161.05994	2.5
487.19366	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	487.2148
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05492	0.3
57.03429	0.4
61.15721	0.3
62.61843	0.3
63.12933	0.3
69.03403	0.6
70.06572	0.5
70.38166	0.3
79.05463	0.5
81.07041	0.4
85.02891	1.4
86.09698	0.6
91.05486	0.4
95.04964	0.5
96.63119	0.4
107.04943	2.7
108.05281	0.6
109.10184	0.4
110.07132	0.4
112.11274	0.3
116.98579	0.5
119.08511	0.5
131.04913	0.3
137.05968	5.2
138.06306	0.6
147.04404	0.6
203.05380	0.7
218.85701	0.4
251.12587	0.6
259.07935	1.8
268.10458	0.4
318.11703	0.4
325.16122	3.6
469.20416	2.7
487.21417	100.0
488.21439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2663
Annotation	Withametelin J
Peak:m/z	Relative Intensity
51.94438	1.4
54.81313	1.6
55.05479	1.6
56.72252	1.3
62.10332	1.4
63.01501	1.4
67.05479	3.2
69.07024	2.2
79.05443	1.9
81.07006	2.8
83.08609	1.9
95.08547	2.3
123.51160	1.8
134.99161	1.6
147.06360	1.7
149.83563	1.6
163.38849	1.5
225.51535	1.7
487.26276	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	487.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06291	1.6
53.03932	2.0
53.44267	1.6
55.01862	2.4
55.05503	24.3
57.03422	3.9
57.07062	7.1
59.27016	1.6
61.02907	9.4
61.68636	1.6
67.05145	3.7
67.05491	84.4
69.03407	2.2
69.07055	14.7
69.61746	1.8
79.05476	90.8
81.07040	87.7
82.57083	2.2
83.04932	3.2
83.08611	8.0
85.02864	6.8
85.06509	7.3
87.43645	1.7
91.05460	54.5
93.07023	100.0
95.04909	9.2
95.08013	2.7
95.08589	61.4
95.89334	1.6
97.02875	3.2
97.06549	2.0
99.08078	4.2
105.06999	33.8
106.81110	1.8
107.08575	55.7
109.10157	25.1
111.08082	2.9
117.06995	20.7
119.08559	26.6
121.10120	53.1
123.08047	2.7
123.11693	14.3
129.06989	4.1
131.08536	38.1
133.10114	23.8
135.11668	50.5
143.08543	3.5
145.10118	27.2
147.11653	14.4
149.09628	3.2
149.13229	28.1
151.11137	3.3
159.11676	23.1
161.13217	3.2
163.11110	2.0
169.10098	2.3
173.13246	20.4
173.22560	1.8
175.14777	2.7
177.12746	2.7
187.14746	4.3
205.15894	3.1
205.19351	3.3
215.17902	50.6
233.18962	44.7
288.33270	2.0
307.22513	3.2
325.23660	9.9
469.27957	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	487.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17151	0.2
53.03935	1.7
55.01868	1.6
57.03425	2.8
61.02893	1.0
64.33075	0.2
69.03417	14.0
69.99506	0.2
71.01315	0.9
71.04976	5.3
73.02879	0.9
81.03401	15.0
81.14822	0.2
85.02888	2.0
87.04443	0.3
91.05462	0.3
92.09251	0.2
93.59132	0.2
97.02843	0.4
99.04433	6.4
117.05456	1.9
118.06503	3.2
143.08543	0.3
145.07584	5.1
147.07980	0.2
147.09149	6.0
162.07858	1.0
163.08609	1.3
173.07082	11.0
175.07460	0.8
175.08675	6.0
176.07872	0.3
177.09067	0.3
184.07387	0.4
185.07323	0.3
187.08661	0.3
190.07364	0.3
191.08122	100.0
192.51849	0.2
201.73491	0.2
203.08134	0.3
205.09744	1.3
213.10251	0.4
231.11246	0.4
233.09038	1.5
270.16360	0.3
271.10635	0.3
289.11734	1.0
307.05115	0.3
307.12827	17.0
325.13879	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	487.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.1
55.01863	0.6
55.05506	0.2
56.05016	0.2
56.96556	0.8
57.03430	0.3
59.34774	0.1
65.03936	0.2
67.05502	0.6
68.05024	0.1
69.03412	1.4
69.31595	0.1
70.02928	0.3
70.06573	0.6
72.08156	0.2
73.02884	0.1
74.00642	0.7
76.03983	1.9
77.78058	0.1
79.05458	0.7
80.04993	0.7
81.03410	0.3
81.07033	0.2
83.04947	0.2
83.06097	0.3
83.84919	0.1
84.04487	8.2
84.08131	0.3
85.02894	1.9
85.04011	2.5
86.06049	1.7
86.09705	0.2
87.04450	28.5
88.03950	0.2
89.48663	0.2
91.05450	0.9
92.01681	0.9
93.05766	3.7
93.07038	0.6
94.06562	1.3
95.04942	0.5
95.08568	0.2
96.08102	0.2
97.01102	0.3
97.02864	0.6
98.00625	0.7
98.97549	0.9
99.02670	1.1
99.04446	0.2
99.05546	0.8
101.05994	0.2
103.03931	0.2
105.06991	1.5
106.06544	1.0
107.04925	0.8
107.06078	0.2
107.07319	1.2
107.08585	0.7
108.08096	0.2
109.02847	0.2
109.06471	0.1
109.07619	0.2
109.10170	0.2
110.06013	0.3
111.01318	0.1
111.02658	0.2
112.02190	0.2
112.03968	0.3
113.03468	0.9
116.98616	0.8
117.05725	0.2
118.06541	0.3
119.04903	0.2
119.07246	0.3
119.08560	0.7
120.08095	1.0
121.10136	0.3
123.04392	1.0
124.02151	0.3
125.02908	0.2
126.03715	21.6
126.09074	0.2
127.02100	0.8
127.03954	0.3
128.05292	0.2
129.06572	0.5
130.04979	4.2
131.02730	0.2
131.04453	1.5
131.08575	0.2
132.08075	4.4
133.06122	0.3
133.08844	3.6
133.10083	0.9
134.09663	1.4
134.99652	0.6
135.02618	1.6
136.07555	0.3
137.04225	0.2
137.05936	1.2
138.03682	1.7
138.52017	0.1
139.03168	0.3
140.05231	0.3
142.07709	0.1
145.04956	0.3
145.06129	0.8
145.10063	0.2
147.04382	0.3
147.07817	0.1
147.11664	0.7
148.07516	0.3
149.03780	0.5
150.09137	1.7
152.05261	3.9
153.06575	0.6
155.08243	0.2
157.10075	0.3
158.99641	0.1
159.02191	0.6
160.00609	0.6
160.07550	2.8
161.05969	0.2
161.08319	4.6
162.09128	1.1
164.07074	1.0
164.10696	0.7
166.06830	17.8
168.04752	2.4
168.08488	0.1
175.11136	0.9
175.14841	0.1
176.05254	2.1
177.00760	0.3
177.03253	4.4
177.04852	0.2
177.05569	0.2
178.08551	0.9
179.06429	0.2
179.09386	4.0
180.04724	2.2
180.10158	4.8
181.06071	0.9
182.11720	1.1
184.07887	2.6
185.03790	3.0
185.05342	0.3
192.04765	0.7
194.06320	22.3
194.11745	0.3
196.07890	0.6
199.07182	0.2
212.07373	100.0
213.07646	0.8
214.08955	1.5
220.07802	1.9
221.08430	0.6
227.10786	0.1
231.04318	5.5
237.02556	0.2
238.08932	7.8
239.09517	0.7
240.06741	0.2
248.07428	2.4
248.12691	0.2
255.11586	4.4
265.09967	2.3
266.08398	11.5
275.12720	0.2
276.13052	0.3
283.11044	3.3
287.13861	1.0
288.06393	0.7
288.14606	1.3
289.18176	0.2
290.13770	0.3
306.07327	0.2
307.12097	1.0
321.12692	1.4
325.12961	0.6
349.12097	0.2
358.14246	13.6
364.41003	0.2
394.14188	0.8
394.18671	0.2
412.15143	0.5
427.16232	0.6
445.16956	0.2
469.16916	0.2
487.18140	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	486.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75559	7.7
55.05506	11.5
57.07060	43.9
60.65901	6.3
63.00029	87.6
67.05489	10.2
69.07065	11.1
70.98635	6.9
71.08605	15.5
80.65638	7.7
81.07028	32.7
87.04449	61.7
87.29610	7.3
89.06027	15.5
95.08585	39.7
97.10159	12.1
107.02608	28.7
137.13242	14.2
147.11565	10.1
159.58218	8.8
159.75858	7.7
174.62617	8.0
186.92513	7.5
201.14818	100.0
450.44556	9.3
486.35358	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	487.1855
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
55.01859	0.3
55.87631	0.2
56.05022	0.3
56.33548	0.2
56.96275	0.2
56.96551	1.1
57.03432	0.3
59.14973	0.3
67.05497	0.3
69.03414	0.7
72.08141	0.3
74.00658	0.6
76.03987	2.1
79.05499	0.3
80.04963	0.5
81.03394	0.4
82.84728	0.2
84.04489	9.5
84.08116	0.3
85.02878	1.5
85.04017	2.6
86.06059	2.2
87.04449	33.3
91.05449	0.3
92.01679	0.6
92.08672	0.3
93.05766	3.8
93.06989	0.5
94.06540	1.5
95.04942	0.5
98.00602	0.3
98.97572	2.1
99.02670	0.5
99.05555	1.5
105.07024	1.1
106.06564	1.2
107.04927	0.4
107.07309	1.0
107.08595	0.3
110.06008	0.4
111.02602	0.5
112.02210	0.3
113.03477	1.0
116.98615	1.2
119.08541	0.5
120.08065	0.4
123.04362	0.4
124.02164	0.3
126.03716	22.0
127.02115	0.7
130.04994	4.5
131.04504	1.8
132.08067	5.3
133.08835	3.3
133.10057	0.6
134.09627	1.6
135.02635	1.9
135.05589	0.3
136.07539	0.5
137.05991	0.3
138.03699	1.4
140.05223	0.3
145.06096	0.6
147.04317	0.3
147.11667	0.6
148.90530	0.3
149.03889	0.4
150.09128	1.3
152.05270	3.7
153.06642	0.3
158.99606	0.4
160.00583	0.5
160.07542	2.9
161.08321	5.7
161.09558	0.5
162.09123	1.3
164.07063	0.6
164.10652	0.6
166.06822	17.5
168.04764	2.0
176.05219	2.6
177.00726	0.5
177.03246	5.1
179.09390	4.8
180.04741	2.5
180.10156	4.8
181.06027	0.7
182.11626	1.1
184.07925	3.2
185.03804	3.4
192.04686	0.6
194.06323	25.3
195.06769	0.3
203.07629	0.4
212.07372	100.0
214.08902	1.1
220.07895	1.8
221.08321	0.5
231.04332	6.4
238.08908	6.5
239.09456	1.6
248.07402	2.8
255.11530	5.3
265.10226	2.3
266.05646	0.6
266.08389	13.4
283.11081	4.2
287.13684	0.4
288.14581	1.2
306.07361	0.6
307.12109	1.6
321.12555	1.7
325.12875	0.4
358.14240	14.7
394.14206	0.4
412.15210	0.6
427.16385	0.7
445.17316	0.6
487.18140	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	486.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01854	7.8
55.05500	19.5
57.03172	1.7
57.03429	26.0
57.07063	2.5
65.11360	1.0
67.05493	77.7
69.03409	2.7
69.07051	21.7
71.04958	8.2
75.27127	1.2
75.89298	1.1
79.05473	42.9
81.03402	65.1
81.07039	65.4
81.28081	1.1
83.04967	12.0
83.08601	19.9
85.02896	14.9
85.06515	4.8
91.05461	100.0
93.07022	78.4
95.04947	12.2
95.08587	37.5
97.02873	2.6
97.06511	8.7
99.08052	2.6
103.05398	1.3
105.07001	14.6
107.04930	2.5
107.08575	29.2
109.06474	3.0
109.09624	1.2
109.10158	17.9
111.08053	6.4
117.07006	11.8
119.08558	94.4
121.06488	12.3
121.10097	17.1
123.60800	1.2
129.06990	5.4
131.08536	10.1
133.10083	3.1
135.08014	2.3
135.11693	4.7
137.09602	40.1
147.08057	10.7
147.11601	2.1
149.13249	23.3
159.11601	9.8
165.09073	30.6
165.12782	5.0
177.12709	5.0
182.68637	1.2
183.10153	11.2
191.89079	1.2
195.13844	3.1
238.88724	1.3
239.12709	21.7
257.13797	32.4
269.14554	2.0
269.17419	52.8
294.91800	1.5
415.20999	1.4
433.25952	33.9
451.27017	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05505	25.5
57.03420	4.4
57.07062	5.1
59.04973	1.7
64.34064	1.1
67.05493	25.0
69.07056	20.3
71.04977	17.2
71.08588	1.2
73.06543	9.8
76.70967	1.2
79.05470	21.1
81.07035	87.8
83.04964	2.0
83.08115	1.9
83.08596	33.0
85.06513	6.4
85.10201	1.4
91.05438	14.4
93.07027	14.5
95.08582	90.1
97.06487	1.8
97.10143	15.0
105.07016	18.1
107.08581	20.7
109.10136	15.2
111.08096	1.7
111.11714	1.4
119.08543	8.1
121.10127	12.0
123.11672	6.0
125.09637	1.6
131.08499	2.3
133.10117	9.0
134.10428	1.4
135.11676	4.2
137.09628	1.3
137.13234	40.2
139.11159	4.1
145.10126	2.0
147.11661	22.4
148.83537	1.2
149.09573	1.4
155.14284	6.1
159.11688	1.3
164.16786	1.1
165.12685	2.1
183.13795	4.4
196.88779	1.0
201.14819	100.0
215.17952	1.3
233.18976	7.3
251.20000	21.8
269.21024	23.5
295.17087	1.2
387.32813	1.2
407.34921	1.2
451.34042	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	486.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01874	13.9
55.05236	2.2
55.05502	43.7
57.03433	2.5
60.45160	1.4
65.03902	1.5
67.05495	29.0
69.03412	4.0
69.07054	16.2
71.04964	2.7
71.93459	1.5
79.05472	24.0
81.03393	23.1
81.07037	29.0
83.04964	7.1
83.08598	32.5
85.02892	4.0
91.05465	27.2
93.03408	2.0
93.07023	30.0
95.01301	19.3
95.04952	15.1
95.08598	22.0
97.02873	3.1
97.06449	3.2
97.10150	2.3
99.08067	2.0
103.05472	2.2
103.73522	1.6
105.03378	10.4
105.07027	24.9
107.04942	9.6
107.08573	15.6
109.02864	2.0
109.06479	4.3
109.10152	15.1
111.04359	3.0
111.08083	3.1
117.06986	14.8
119.04944	1.8
119.08566	17.5
119.33002	1.5
121.06506	4.1
121.10133	15.8
123.04411	6.8
123.08081	3.7
124.31171	1.8
125.02337	10.9
125.09607	1.8
127.11196	9.2
128.06163	2.4
129.06975	12.4
131.04945	3.3
131.08542	25.2
133.06450	9.0
133.10123	9.0
135.04367	7.2
135.08035	7.3
137.09610	4.0
139.03917	3.7
141.01862	1.8
141.06989	7.4
143.08519	11.2
145.06491	8.4
145.10123	11.6
147.04398	7.0
147.08054	9.9
147.11641	8.2
149.05959	4.2
149.09564	3.4
151.03893	8.5
153.06955	2.0
154.07791	2.2
155.03394	2.8
155.08566	3.8
157.06425	7.4
157.10080	12.4
159.04317	2.3
159.08012	8.4
159.11649	4.0
161.05981	9.5
161.09581	8.8
163.03857	6.5
163.07541	2.4
163.11240	3.0
165.09000	2.9
165.12726	13.3
166.07776	1.9
167.03419	3.3
167.08580	3.4
169.10159	6.2
171.08086	4.3
171.11623	8.4
173.05980	9.4
173.09592	11.0
175.07520	3.1
175.11143	3.0
177.01881	13.0
177.05452	4.1
179.00627	3.4
179.08560	3.8
179.10648	2.1
181.10068	2.8
183.08113	2.0
183.10123	2.3
183.11646	2.6
185.05978	2.2
185.09532	3.4
187.07399	2.8
187.11131	16.7
187.40076	2.0
189.05373	9.0
189.09055	7.8
189.12698	2.4
191.10661	2.9
195.99828	2.3
197.09627	9.6
199.11118	3.9
201.05519	7.6
201.09116	7.3
203.07039	11.5
203.10655	8.8
205.04988	2.8
205.08513	2.1
205.12169	2.4
209.11667	2.7
213.09053	2.3
215.07188	1.9
215.10609	20.7
217.08557	4.3
217.12282	2.9
219.10092	3.5
221.11588	2.2
225.09032	11.4
227.07072	1.9
227.10567	3.3
229.08551	3.0
233.08046	3.2
233.11685	9.7
235.06047	2.5
243.10123	38.3
245.11757	3.2
247.09616	2.2
255.51744	1.8
259.09641	3.1
261.11166	14.9
267.12204	2.2
271.09564	8.0
275.19901	3.9
283.11899	2.4
285.91925	3.9
287.12762	2.3
287.91541	7.7
289.10703	17.3
307.11761	20.2
325.12775	100.0
363.14441	14.2
379.18805	2.1
397.19977	12.6
415.21085	48.1
433.22079	38.1
451.23135	84.8
454.92953	9.1
469.24066	2.3
513.62988	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37567	1.2
50.59248	1.2
52.43476	1.4
53.03945	2.6
55.01865	16.1
55.05507	16.6
57.03419	10.4
57.79494	1.3
67.05194	1.9
67.05496	32.9
69.01826	1.5
69.03406	3.2
69.07055	15.4
71.04980	2.7
79.05479	27.4
81.03399	14.7
81.07037	45.7
81.33004	1.6
82.02394	1.6
83.04959	8.9
83.08595	11.0
85.02898	2.2
91.05464	39.7
93.07024	28.6
95.01298	3.0
95.04942	10.8
95.08595	20.2
97.06493	6.8
97.10150	1.8
103.05436	2.0
105.07012	32.8
107.04939	9.8
107.08575	14.3
109.02847	2.3
109.06499	7.9
109.10142	3.0
111.08038	3.4
115.05409	3.4
117.06988	11.1
119.04892	3.6
119.08563	25.5
121.02820	2.1
121.06494	3.3
121.10126	16.9
123.04408	2.9
123.08076	1.6
123.11680	8.6
125.09576	2.1
128.06236	1.7
129.06937	11.5
130.46114	1.8
131.04919	3.3
131.08537	19.5
133.06499	4.7
133.10144	13.7
135.04425	3.3
135.08032	7.1
135.11659	2.3
141.06967	3.4
143.08554	9.5
145.06447	12.0
145.10098	8.4
147.04324	2.6
147.08026	7.3
147.11679	24.5
149.02321	1.8
149.05936	2.5
149.09567	9.4
149.13217	2.4
151.03767	1.9
155.08519	7.5
157.06430	7.7
157.10089	9.2
159.04366	2.5
159.08080	11.4
159.11636	3.4
161.05975	4.0
161.09520	2.9
163.03847	1.9
163.07581	1.7
165.12724	6.9
167.08598	3.5
169.06467	2.5
169.10107	2.9
171.08083	3.9
173.05898	7.3
173.09631	2.2
173.13277	1.8
175.03812	2.1
175.07494	3.4
175.11093	3.8
177.09058	9.8
179.08566	2.0
181.10039	2.3
183.08034	2.6
183.11687	1.9
185.05940	3.8
185.09624	7.2
187.03841	3.0
187.07506	5.9
187.11095	2.0
189.05345	3.0
189.09085	2.8
193.10251	2.6
193.12224	2.7
195.08049	2.2
195.11551	1.6
197.05905	2.6
197.09651	3.2
199.03798	5.2
199.07578	6.2
199.11229	7.0
201.05319	5.1
201.09096	7.4
203.07031	3.5
207.11638	2.7
211.11224	3.6
213.05415	2.6
213.09148	3.2
213.12642	1.7
215.06987	2.3
215.10664	3.5
217.08582	3.5
227.07068	1.9
227.10648	2.0
229.08525	2.5
231.09982	2.4
237.12762	2.0
241.08556	3.2
241.14287	3.8
243.10063	2.2
255.10095	2.5
263.09171	2.2
275.20032	4.0
285.16833	2.7
291.12234	1.8
327.19305	2.4
351.19385	8.0
355.18881	7.3
363.14273	3.9
367.18851	15.3
369.20657	3.3
373.19962	6.6
379.18982	12.2
385.20032	9.0
396.91391	1.7
397.19983	25.9
415.21054	39.5
433.22141	100.0
445.99902	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.4
53.03940	1.7
54.81011	1.0
55.01863	13.4
55.05501	36.9
57.03425	4.8
57.46681	1.0
61.02892	1.2
67.05492	28.6
69.03412	7.1
69.07053	16.0
71.04974	2.8
79.05472	31.2
81.03393	13.8
81.07037	41.5
83.04962	5.7
83.08599	23.6
85.02901	8.1
91.05459	30.2
93.07026	26.5
95.01307	13.2
95.04946	15.8
95.08589	21.2
97.02863	2.9
97.06488	8.2
97.10153	1.8
99.48000	1.1
105.07008	21.5
107.04937	11.7
107.08572	15.1
109.02863	2.7
109.06506	11.3
109.10136	7.6
111.04447	1.8
111.08072	6.7
113.02363	1.7
115.05437	4.3
117.06985	16.3
117.08236	1.3
119.08554	18.9
121.02827	1.2
121.06506	6.5
121.10090	15.0
123.04420	9.2
123.08041	7.9
123.11737	1.8
125.02315	4.8
125.09706	1.3
127.03925	1.4
127.11193	1.8
128.06218	2.3
129.06979	10.7
131.04922	1.9
131.08531	17.7
133.06476	6.7
133.10109	13.1
135.04427	6.5
135.08026	5.9
135.11682	2.2
137.05974	7.3
137.09586	2.3
139.03876	4.8
139.11163	1.4
141.01781	1.6
141.06987	5.5
142.07794	1.9
143.08528	7.2
145.06476	5.9
145.10088	15.2
147.04362	1.7
147.08057	7.0
147.11639	8.4
149.05968	2.6
149.09615	8.0
149.13191	1.9
151.03902	5.7
151.07495	1.4
151.11104	2.2
153.09032	1.4
154.07718	4.2
155.03406	4.9
155.08531	4.6
157.06496	1.8
157.10069	8.2
159.04349	1.9
159.08043	5.8
159.11690	4.9
161.05978	4.9
161.09566	8.4
161.13214	1.6
163.03888	6.8
163.07491	1.7
163.11127	7.1
165.05527	2.3
165.06956	2.1
165.09068	1.4
165.12727	6.1
167.03400	1.3
167.08511	1.6
169.06433	2.3
169.10097	6.4
171.08067	7.6
171.11665	5.6
171.48390	1.2
173.05992	2.4
173.09583	7.4
175.03900	1.4
175.11174	2.5
177.05493	2.1
179.03307	2.3
179.08566	4.8
179.10544	1.2
183.08017	2.8
185.09575	4.4
187.03879	1.2
187.07512	7.0
187.11162	6.2
189.05444	4.9
189.09050	8.1
191.03468	2.2
191.06984	1.4
191.10722	2.4
195.11751	1.3
197.04478	5.0
197.09587	11.3
199.07541	1.9
199.11169	2.8
201.05548	1.9
201.09109	8.7
203.10690	1.8
205.08533	2.0
207.10048	1.8
211.07574	2.2
211.13031	1.3
213.09016	1.6
215.07146	1.9
215.10632	11.4
217.08598	8.1
217.12288	1.7
225.09120	12.8
227.10625	5.0
229.08548	1.7
231.10097	2.7
233.08159	2.5
233.11719	2.0
236.39967	1.2
243.10110	14.7
245.11659	4.1
247.09421	1.4
253.08446	8.2
257.18973	2.8
259.13269	1.6
261.11172	14.2
271.09583	14.8
275.20026	19.1
277.14557	2.2
279.12265	1.6
287.12543	2.0
289.10669	40.1
293.21127	4.5
294.21915	1.6
297.18417	1.5
307.11676	23.4
323.15103	1.5
325.12811	11.6
349.16754	2.2
395.16879	2.4
396.82458	1.2
397.19946	4.6
406.68289	1.4
415.21011	12.1
423.24005	1.8
433.22061	35.1
451.23141	100.0
455.31180	1.4
469.24124	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	486.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
54.81225	0.3
55.01868	0.6
57.03424	1.9
61.02915	2.2
64.33147	0.3
66.37070	0.2
67.05498	2.8
69.03410	0.7
69.07050	0.7
70.06575	0.4
71.04982	0.5
72.16356	0.3
72.56116	0.3
73.02907	0.3
75.04398	0.3
79.05479	1.9
81.03403	100.0
81.07030	0.5
82.03696	0.3
83.04970	1.8
85.02885	3.3
86.06040	0.3
86.09692	0.6
91.03925	0.5
91.05460	7.8
92.08637	0.4
93.07021	3.7
95.04953	1.4
95.08588	2.2
97.02876	1.7
97.06497	0.3
103.03935	0.4
105.07049	1.1
107.04962	0.4
109.06504	0.4
109.10156	1.7
111.04421	1.3
117.06977	0.6
118.12281	0.4
119.04918	0.4
119.08562	12.8
121.06479	4.2
123.04401	1.4
123.08057	2.5
124.99984	0.4
127.55480	0.3
129.06969	0.6
131.04878	0.4
135.08060	1.2
137.05960	3.7
137.09598	15.4
139.03911	3.0
145.05003	0.4
147.04364	0.7
147.08015	6.2
161.09705	0.4
163.07492	0.7
165.05424	2.5
165.09079	41.1
183.10199	1.8
184.07336	1.4
203.57971	0.3
239.12738	14.5
257.13791	27.7
281.13751	2.2
289.10855	0.4
324.89850	0.4
335.14725	0.4
347.14935	0.5
383.16843	0.4
401.17810	1.3
420.98853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05499	1.7
55.22543	0.7
57.03426	1.8
58.03304	0.9
58.99596	1.0
60.08147	1.1
67.05494	7.1
69.03419	4.0
70.06577	1.9
71.04978	4.9
72.08152	1.7
74.00648	1.0
74.54652	0.8
76.02204	1.2
79.05479	9.9
81.03398	7.7
81.07029	2.3
83.05001	1.5
84.08109	0.9
85.02877	8.8
85.06519	1.2
86.06021	1.3
86.09697	7.1
88.03968	24.0
91.05460	18.8
92.08698	1.9
93.07024	4.5
95.04943	5.7
97.02890	1.7
97.06500	2.0
99.04401	4.2
103.03925	5.6
103.05444	2.2
104.06186	1.0
104.36868	1.0
105.07012	12.5
107.04927	16.8
107.08575	1.1
109.02814	1.7
109.06487	5.2
109.10176	1.3
111.04427	1.0
115.05400	7.3
116.06231	1.3
117.06999	9.4
118.06508	3.9
119.04909	4.4
119.08550	5.2
121.06491	6.9
122.02709	6.1
123.02664	3.7
123.04417	1.5
123.08035	7.5
124.07582	0.9
124.99972	4.5
125.05991	1.5
127.03877	5.5
127.11162	7.1
128.06184	23.8
129.06972	5.1
131.04903	5.2
131.08548	1.4
132.05692	1.7
133.06470	35.4
135.02606	1.0
135.08026	4.1
137.05934	6.9
137.09592	1.3
139.07550	1.2
141.06943	2.1
143.08537	35.1
143.09613	1.6
145.05009	1.2
145.06468	8.9
146.07268	1.6
147.02617	1.2
147.04396	2.0
147.08011	19.6
148.13338	1.0
149.04170	13.2
149.06015	1.5
149.09528	1.1
151.07535	37.3
153.06955	1.3
155.08586	1.5
157.06456	4.2
159.08035	1.6
160.05156	4.6
161.05945	10.3
161.09590	5.0
162.06744	2.1
163.06125	1.2
163.07532	5.6
164.05260	4.9
165.06947	2.1
165.09084	5.1
169.06461	2.2
171.08012	31.7
174.06828	1.5
175.07507	100.0
177.05455	2.3
177.09084	43.2
178.07724	1.2
179.06978	2.0
179.08459	1.9
181.06509	1.0
183.08098	1.7
184.07306	16.2
187.07567	1.4
188.08313	5.4
189.03741	1.1
189.09134	7.9
191.08286	1.9
191.10655	1.5
195.04874	1.0
195.10132	24.0
195.11729	1.6
197.09572	1.6
199.07442	1.5
201.09036	3.8
203.10640	26.6
207.10156	4.9
208.08890	1.4
209.09651	3.7
219.08112	2.0
219.10074	6.5
219.11934	1.7
221.09598	5.0
221.11711	17.0
223.11310	1.0
225.09044	1.8
227.10654	1.3
235.11079	1.9
239.10634	4.4
241.12212	2.1
245.11758	3.6
251.10529	1.3
253.12207	4.6
257.11450	1.5
257.13852	5.3
267.13831	1.5
269.11819	2.0
271.13159	9.7
279.13663	1.6
285.14795	13.1
297.14746	7.2
303.15848	4.8
307.10123	1.4
315.15720	14.4
317.17380	1.5
329.11887	1.8
329.17386	1.7
335.18549	7.7
347.18503	20.9
397.16928	9.4
401.17856	1.1
436.17877	1.5
468.20612	10.7
486.14545	1.6
486.21420	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.8
55.05505	6.9
57.03429	10.1
57.07067	46.6
64.31511	0.5
67.05489	8.5
69.07057	7.0
70.06559	0.6
71.04992	0.6
71.08614	27.7
75.04450	0.7
79.05460	0.6
81.07035	12.2
83.08602	7.0
85.10175	12.8
88.07627	1.4
89.06042	1.1
95.08581	14.8
97.10150	4.0
98.59582	0.5
98.98445	35.5
102.09151	0.7
103.27562	0.5
109.10136	4.6
109.85838	0.6
111.11716	0.5
116.99470	1.0
119.70999	0.6
121.10108	0.5
123.11689	0.8
155.01031	15.8
173.02074	2.1
200.20114	0.6
228.23270	2.3
239.23653	2.2
257.24744	0.9
283.26270	2.7
313.27304	100.0
314.27753	0.7
360.95187	0.6
383.01285	0.7
393.23831	1.2
449.26517	7.5
484.46832	2.5
485.47369	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	486.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54867	0.3
51.84471	0.3
53.03930	0.5
55.01871	0.5
55.05502	0.6
57.03421	1.5
57.07059	0.7
61.02912	1.9
64.08239	0.3
65.78201	0.3
67.05504	0.5
69.03416	5.7
69.07056	1.4
70.04059	100.0
71.04973	0.7
73.02879	0.5
73.06534	0.3
77.87605	0.3
79.05490	0.4
81.07050	1.5
85.02890	14.3
87.04447	1.2
91.03937	0.3
91.05463	0.4
93.06989	0.3
97.02874	3.8
99.04446	0.7
103.05463	0.7
105.07004	0.4
107.04929	0.4
108.67021	0.3
109.02829	2.2
115.05412	0.4
116.06228	0.6
119.04950	0.3
121.06509	0.4
125.01515	19.1
127.03896	1.7
129.06955	0.3
130.07806	0.5
137.05962	1.6
139.03091	3.8
140.17867	0.3
141.34131	0.3
142.07784	0.7
143.08559	0.5
144.09366	0.6
145.05019	0.4
151.03073	12.2
153.04596	0.3
163.03081	2.1
164.40732	0.3
165.04619	5.0
165.06912	1.1
177.04654	2.1
179.06204	3.9
181.04022	1.1
183.08044	0.8
207.09344	0.4
211.07487	0.8
219.09499	0.7
220.27740	0.3
241.30768	0.3
253.16713	0.4
271.09607	3.5
276.12659	2.1
276.65854	0.4
306.13651	7.8
324.14664	46.2
325.15350	0.3
486.19952	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	485.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	1.3
53.03932	3.7
54.81683	0.9
55.01861	7.5
55.05504	19.4
57.03416	4.3
57.07051	1.6
59.51590	0.8
59.59269	0.8
62.80178	1.1
64.80188	0.9
65.03922	2.1
67.05141	1.9
67.05489	38.5
67.29199	0.7
69.03410	7.0
69.07053	15.9
71.04966	3.9
75.23203	0.9
77.37247	0.9
78.42813	0.9
79.05476	28.1
81.03389	4.9
81.07037	100.0
82.09647	1.0
83.04966	9.9
83.08609	11.8
85.02876	5.1
85.06554	2.3
91.05465	30.1
93.07016	26.5
95.04955	13.8
95.08582	25.3
97.06499	5.1
105.07019	29.8
107.04948	14.0
107.08579	18.9
107.61977	1.0
109.06508	27.0
109.10152	9.2
111.04424	6.9
111.08064	1.5
117.07008	8.0
119.08546	23.5
121.02856	1.5
121.06498	4.3
121.10120	12.7
123.08029	7.6
123.11691	6.2
125.09686	1.1
129.05464	3.8
129.06990	4.6
131.08563	15.8
133.06490	1.7
133.10115	19.6
135.04449	1.8
135.08015	6.3
135.11681	6.6
137.09575	5.3
141.06975	1.1
143.08549	1.9
145.10071	11.0
147.06534	1.6
147.11674	17.1
149.09578	8.1
149.13225	5.8
151.11134	2.4
154.24330	1.0
155.08548	1.8
157.10132	4.5
159.11708	7.4
161.09572	2.0
161.13248	4.6
163.11125	7.4
163.14787	1.7
165.12781	4.0
169.10043	1.7
170.12276	1.1
171.11652	2.1
173.13208	7.0
175.11151	2.1
177.12720	1.5
183.11674	3.9
184.78606	1.2
187.11174	2.0
187.14838	1.0
193.12123	1.6
195.13840	1.2
197.13313	1.3
216.61771	1.2
229.19563	1.4
239.17850	3.5
247.20523	2.1
257.18915	6.8
275.19998	75.7
293.21036	41.6
293.23660	1.0
335.05557	1.6
396.09366	1.1
449.25238	5.1
485.12323	1.4
485.20016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2873
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.00276	0.5
55.05510	6.8
57.03428	15.9
57.07069	53.8
58.15791	0.3
60.22835	0.4
62.05836	0.4
67.05493	10.0
69.07056	7.9
71.04995	0.5
71.08617	32.0
79.05479	0.5
81.07039	13.0
83.08596	8.1
85.10166	15.9
86.10513	0.5
86.20985	0.4
89.06007	3.2
92.08678	0.6
93.07035	0.7
95.08583	18.3
97.10130	4.6
98.98443	8.9
103.07554	2.0
107.08574	0.4
109.10160	7.0
123.11690	2.9
155.01019	2.6
173.02072	0.5
216.58340	0.6
239.23668	1.8
257.24722	2.8
313.27322	100.0
314.27704	0.9
410.28281	0.6
446.67905	0.5
449.26440	1.0
484.47342	0.9
511.29205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1995
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
51.90391	0.2
57.03471	0.3
60.53197	0.3
62.27310	0.3
67.05508	0.7
70.75150	0.3
72.08159	0.3
79.05457	0.5
81.07011	1.1
83.08636	0.3
85.02923	0.3
86.09718	0.4
89.85834	0.3
91.05480	0.5
93.07015	1.3
97.02858	0.4
100.11259	0.3
105.07049	0.5
121.10168	0.6
135.30951	0.3
137.05963	1.7
163.11206	0.5
171.00632	0.4
184.07324	0.8
203.05315	0.7
212.70137	0.3
249.10909	2.6
259.07919	1.8
305.13559	0.3
323.14636	9.0
485.19873	100.0
486.20157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2509
Annotation	Arg Tyr Phe
Peak:m/z	Relative Intensity
55.05498	1.4
66.02096	1.1
67.02847	1.1
67.05512	1.9
74.20914	1.3
75.87927	1.4
77.77306	1.2
79.05498	2.2
79.75629	1.2
81.07040	2.5
86.30318	1.2
88.02033	1.2
93.07005	1.8
109.10219	1.3
137.25079	1.6
184.24478	1.4
283.26541	2.0
329.05679	1.6
397.88641	1.5
484.47501	2.0
485.25009	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	485.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.6
55.05507	26.2
57.03420	15.5
57.07058	3.4
60.89552	3.3
61.02912	22.6
67.05500	42.1
69.07062	24.7
71.04967	6.2
73.02879	4.5
79.05048	6.0
79.05473	80.4
81.03415	4.3
81.07034	38.8
83.08595	6.2
85.02890	15.0
85.06559	4.0
91.05457	94.2
93.07034	95.1
95.04951	23.6
95.08585	33.1
97.02857	14.6
97.06494	5.2
105.07012	100.0
107.08582	58.2
109.10148	8.4
117.06995	25.1
119.08555	81.4
121.06561	4.1
121.10113	37.3
123.08062	5.7
127.03922	4.0
129.07018	25.5
131.08539	37.8
133.10114	85.5
135.04410	3.6
135.08038	4.0
135.11679	22.7
137.05925	4.5
141.06970	3.4
143.08554	17.9
145.10115	42.2
145.61154	3.4
147.08002	7.9
147.11668	69.2
149.09592	4.3
149.13309	4.1
154.92397	4.0
157.10097	18.0
159.11638	8.1
161.09601	4.4
161.13271	7.7
171.11670	32.1
173.13216	7.8
175.11116	4.4
185.13246	8.4
187.14835	6.3
189.16318	21.6
203.17874	14.7
213.16371	46.9
231.17374	64.2
249.18445	3.8
282.43057	3.5
323.22125	49.5
464.74792	3.7
467.26334	4.9
485.12317	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97385	0.6
54.81639	1.1
56.96559	18.5
57.03428	0.8
69.03423	3.4
69.07063	0.9
69.95692	0.7
70.06583	1.7
71.95245	1.1
72.08133	1.9
81.03416	0.9
81.04481	0.8
84.96029	0.9
85.02900	4.5
88.30354	0.8
91.05473	1.1
93.07067	0.9
95.08592	3.3
97.02892	1.2
98.97565	100.0
105.07028	1.1
110.97575	3.4
116.98604	75.2
119.04927	1.5
119.08562	1.2
121.06507	1.1
123.07970	1.1
127.03909	1.3
128.98602	7.2
131.00104	1.0
133.06416	0.8
134.99635	32.0
137.05977	5.1
146.99663	7.3
147.04398	3.4
153.00706	1.9
157.32126	0.9
158.99614	9.8
161.05978	1.2
163.07507	3.2
170.99580	0.9
177.00668	12.5
187.02779	1.1
189.12721	1.7
197.01367	0.9
197.04878	1.4
211.06432	3.2
219.01755	4.6
219.06934	0.9
222.01642	0.9
223.06593	0.9
229.07487	1.3
232.43831	0.8
237.02690	9.2
239.09547	1.9
245.08519	2.0
255.03795	0.8
263.09482	30.1
277.11609	0.9
281.10565	38.4
299.11639	7.0
305.10587	13.7
323.11627	46.1
323.15430	1.9
324.12463	1.0
341.12653	12.3
365.12686	12.4
399.10770	0.8
425.14755	65.2
443.15775	5.9
485.16718	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	485.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81779	1.8
55.94502	1.8
56.96557	17.7
64.25225	1.9
64.91282	1.7
69.03424	3.4
69.07096	2.2
70.06568	8.5
72.08130	3.8
77.56773	2.0
79.05469	2.3
81.03438	2.7
81.07055	3.2
83.04929	2.3
84.08113	3.1
85.02899	11.0
86.09656	2.6
91.05457	5.4
91.30296	2.0
93.07043	2.9
95.04944	2.3
95.08600	2.2
97.02863	3.8
98.97558	100.0
103.05431	3.2
105.07040	2.6
107.04972	3.2
109.02889	3.0
116.97826	4.3
116.98602	71.8
119.04905	2.8
119.08578	4.5
121.06465	3.3
123.08006	3.7
128.98573	4.5
130.06487	11.7
131.04883	4.0
134.99643	37.3
135.07964	3.2
137.06006	13.2
138.09047	3.1
145.02791	2.2
146.99629	4.4
147.04372	9.5
153.00766	2.5
158.99632	8.8
163.07455	3.3
177.00687	12.8
186.85233	2.6
189.12866	2.4
219.01671	3.4
237.02719	5.4
239.09660	2.5
245.08588	2.3
263.09537	26.6
281.10507	39.4
299.11716	4.8
305.10342	15.3
323.11572	42.1
341.12637	11.3
365.12680	14.3
425.14716	57.7
443.15897	8.8
485.16043	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	484.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.5
55.05500	20.1
55.37084	1.6
57.07072	34.9
63.74267	2.0
65.14109	1.7
67.05499	28.8
69.07039	11.9
70.06570	8.2
71.08602	9.8
73.69393	2.0
79.05478	14.3
81.03388	10.3
81.07043	27.7
81.09559	2.0
82.11434	1.9
83.04972	4.3
83.08607	11.8
85.10175	38.7
88.07596	10.8
89.06017	3.7
91.05470	18.8
92.08666	7.4
93.07022	18.8
95.04961	15.9
95.08585	24.8
97.06515	4.4
97.10163	7.7
102.09177	4.8
105.07014	13.3
107.04933	9.9
107.08554	9.4
109.06496	3.4
109.10139	13.1
113.09629	30.9
119.08550	4.3
121.10126	3.4
123.08049	2.2
129.06982	2.7
131.08505	4.1
133.10089	4.2
135.11693	2.5
145.10030	2.6
147.11664	11.1
149.09589	11.4
151.11128	2.3
163.11188	4.7
165.12729	42.2
171.37010	1.9
175.11189	3.0
179.14304	3.1
200.20068	15.0
217.36375	2.3
228.23114	16.9
268.45401	2.5
277.21622	50.5
283.26236	23.3
295.22620	100.0
304.20847	1.8
311.29480	14.6
320.91467	2.4
358.46695	2.1
470.93140	2.2
484.47159	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60985	1.2
53.64196	1.7
57.20501	1.5
67.13740	1.4
69.03400	1.7
70.06568	1.8
85.02956	1.7
90.10013	1.6
145.02933	1.7
164.25082	2.0
249.96399	1.9
317.08478	2.9
323.10822	12.3
485.16586	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	484.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38047	1.5
55.01862	2.3
55.05505	16.9
57.03433	15.8
61.02907	5.6
64.33592	1.4
67.05490	74.9
69.03408	3.8
69.07058	15.7
70.06569	2.8
70.27593	1.4
71.04987	12.3
72.08143	2.3
73.02903	2.2
79.05476	28.5
81.03381	12.2
81.07037	87.8
83.04978	8.2
83.08611	18.9
84.04479	2.1
85.02872	13.5
85.06518	11.5
86.09708	3.1
91.05464	25.4
93.07022	54.4
95.04968	8.6
95.08571	21.6
97.02891	3.5
97.06494	14.3
99.04423	3.7
99.08086	3.1
100.11227	11.3
103.03923	3.2
105.07018	11.5
107.08568	24.4
109.06518	7.2
109.10152	8.8
111.04427	2.3
111.08090	11.1
115.12975	1.6
117.06975	18.9
119.08569	4.0
121.06483	2.6
121.10119	10.0
123.11693	8.8
125.47783	1.6
127.03886	6.2
128.56960	1.6
131.08553	18.4
133.10097	25.7
135.08057	2.0
135.11671	23.6
137.05960	52.0
138.06326	13.8
147.04448	2.4
147.07944	1.8
148.41206	1.6
149.13234	36.8
151.11171	10.0
159.11671	52.3
161.13216	1.6
163.11185	3.8
164.06989	1.8
165.09006	1.9
175.07469	1.9
177.12721	35.7
179.14255	7.2
182.15399	3.0
184.07326	8.1
187.13254	11.9
195.13776	13.7
210.14717	1.7
226.01347	1.5
229.14336	3.8
241.78207	1.5
243.15840	41.3
251.16443	6.2
255.15855	6.2
267.08899	1.8
269.14542	3.4
269.17422	100.0
285.17059	1.8
286.17245	2.9
287.18509	31.1
431.22617	19.6
475.35767	3.2
485.20001	2.0
490.04166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80045	2.1
52.59998	2.2
55.01856	13.5
55.05499	19.9
57.03425	3.5
57.07067	20.5
57.40150	2.2
59.04995	3.1
67.05148	3.5
67.05493	100.0
69.07047	9.9
70.06577	11.6
71.04987	3.1
71.08615	5.9
79.05466	15.1
81.03392	3.4
81.07040	35.0
83.04961	5.6
83.08595	13.6
85.06553	2.6
85.10168	12.6
88.07592	8.8
91.05459	14.0
93.07030	10.5
95.04939	4.7
95.08584	15.5
97.06535	4.9
102.09145	6.3
105.07023	6.1
107.04940	2.8
107.08559	3.4
109.10134	62.4
111.08054	15.6
113.09637	10.9
116.98682	2.5
119.08550	9.4
121.10139	5.7
130.34514	2.9
133.10075	3.2
147.11649	3.2
149.09633	3.4
153.12752	3.5
155.10695	2.9
165.11511	2.8
165.12708	23.3
165.53117	2.9
173.11635	24.5
190.79837	3.0
200.20076	6.0
228.23154	20.5
277.21558	41.7
283.26263	21.4
295.22647	36.1
311.29504	6.0
349.32285	2.8
423.04321	2.9
456.66006	2.8
484.47083	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04353	0.5
53.34146	0.5
54.49970	0.6
54.53138	0.6
56.96564	0.7
57.03434	1.7
60.37013	0.6
61.02921	1.6
67.05483	0.8
69.03419	4.7
69.07037	0.6
70.06570	3.0
70.23810	0.5
71.04968	0.9
72.08127	0.7
72.80678	0.7
73.49943	0.6
79.05473	1.4
81.03407	4.1
81.07009	2.3
81.87920	0.6
84.08183	0.6
85.02892	12.3
85.81456	0.6
86.09685	3.1
91.05511	2.2
95.04932	0.6
95.08582	0.8
97.02875	3.9
99.04427	1.2
103.03915	1.3
103.05453	1.5
105.07027	0.9
107.04962	1.6
107.08620	0.9
109.02859	1.4
115.03933	0.7
116.92386	0.6
119.04950	1.0
119.08537	0.8
121.06496	1.5
121.10117	1.0
122.03628	4.5
124.99989	0.7
125.09604	0.9
127.03889	3.4
131.04919	4.2
137.05968	100.0
141.04071	0.7
145.04977	1.3
147.04376	1.5
156.72246	0.7
161.05936	7.7
162.06728	1.3
163.07515	7.5
166.08611	0.8
184.07307	1.6
191.07149	0.7
203.07042	4.5
221.05937	0.8
221.07997	1.0
239.47841	0.7
241.10562	0.7
270.86517	0.7
286.17157	0.7
287.12585	1.2
297.10938	1.2
320.45572	0.7
386.73862	0.7
431.17294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59452	0.3
53.00294	0.9
53.03913	0.6
53.81786	0.3
54.60450	0.4
55.01867	0.6
55.05506	43.8
57.03430	17.5
57.07069	21.9
58.51749	0.4
59.70697	0.4
64.27610	0.4
64.96281	0.4
67.05493	7.3
69.07057	49.1
71.08614	10.5
79.05472	4.2
80.79504	0.4
81.07038	7.9
83.04987	0.9
83.08605	35.1
85.10165	4.5
88.36658	0.5
93.07018	6.2
95.08580	5.8
97.06513	3.8
97.10152	23.0
98.97865	0.9
98.98451	16.2
101.05958	0.5
107.08598	3.5
109.10113	1.0
111.08086	0.9
111.11691	5.7
121.10112	4.8
123.11697	0.8
125.09608	0.6
125.13260	0.6
135.11678	2.7
149.13261	0.7
153.12711	0.5
155.01056	4.2
163.14850	0.5
173.02071	0.5
207.66859	0.5
208.00945	0.5
216.57848	0.5
237.22099	0.7
244.68147	0.5
247.05765	0.5
311.25754	100.0
312.26144	0.7
382.90002	0.4
447.24875	3.0
491.22571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82547	0.2
53.36392	0.2
53.37002	0.2
54.18465	0.2
55.01848	0.3
55.05503	0.2
56.37443	0.2
61.02913	0.2
65.99332	0.2
69.03403	0.7
69.07043	0.2
70.06568	1.3
71.04968	0.3
72.08125	0.4
81.03394	0.4
81.07012	0.4
83.08615	0.2
84.08152	0.2
85.02890	2.0
86.06039	0.2
86.09683	0.2
88.07612	0.3
91.05470	2.0
93.06998	0.3
94.04157	0.4
95.04925	1.0
96.08118	0.2
97.02861	0.9
97.06461	0.3
98.97575	0.3
100.11247	0.3
103.05403	0.4
105.06969	0.5
107.04934	2.4
109.06526	0.2
110.07182	0.2
111.04343	0.2
114.09151	1.2
115.05342	0.2
119.04897	1.3
121.06477	6.1
122.03619	3.5
125.09602	0.3
127.03918	0.4
130.06477	0.2
131.04912	1.6
131.08664	0.2
133.06459	0.4
135.08070	0.9
137.05954	100.0
138.06305	0.3
145.06439	2.7
147.04427	1.4
147.08043	0.8
149.05951	1.2
149.09579	0.2
151.07523	0.9
158.07048	0.2
161.05962	1.3
163.07507	4.5
165.06952	2.8
166.07698	0.4
167.08490	0.3
169.10052	0.3
175.07588	0.4
176.08363	0.2
178.07701	0.4
179.08476	0.8
181.06386	0.3
182.07173	1.9
182.15385	0.4
194.07228	1.0
195.16502	0.2
197.09573	4.9
204.10214	0.2
207.08063	0.3
209.09529	2.2
210.06773	0.4
210.14920	0.4
224.08139	0.2
225.09041	4.6
237.09048	3.2
239.10625	0.3
254.09428	0.2
257.09122	0.3
257.11697	7.5
269.11658	10.8
287.12711	4.2
327.11182	0.3
421.89160	0.2
484.34726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68994	0.8
51.02369	0.7
55.05498	1.7
55.14921	0.7
57.03431	1.3
63.76598	0.7
64.68358	0.8
65.03946	1.2
67.05486	1.5
69.03394	0.8
69.07056	1.7
70.06615	0.8
71.04982	1.3
79.05466	7.8
79.88558	0.8
81.03397	1.8
81.07022	8.6
85.02872	1.5
87.04485	0.9
91.05469	8.8
92.64478	0.9
93.07024	3.4
95.04953	2.1
95.08573	1.1
97.02907	1.1
97.06507	14.2
100.11241	2.0
105.06995	1.4
106.06546	1.2
107.04962	1.4
108.08112	1.4
114.09157	1.5
116.05003	1.6
117.05750	1.3
118.06508	10.0
119.08581	0.9
121.06442	1.0
123.06737	0.9
125.05957	28.2
126.09129	1.2
134.06000	1.5
135.04382	1.1
136.07544	13.1
137.05952	12.8
138.06342	1.1
138.09154	1.1
140.07100	3.5
142.08614	28.2
146.05992	6.9
147.04495	0.8
151.07581	1.0
152.07080	4.0
161.02226	1.0
162.05450	19.3
163.07523	4.5
164.07033	100.0
173.02393	1.1
178.04945	20.1
180.06535	10.0
181.89424	1.0
182.08084	34.5
182.15462	1.9
184.07140	1.2
210.15013	0.9
229.13208	1.4
257.09192	4.7
257.12808	1.6
259.07092	1.7
259.09598	1.4
259.14325	0.9
275.13892	6.1
281.08722	1.0
285.12265	14.9
288.11099	1.3
303.13309	41.9
321.14331	8.1
399.31250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60970	0.4
51.93103	0.4
53.00281	0.6
53.03935	0.6
54.28213	0.4
54.61231	0.5
55.01365	0.4
55.01863	0.4
55.05507	48.1
57.03429	18.5
57.07069	20.6
67.05490	7.6
67.38157	0.4
69.07055	45.5
71.08253	0.6
71.08614	10.8
72.66922	0.5
75.04474	0.5
79.05463	3.9
81.07035	8.2
83.04947	0.9
83.08604	42.8
84.51549	0.5
85.10162	3.8
85.30116	0.5
93.07014	6.1
95.08585	5.6
97.06506	3.8
97.10151	23.4
98.98446	16.7
107.08595	4.4
109.10143	1.1
111.08067	1.8
111.11694	4.7
121.10126	5.4
123.11658	0.5
135.11636	3.1
139.11147	0.8
149.13231	1.1
155.01050	5.1
173.02065	1.0
233.44545	0.5
238.44524	0.6
251.20013	0.5
278.31848	0.6
290.71558	0.6
311.25745	100.0
312.26132	1.2
447.24945	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	482.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01870	2.8
55.05507	25.3
57.03436	3.4
59.04990	2.9
60.37980	1.5
65.31644	1.5
67.05495	100.0
69.07063	13.1
71.04973	3.2
79.05480	23.3
81.03402	7.7
81.07042	55.5
83.04977	2.5
83.08599	13.7
85.06551	2.6
89.06010	2.2
91.05471	25.3
93.07023	23.0
95.04942	15.3
95.08590	18.4
96.12627	1.5
96.86758	1.4
97.06519	6.6
97.10147	1.6
105.07029	24.3
107.04957	10.7
107.08588	14.7
109.06529	11.8
109.10149	58.9
111.08065	2.7
117.07030	8.2
117.09329	1.5
119.08566	20.4
121.06505	2.7
121.10138	7.7
123.08058	2.7
123.11687	2.5
124.93763	2.6
125.09597	1.7
129.07022	2.1
130.26707	1.7
131.08559	13.4
133.10121	18.8
135.08051	2.6
135.11685	2.9
137.09604	6.4
145.10141	11.0
147.07982	2.0
147.11659	13.5
149.09622	10.5
151.11221	1.9
151.98415	1.7
159.11671	10.0
163.11169	9.5
165.12744	2.5
169.95139	1.6
173.11743	22.5
173.13222	5.7
175.11176	2.6
183.11674	2.2
223.13286	3.5
230.77232	1.9
239.17921	7.4
257.18930	6.2
275.20013	63.3
293.20966	27.2
333.74222	1.8
401.98016	1.8
474.63959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36535	0.3
55.05507	1.4
57.07063	0.4
64.58998	0.3
67.05499	4.3
69.07050	1.8
77.03885	0.4
79.05472	1.2
80.48076	0.3
81.07038	4.0
83.04918	0.3
83.08605	1.2
83.24877	0.3
85.71513	0.3
88.82558	0.3
89.05995	0.5
91.05460	4.1
93.07027	1.3
94.60419	0.3
95.04953	0.5
95.08585	1.2
98.57531	0.3
105.03369	6.6
105.07046	1.0
107.04971	0.4
107.08579	1.7
107.17729	0.2
107.20919	0.3
109.06531	0.4
109.10144	2.0
111.08009	0.3
119.04907	3.7
119.08578	0.7
121.10092	0.6
122.03610	1.5
124.93713	0.3
128.00249	0.3
129.27933	0.3
131.08479	0.4
132.02043	0.5
133.02829	79.6
133.10103	1.4
135.04527	0.3
137.05981	0.5
137.09657	0.3
145.10126	0.5
147.04391	3.5
149.09616	0.5
150.03130	3.5
151.03885	12.6
159.11644	0.4
160.01526	0.4
161.02312	59.3
163.11188	0.5
165.05418	6.1
168.31657	0.3
173.11685	0.4
175.03874	2.9
178.02592	7.4
180.70541	0.4
181.86679	0.3
193.04935	100.0
194.05235	0.5
207.26311	0.3
275.19998	3.6
293.20981	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.8
57.03420	3.8
57.07066	60.8
57.14703	2.1
61.78481	2.2
62.06081	20.8
67.05495	8.6
69.07065	11.3
70.88750	2.5
71.08622	35.5
73.21453	2.1
75.04357	2.1
76.02433	2.2
76.94917	2.0
77.29213	2.1
79.05465	2.4
81.07040	4.8
83.08610	4.9
85.10168	19.1
89.06020	27.8
95.08595	10.0
98.98452	5.9
109.10170	3.6
111.47702	2.2
133.08566	11.8
155.01050	5.3
164.02985	2.3
177.65204	2.8
224.71375	2.7
283.17383	5.1
310.31036	13.5
341.30450	100.0
421.27087	4.1
465.37689	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	482.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
53.33964	0.8
55.01866	6.4
55.05506	35.0
55.05767	2.3
57.03428	1.0
63.82163	0.9
67.05491	50.0
69.03397	1.3
69.07059	13.9
79.05475	35.1
81.03403	7.9
81.07040	39.3
83.04965	8.3
83.08600	28.4
85.02882	1.5
85.06498	1.7
89.06017	2.4
91.05464	41.9
93.07028	34.9
93.07483	0.9
95.04940	42.0
95.05518	1.9
95.08583	23.0
97.06514	7.7
97.10135	6.2
105.07015	39.9
107.04948	14.2
107.08580	25.9
109.06493	7.8
109.10139	19.3
111.08062	5.9
117.07020	17.3
119.08554	41.6
119.09397	1.7
121.06447	7.4
121.10138	16.7
123.08059	6.6
123.11691	1.4
125.09594	7.5
129.06978	6.6
130.07784	1.2
131.08551	17.7
133.06482	1.4
133.10103	28.5
135.08017	5.4
135.11630	9.6
137.09555	7.3
139.11177	2.0
141.06906	1.8
143.08545	4.3
145.10101	29.1
147.08002	4.8
147.11662	13.1
149.09602	29.0
149.13261	2.0
151.11183	4.8
151.92146	1.1
155.08528	2.5
157.10097	4.8
159.11649	12.4
161.13242	4.9
163.11145	35.6
165.12721	4.9
169.10150	4.9
171.11685	5.0
173.09561	5.9
173.11874	1.7
173.13142	7.4
175.11188	1.6
177.12711	2.1
179.14265	1.6
183.11700	5.0
187.11223	4.1
189.11154	2.4
189.12772	1.8
191.14339	1.5
197.13261	4.7
205.12239	4.6
205.22061	1.1
215.18100	1.3
223.13275	17.0
229.19562	4.3
237.20518	1.1
239.17897	13.2
257.18942	15.6
275.20007	100.0
293.17767	1.5
293.21036	38.7
373.24994	1.2
479.68118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01855	1.4
55.05497	8.5
57.03429	7.5
61.02923	5.7
62.98141	0.5
65.03890	0.5
67.05144	0.9
67.05489	20.9
69.03397	1.0
69.07052	13.0
71.04964	1.5
73.02891	1.4
75.03231	0.6
79.05466	7.9
81.03392	1.1
81.07037	60.4
82.59842	0.6
83.04945	4.4
83.08611	7.0
85.02898	5.4
85.06527	4.3
91.03926	0.9
91.05453	17.3
93.07028	7.8
95.04946	3.4
95.08582	15.2
97.02867	2.4
97.06515	5.8
97.10163	0.8
99.04413	0.8
99.08070	3.1
105.07013	26.6
107.08582	8.4
109.06499	5.8
109.10114	1.1
111.08086	0.7
113.06018	1.5
115.07551	0.9
119.08559	24.7
121.02847	7.5
121.10126	20.1
123.08052	5.4
123.11680	28.5
127.03876	0.8
127.07539	3.0
129.06969	0.7
131.08513	1.4
133.06444	1.5
133.10114	4.5
135.04445	0.7
135.06000	0.6
135.80734	0.6
137.05946	12.0
137.13228	1.2
138.06277	3.0
141.09079	0.8
145.10098	0.9
147.11664	70.6
157.10100	4.1
165.12714	30.3
175.11157	3.1
183.13791	2.6
193.12201	2.8
211.13275	1.1
229.14363	6.6
267.15854	48.0
285.16907	100.0
447.22150	1.1
452.39612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01859	2.2
55.05508	8.5
57.03166	0.8
57.03427	10.0
59.04992	0.5
59.88997	0.4
61.02918	5.7
67.05492	13.1
69.03416	3.7
69.07060	4.3
71.01302	0.5
71.04974	3.0
73.02892	1.1
79.05472	12.4
81.03401	58.9
81.07042	16.3
83.04966	13.1
83.08604	19.0
85.02892	22.4
85.06523	0.7
89.07363	0.5
91.03940	0.7
91.04888	0.7
91.05463	19.4
92.09333	1.3
93.07027	10.9
93.12449	0.5
95.04948	23.9
95.08607	4.7
97.02850	5.8
97.06505	2.7
97.10163	3.2
99.04448	0.7
99.08054	0.6
105.07012	13.9
107.04938	5.8
107.08586	5.5
109.06503	3.5
109.10133	1.1
111.04446	1.2
111.08072	10.7
113.05974	2.5
115.05421	0.6
117.07028	0.5
119.08562	13.1
121.06467	0.5
121.10117	6.0
122.03665	0.5
123.08042	2.6
123.11690	1.9
125.09582	0.9
127.03918	0.9
129.07010	8.1
131.07623	0.8
131.08513	7.8
133.06459	3.1
133.10110	6.7
137.05951	11.1
138.06277	3.5
142.07779	2.3
147.08038	2.3
147.11674	14.8
149.09579	4.8
149.14049	0.6
157.10086	13.7
165.12711	3.3
175.11139	14.2
193.12209	50.1
211.13264	34.0
229.14201	0.6
254.54045	0.6
267.15845	11.7
285.16916	100.0
345.57431	0.5
429.20972	0.8
433.13272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
54.81240	1.4
55.01870	3.5
55.05498	7.9
57.03423	8.8
58.77101	1.3
61.02917	7.0
65.03900	1.9
67.05500	14.1
69.03412	7.0
69.07060	2.9
71.04976	3.3
72.08133	2.5
73.02898	1.6
79.05483	27.4
79.40121	1.7
81.03411	19.8
81.07039	19.9
83.04949	6.4
83.08601	7.4
84.74380	1.4
85.02896	24.4
85.06557	2.3
86.09687	3.3
91.03933	2.2
91.05468	60.3
93.07029	23.0
94.06560	2.0
95.04957	16.6
95.08582	6.4
97.02889	7.5
97.06496	5.7
99.04459	3.0
101.05987	1.7
103.03973	11.7
103.05442	19.6
105.07018	41.9
107.04945	56.6
107.08574	8.5
109.02895	1.6
109.06485	7.7
109.85527	1.5
111.04425	3.5
111.08048	3.4
115.05439	9.7
117.06995	3.5
119.04927	30.9
119.08568	21.7
120.08070	3.8
121.06474	8.0
121.10125	39.3
122.03622	8.0
122.07301	1.6
123.08059	2.3
123.11737	1.9
124.99944	1.8
125.06017	2.2
127.03896	7.6
129.06985	23.4
131.04915	20.3
131.08551	25.6
133.02859	2.1
133.06474	16.1
133.10109	37.5
135.08041	14.1
137.05957	100.0
137.09477	1.8
142.07822	2.5
145.04903	3.5
145.06537	2.1
145.10081	2.0
146.07188	3.0
147.04395	23.5
147.08012	6.0
147.11678	66.6
148.05077	2.3
149.05952	8.5
149.09602	50.1
150.06749	2.8
150.68990	1.7
151.07524	42.5
157.06494	6.9
157.10101	29.5
161.05949	97.9
161.09584	25.3
162.06715	9.2
163.07501	54.3
165.12701	8.2
167.08548	2.7
167.10666	2.6
174.06720	6.5
175.07520	13.6
175.11133	44.5
179.07037	3.5
181.08574	12.7
184.07318	9.5
189.09073	56.1
193.03156	2.7
193.06427	2.5
193.12230	36.7
195.08057	8.3
196.08745	1.6
207.10143	52.1
211.13225	14.2
219.10165	2.2
221.05963	3.6
221.09584	6.2
223.07521	6.1
223.13205	1.7
225.09114	2.9
227.10655	8.9
233.09511	1.7
239.07123	2.1
253.08539	2.3
253.12277	5.6
255.10077	6.1
265.08444	3.4
267.10068	2.0
267.15887	55.6
269.08075	2.9
285.11185	7.0
285.16922	97.4
287.12772	23.4
297.11115	6.3
299.12650	3.5
303.15448	1.9
311.12711	15.8
313.14316	21.3
331.15341	32.3
343.15448	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12468	0.6
53.41938	0.7
54.38766	0.6
54.81514	0.8
55.01853	2.8
56.36539	0.6
65.03909	1.4
67.05482	1.1
79.05496	6.8
81.03410	0.8
81.07026	1.3
81.61275	0.7
85.02878	1.7
91.05464	31.8
93.07011	1.5
94.04175	1.7
95.04925	4.5
97.06440	0.7
99.56091	0.6
103.05447	20.4
105.03399	0.9
105.07010	16.5
107.04942	49.8
107.08560	0.8
109.06537	2.4
110.05101	0.8
115.05424	8.1
117.06985	3.0
119.04920	30.3
119.08577	1.0
120.05721	0.9
121.06477	7.5
122.03591	6.9
123.08024	1.4
127.03876	1.3
128.06209	1.6
129.06982	7.5
130.04109	4.3
131.04901	19.4
131.08516	3.5
133.01169	0.7
133.02838	3.6
133.06470	8.8
135.04324	0.9
135.08005	14.1
136.05138	0.9
136.07492	0.7
137.05956	100.0
138.06299	1.0
145.06502	1.5
145.07550	1.3
146.03621	1.0
146.07239	4.1
147.04393	23.4
147.08040	1.6
148.05174	3.7
149.00600	0.9
149.05966	5.1
149.09547	1.1
150.06741	3.1
151.03841	0.9
151.07523	30.6
157.06474	5.5
161.05948	95.7
161.09586	23.1
162.06746	11.4
163.07506	50.8
163.08893	1.1
165.06891	1.2
167.08504	4.2
174.06760	5.5
175.07530	12.1
178.00789	3.0
178.07784	1.3
179.06995	3.7
181.08572	10.9
189.09077	51.2
191.07025	1.1
193.03137	9.8
193.06458	1.6
193.10071	1.6
195.08005	7.2
195.09674	0.6
205.10098	0.8
207.08180	1.7
207.10120	42.8
209.09462	1.0
210.06732	1.1
211.07443	0.9
219.10100	6.8
221.05901	2.8
221.09523	5.3
223.07614	5.0
224.08154	1.0
225.09079	3.2
227.06889	0.9
227.10606	10.4
233.09438	0.8
235.07547	0.8
237.08813	1.2
239.07025	1.3
249.09059	1.4
251.07042	0.9
253.08476	5.9
253.12056	5.7
255.10095	10.2
265.08618	1.7
267.10098	4.9
269.08157	1.5
281.11612	1.3
285.11087	7.0
287.12741	17.5
297.11087	2.8
299.12695	4.8
301.14310	1.0
311.12698	12.4
313.14288	17.0
325.14166	1.4
331.15317	30.3
343.15317	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	481.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	57.0
57.07057	17.6
67.05495	38.6
69.07050	66.2
71.08626	11.4
79.05487	21.2
81.07041	75.7
83.08599	35.8
91.05466	7.5
93.07027	38.3
95.08585	100.0
97.10157	10.6
105.07028	19.3
107.08598	22.0
109.06516	5.3
109.10127	35.4
119.08551	20.5
121.10143	12.4
123.08052	97.8
123.11711	10.5
133.10139	26.8
135.08058	29.6
135.11745	6.1
136.08797	8.6
137.09596	20.1
139.07512	21.8
145.10158	5.5
147.11649	6.8
147.49213	4.9
149.09579	22.1
151.07515	10.2
157.10194	8.2
159.11699	10.3
161.09662	9.0
165.09109	11.5
173.13261	7.9
177.09114	24.5
187.63316	5.9
189.12749	7.5
189.41971	5.2
232.52203	6.5
242.21646	5.2
399.36176	8.7
403.35455	20.9
417.37250	81.3
427.35718	27.4
445.36520	84.2
463.37457	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
55.01865	0.3
55.05506	0.2
57.03408	0.3
61.02917	0.2
63.38380	0.2
67.05507	0.3
69.03414	0.2
71.04972	1.0
72.08126	0.3
79.05470	1.6
81.03402	0.4
81.07028	0.5
83.04996	0.2
84.08120	0.3
85.02880	1.7
87.04400	0.3
87.68143	0.2
90.82816	0.2
91.05468	2.2
94.04174	2.8
95.04942	0.8
95.08577	0.4
97.02872	0.3
97.06485	0.3
99.04486	0.2
103.05450	0.8
105.06995	1.0
107.04981	1.6
109.06498	0.8
109.10134	0.4
111.04399	0.3
115.05384	0.3
116.98664	0.2
117.03426	0.2
119.04921	1.2
119.08556	0.4
120.08089	0.3
121.06469	1.5
122.03629	8.6
122.05972	0.2
124.07590	0.2
125.06026	0.2
127.03855	0.4
129.05489	0.2
131.04958	0.5
133.06477	0.3
133.10080	0.3
135.04395	1.6
137.05960	100.0
138.06293	1.0
138.09103	1.0
146.03616	0.3
147.04411	2.2
149.05951	1.3
150.05453	1.1
150.06670	0.3
151.03975	0.3
151.07536	2.4
152.07079	1.1
153.06952	0.9
161.05952	3.6
163.07495	1.8
164.07050	0.9
165.06944	3.8
166.07693	1.6
167.07030	1.0
167.08423	0.3
168.05704	0.4
174.06749	0.8
175.07552	0.4
175.14905	0.2
176.06142	0.3
177.06978	1.0
178.07735	0.9
179.08559	1.1
181.06459	0.9
182.07228	0.9
183.08040	1.1
187.07562	0.2
187.09204	0.2
191.07100	0.6
191.08530	0.3
193.06474	2.7
194.07254	6.7
195.08014	1.1
196.05237	0.3
196.08910	0.3
197.09583	0.3
199.07576	0.3
205.06493	2.5
206.07243	0.9
207.07988	0.9
209.09604	1.2
210.06757	2.2
211.07509	1.9
216.13774	0.3
219.08006	0.5
221.05937	4.5
222.06717	4.4
223.07510	1.4
224.08302	1.4
225.09084	2.3
227.06967	0.8
228.07832	0.3
233.05975	0.5
234.06725	0.3
235.07677	0.4
236.08310	0.4
237.05527	0.3
237.09058	3.8
238.06285	0.4
238.09824	0.3
239.06882	2.0
239.10506	0.3
240.07765	0.3
243.14818	2.3
244.13255	0.8
249.09109	0.5
250.06041	1.6
251.06982	1.5
252.07706	0.9
253.08601	2.1
254.09366	1.0
256.07443	0.3
264.07663	0.3
265.08551	12.3
266.09213	0.4
267.10089	2.4
270.08740	0.5
271.09552	2.3
271.14102	0.3
273.11087	0.3
277.08542	1.1
281.07748	0.2
282.08698	1.5
283.09583	0.8
283.14975	0.2
285.11227	5.0
289.15457	2.3
297.11182	11.7
301.15466	0.9
306.64178	0.3
309.11252	1.9
315.12228	11.1
319.16425	0.4
319.19919	0.4
327.12170	1.0
344.97314	0.2
367.64673	0.2
433.16183	0.4
481.16660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01859	10.4
55.05500	8.0
57.03431	19.5
61.02910	2.8
65.03930	2.2
67.05498	41.7
69.03420	3.1
69.07042	8.4
70.06614	1.8
71.04989	3.2
72.08130	5.7
73.02908	3.1
79.05056	2.4
79.05478	43.4
81.03406	19.7
81.06606	1.6
81.07046	33.6
83.04595	1.2
83.04971	18.8
83.08611	3.1
84.74234	1.3
85.02895	12.3
85.06525	6.3
86.09696	2.0
91.03898	1.2
91.05463	23.3
92.08667	3.2
93.03422	1.2
93.07024	42.5
95.01308	1.7
95.04948	17.9
95.08587	16.9
97.02875	6.9
97.06528	16.6
99.04414	7.0
102.34352	1.7
103.03936	9.4
105.07050	11.9
107.04945	40.2
107.08583	21.3
108.08134	1.7
109.02854	1.9
109.06511	3.2
109.10152	2.5
111.04430	20.3
111.08058	8.4
117.07000	15.2
119.04957	2.2
119.07989	1.1
119.08585	20.0
120.08070	2.5
121.02809	2.2
121.06474	6.8
121.10129	41.2
123.04400	2.0
123.08028	2.2
123.11694	2.3
125.05974	3.0
127.03905	6.4
129.05434	1.5
129.06987	5.9
130.07782	1.7
131.04941	5.9
131.08548	16.6
135.08018	2.7
135.11682	34.1
136.07556	1.8
137.05952	8.8
145.04959	2.2
145.06494	11.1
145.10107	44.2
147.04439	2.1
147.07990	3.2
147.11656	1.6
149.09596	10.6
153.12712	8.3
155.08504	13.2
163.11140	49.2
173.09590	27.8
181.12144	10.8
191.10669	25.1
209.11720	9.6
211.07489	1.2
218.66650	1.2
227.12685	11.8
265.14264	14.3
283.15390	58.0
301.11838	4.9
301.16418	100.0
302.15005	6.1
315.26880	1.4
463.21906	9.2
481.16443	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01846	0.2
55.05487	0.2
65.03942	0.2
69.03421	0.3
79.05466	1.4
81.03419	0.4
81.07044	0.5
83.10742	0.2
85.02890	0.3
89.74776	0.2
91.05460	1.9
93.07032	0.4
94.04168	3.1
95.04936	0.4
95.08547	0.3
99.03972	0.3
103.05506	0.3
105.07028	0.5
107.04932	1.1
109.06505	1.0
115.05457	0.3
119.04885	0.5
121.06506	0.5
122.03633	8.4
131.04924	1.1
135.04391	0.2
137.05962	100.0
138.06334	0.5
141.06972	0.3
146.03627	0.9
147.04393	0.5
149.05971	1.0
151.03902	1.4
151.07538	0.9
153.06952	0.3
159.22105	0.2
161.05956	2.8
165.06964	2.8
166.07747	1.3
167.08624	0.3
171.07970	0.3
177.06982	0.4
178.07729	1.0
179.07127	0.2
179.08533	0.9
181.06442	0.9
182.07272	1.2
183.08026	0.3
184.82079	0.2
193.06425	1.4
194.07240	5.4
195.08046	0.5
196.08897	0.2
197.09596	0.5
199.07549	0.3
205.06485	2.1
206.07257	0.9
207.08044	0.3
209.05904	0.2
209.09610	0.5
210.06757	1.4
211.07561	1.4
212.08275	0.2
212.30418	0.2
221.05908	2.6
222.06731	3.4
223.07475	0.2
224.08263	0.4
225.09070	2.0
227.06967	0.9
233.06015	0.9
234.06720	0.5
235.07498	0.8
236.08231	0.3
237.09090	2.6
238.06317	0.3
239.06990	0.9
249.09053	0.4
250.06091	0.4
251.06816	0.3
252.07797	0.5
253.08546	1.4
254.09467	0.3
259.09628	1.1
262.06253	0.2
265.08569	7.9
266.09280	0.4
267.10126	1.2
271.09610	0.5
277.08597	1.5
281.08243	0.3
282.08923	0.5
283.09586	1.2
283.15372	0.4
285.11179	5.7
295.09570	0.3
297.11246	6.3
309.11292	0.5
327.12125	0.4
341.11731	0.4
361.14053	0.4
385.35602	0.3
395.65997	0.3
401.13794	0.9
421.16336	3.8
433.16342	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.08044	0.3
59.95209	0.3
64.33206	0.3
65.03920	0.5
67.05489	0.6
69.03424	0.3
71.04976	0.4
72.08141	0.4
79.05465	1.4
81.03396	0.5
81.07038	1.3
83.08622	0.4
85.02918	2.2
86.09690	0.5
91.05451	2.5
93.06988	0.5
94.04165	3.3
95.04945	0.6
95.08562	0.6
97.02777	0.3
99.04435	1.2
103.03909	2.1
103.05439	0.3
105.06972	1.0
107.04922	1.4
107.48348	0.3
109.02866	0.3
109.06518	1.2
111.04440	0.4
119.08534	0.4
121.06474	1.3
121.10101	0.4
122.03626	10.3
127.03884	1.6
130.85477	0.3
131.04897	0.5
133.06493	0.4
137.05957	100.0
138.06244	0.4
143.16016	0.3
147.04373	1.3
149.05943	0.5
151.03899	1.7
151.07495	0.5
153.01802	0.4
157.07602	0.4
158.05995	0.4
161.05965	2.9
163.07564	0.3
165.05754	0.4
165.06944	3.3
166.07759	1.4
167.08545	0.4
175.11131	0.3
177.06937	0.7
178.07780	0.6
179.08485	1.4
181.06358	0.5
182.07246	0.7
183.08054	0.3
189.07082	0.3
193.06314	2.2
194.07283	4.7
194.08881	0.5
195.08083	0.7
197.06009	0.4
197.09581	0.5
205.06454	2.7
206.07307	0.4
207.08063	0.6
209.09555	0.4
210.06737	1.9
211.07469	0.7
221.05917	2.6
221.35605	0.3
222.06683	3.9
223.07475	0.5
224.08315	0.6
225.09079	1.8
227.06920	0.4
233.05914	0.6
234.06804	1.3
234.69861	0.3
235.07492	0.5
236.08122	0.4
237.09090	2.9
238.06276	0.5
239.06978	0.7
249.09106	0.7
250.06137	0.6
251.06978	0.6
253.08490	1.9
259.09625	0.7
265.08527	9.5
266.09213	0.4
267.10175	1.4
277.08508	0.7
283.09656	1.2
285.11212	5.7
297.11209	6.9
299.13815	0.4
307.10052	0.4
309.11035	0.6
315.12216	0.4
361.14209	0.4
401.13541	0.7
414.25406	0.4
421.16394	3.5
433.16187	2.3
445.16760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03925	0.8
55.05507	25.1
57.03429	15.7
57.06846	0.8
57.07072	11.5
67.05499	17.0
69.07057	38.0
69.70223	0.8
70.48300	0.8
71.08620	6.2
79.05486	9.0
81.07040	21.2
83.04950	1.1
83.08607	23.8
85.10178	0.9
91.28381	0.7
93.07025	11.6
95.08588	19.0
97.06513	3.2
97.10155	12.1
107.08602	7.9
109.10161	9.5
111.07386	0.8
111.08087	1.6
111.11726	0.9
119.89272	0.7
121.10117	9.1
123.11703	1.5
135.11700	7.1
139.11000	0.8
149.13226	1.3
242.37451	0.8
269.88452	0.7
308.29385	4.1
337.07581	0.8
339.28891	100.0
340.29117	1.1
344.99283	1.0
399.59964	0.7
419.95090	0.9
420.01074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03929	0.8
55.05505	20.8
57.03432	7.1
57.07071	7.3
62.06079	22.2
67.05497	13.3
69.07055	28.3
71.08628	3.5
71.29034	0.8
76.47371	0.8
79.05476	4.5
81.07049	15.9
83.08606	18.7
91.05482	1.2
93.07022	7.4
95.08585	16.6
97.06541	2.0
97.10155	12.9
98.98463	10.9
105.03385	5.3
107.08590	5.4
107.09412	0.7
109.10134	5.5
111.11681	1.3
113.73567	1.0
121.10143	6.5
123.11678	1.6
131.26884	1.0
135.11653	5.3
149.05956	10.1
149.13283	1.1
155.01027	7.0
198.05251	0.9
216.06107	1.4
265.25134	1.7
283.47769	0.9
308.29446	14.3
339.28900	100.0
341.10208	3.8
352.04199	0.9
394.72906	1.0
419.25406	3.6
459.31061	0.9
462.29428	7.8
480.30331	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	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
53.94725	0.3
55.01861	9.8
55.05502	16.3
55.10761	0.3
57.03141	0.4
57.03424	10.5
57.07058	1.5
59.04992	3.4
60.11645	0.3
61.02908	5.7
61.75574	0.3
67.05486	9.7
69.03407	2.2
69.07059	3.8
71.01332	1.6
71.04977	4.3
73.02888	2.5
75.37668	0.3
79.05470	16.2
81.02937	0.5
81.03398	11.5
81.07035	16.2
83.01320	14.0
83.04962	13.4
83.08605	15.5
85.02410	0.6
85.02884	9.2
85.06524	0.9
86.09686	2.5
90.19257	0.4
91.03923	2.3
91.05463	10.9
93.07020	25.0
95.04947	6.8
95.08590	7.5
97.02864	5.2
97.06503	5.2
97.10123	0.7
99.04433	2.8
105.06998	8.4
107.04927	8.7
107.08578	12.6
107.82987	0.4
109.02858	0.7
109.06492	7.4
109.10132	2.2
111.04408	3.8
111.08064	1.4
112.92253	0.4
113.10996	0.3
117.06989	7.0
119.08553	10.1
121.06474	3.8
121.10112	8.4
123.04382	0.6
123.08033	7.8
124.99962	1.8
125.05949	2.2
125.09595	0.7
127.03885	0.6
129.06949	1.5
130.07701	1.5
131.08554	3.5
133.10095	2.0
135.07994	2.4
135.11665	15.5
137.05922	1.7
137.09552	2.1
143.08580	0.5
145.06430	0.5
145.10094	16.7
147.08009	3.3
149.09618	0.7
153.12701	5.3
155.08549	1.4
163.11142	28.5
165.09084	0.4
173.09581	5.1
181.12207	5.9
184.07321	4.8
191.10664	4.8
209.11690	9.7
227.12711	7.6
277.98395	0.4
283.15335	100.0
301.16339	1.9
317.82437	0.4
329.50824	0.4
445.20673	0.6
474.65997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
53.31108	0.3
55.01862	2.7
55.05508	5.3
57.03429	5.7
57.07049	0.5
61.02644	0.3
61.02913	3.8
62.59571	0.3
64.02419	0.3
67.05154	0.3
67.05491	9.4
67.93644	0.3
69.03398	1.7
69.06712	0.4
69.07050	4.2
71.04977	2.6
73.02877	1.8
74.18392	0.3
79.05477	14.1
81.03378	2.9
81.07036	12.0
83.01308	0.6
83.04984	2.8
83.08181	0.4
83.08600	7.1
85.02897	4.3
85.06514	0.3
91.03928	1.5
91.05467	4.0
93.06429	0.5
93.07024	24.7
95.04948	4.3
95.08588	26.1
97.02882	4.9
97.06516	2.8
97.10145	0.7
99.04449	3.3
103.05470	0.4
105.07019	4.7
107.04940	7.8
107.08582	22.1
109.06483	1.7
109.10173	2.3
111.04409	2.1
111.08036	0.6
113.05991	0.4
117.06241	0.4
117.07001	8.5
119.07740	0.3
119.08565	8.1
119.09399	0.6
121.06481	5.0
121.10123	10.2
123.08038	0.7
123.11684	0.4
125.05933	2.3
127.03881	0.5
130.07687	0.5
131.08539	0.5
133.10069	2.1
135.08029	2.2
135.11671	44.2
137.06018	0.5
139.07501	1.7
143.08492	0.6
145.10112	25.4
163.11153	58.9
173.09592	0.6
181.12204	13.2
191.10762	0.5
209.11737	1.7
227.12749	69.1
228.13126	0.4
259.26843	0.4
283.15356	100.0
284.15598	0.4
301.16336	1.3
370.57339	0.4
381.74448	0.4
445.11737	0.5
445.20438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26872	0.5
53.03939	2.3
55.01859	2.8
57.03426	13.5
59.04977	0.8
61.02917	9.4
65.03909	1.0
67.06765	0.6
69.03414	35.4
71.04963	2.5
73.02904	4.7
73.31082	0.6
81.03404	9.4
85.02887	100.0
87.04451	11.3
91.03918	6.1
91.05461	2.3
93.03362	1.4
93.06976	3.1
97.02867	37.2
99.04453	4.8
103.03917	1.5
103.05468	0.8
107.04901	0.7
108.97122	0.7
109.02873	8.9
111.04431	3.6
115.03905	9.7
117.06994	1.2
121.06474	48.9
125.05967	2.5
127.03886	18.8
130.63991	0.6
131.08508	1.5
133.04955	8.5
133.06454	0.8
141.06970	0.9
145.04935	22.1
145.06438	3.3
147.07988	0.7
150.07593	0.9
151.03902	2.9
151.07538	1.5
157.06450	1.5
159.07993	5.3
162.65878	0.7
163.05977	7.6
163.07265	0.9
169.04950	9.9
169.06404	1.0
171.07996	0.9
175.07487	3.6
179.07004	2.9
183.08011	1.1
185.05884	0.7
187.07462	15.3
187.08960	0.9
201.09065	1.1
203.01852	0.7
205.08543	11.0
207.37219	0.7
217.08582	1.1
229.08601	5.0
244.77100	0.7
247.09622	10.2
265.10675	8.6
301.12915	1.0
347.58057	0.6
443.59515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30321	0.1
55.05489	0.4
57.03428	2.7
58.84203	0.2
61.02908	0.3
63.13898	0.2
64.32949	0.2
65.03901	0.2
68.22182	0.2
69.03414	0.8
70.06570	0.4
71.04977	18.5
72.08139	0.3
73.02892	0.5
73.33286	0.2
75.04453	0.8
79.05453	0.8
81.03383	0.3
81.07033	0.9
83.04967	1.7
84.62299	0.2
85.02888	19.5
87.04456	0.8
91.05462	0.9
92.09296	0.2
93.07002	0.2
94.04159	1.6
95.04932	0.3
97.02892	0.7
99.04403	0.4
105.07005	0.3
111.04410	0.4
119.04966	0.3
119.08557	0.3
121.02844	0.8
122.03630	5.5
123.04456	1.5
127.03871	0.3
129.05469	4.7
131.04947	0.2
131.08528	0.3
133.06412	0.2
137.05956	100.0
138.06238	0.7
145.05020	0.3
146.08078	0.2
147.04420	0.3
147.06538	2.0
151.07523	0.4
155.06989	2.0
156.10155	0.3
164.09129	1.1
167.06984	0.7
179.07060	0.4
185.68047	0.2
191.07010	0.2
247.09570	0.3
247.13474	0.2
262.38495	0.2
265.10715	0.3
283.11826	0.2
283.15280	0.3
309.11627	0.3
329.68100	0.2
336.61398	0.2
336.77753	0.2
400.46469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.7
57.07072	71.2
59.50340	3.3
69.07055	7.0
71.04959	19.5
71.08617	50.2
76.30827	3.5
81.07046	6.0
85.10157	21.2
88.39474	3.9
89.06052	32.4
90.37825	4.2
91.83504	4.1
93.07043	7.5
107.08575	6.5
107.48113	4.0
110.84572	4.3
125.05973	63.2
131.08620	3.9
131.61443	3.7
145.10069	6.0
149.09616	6.4
151.07533	20.7
153.05464	100.0
163.07506	7.2
165.09077	18.8
177.09097	24.9
179.10609	8.8
181.08478	6.7
209.11865	7.2
279.19391	6.8
307.22641	5.3
374.61356	4.8
387.87869	4.1
399.54803	4.6
419.35049	27.9
461.35715	5.9
491.37085	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	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.0
55.05511	40.1
57.06812	5.9
57.07071	100.0
59.40504	4.1
60.58156	4.0
60.79872	4.2
67.05484	10.4
67.75661	3.9
69.07056	44.9
71.04977	5.5
71.08619	59.9
72.10399	4.4
79.05475	18.4
81.07030	45.9
83.04968	8.4
83.08599	24.6
85.10164	32.4
87.02619	4.0
93.07013	32.7
95.08591	33.6
97.06516	18.6
97.10166	18.6
101.05996	22.7
106.54166	4.0
107.08597	35.6
109.06488	5.5
109.10168	17.0
111.04393	4.2
111.08048	5.5
111.11700	6.3
112.58304	5.4
121.10098	17.1
124.07572	5.3
127.07542	59.5
129.05453	41.9
135.11649	20.0
136.07553	20.1
139.07556	4.5
139.32066	4.2
140.07121	6.2
149.09570	4.8
149.13203	6.4
154.91533	5.1
159.11787	5.0
163.14824	7.0
201.38605	4.6
222.14900	20.1
232.56187	5.0
307.29810	5.6
454.60843	5.2
461.37952	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	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.0
55.05511	40.1
57.06812	5.9
57.07071	100.0
59.40504	4.1
60.58156	4.0
60.79872	4.2
67.05484	10.4
67.75661	3.9
69.07056	44.9
71.04977	5.5
71.08619	59.9
72.10399	4.4
79.05475	18.4
81.07030	45.9
83.04968	8.4
83.08599	24.6
85.10164	32.4
87.02619	4.0
93.07013	32.7
95.08591	33.6
97.06516	18.6
97.10166	18.6
101.05996	22.7
106.54166	4.0
107.08597	35.6
109.06488	5.5
109.10168	17.0
111.04393	4.2
111.08048	5.5
111.11700	6.3
112.58304	5.4
121.10098	17.1
124.07572	5.3
127.07542	59.5
129.05453	41.9
135.11649	20.0
136.07553	20.1
139.07556	4.5
139.32066	4.2
140.07121	6.2
149.09570	4.8
149.13203	6.4
154.91533	5.1
159.11787	5.0
163.14824	7.0
201.38605	4.6
222.14900	20.1
232.56187	5.0
307.29810	5.6
454.60843	5.2
461.37952	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	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05498	0.2
57.07048	0.3
58.57228	0.2
58.78198	0.2
63.00266	0.2
65.03902	0.9
67.05475	0.4
69.07049	0.9
77.03904	0.4
79.05457	0.3
80.06244	0.3
81.07026	1.0
83.08604	0.6
89.03895	1.1
91.05456	23.2
93.07007	0.5
95.04938	0.4
95.08607	0.9
103.05441	1.0
104.02596	0.9
105.03376	0.5
105.06996	0.3
107.01288	0.4
107.04901	0.3
108.05721	0.4
109.10123	0.3
117.03371	0.3
118.04130	1.2
119.04915	33.7
121.02846	1.7
121.06492	0.3
122.03635	1.2
123.08000	0.3
129.03322	1.0
132.02045	5.4
133.02795	1.6
134.03560	0.3
135.04350	1.3
136.05202	1.9
145.02843	1.9
146.03619	2.1
147.04385	41.4
148.05125	1.3
149.02310	3.4
149.06027	0.3
150.03099	1.1
151.07507	1.4
157.03914	2.3
160.01524	12.6
161.02292	0.4
162.03072	4.4
163.03833	1.1
164.04659	7.3
174.03127	1.0
175.03867	70.5
176.04523	1.3
177.01819	0.3
177.05408	0.3
178.02568	6.1
179.06995	11.6
180.04126	0.3
189.05379	0.2
192.04112	5.4
193.04901	3.2
207.06490	100.0
208.06834	1.2
248.89369	0.3
410.34140	0.3
416.18475	0.4
479.22748	10.4
479.29514	0.3
480.22882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85931	0.2
53.00306	0.3
53.96970	0.2
54.81437	0.2
55.05500	1.3
57.07058	0.5
61.40076	0.3
65.03928	1.3
67.05486	0.3
68.56786	0.2
69.07058	1.4
77.03920	1.2
79.05489	0.4
81.07062	0.9
83.08627	0.6
89.03899	1.1
89.19759	0.3
91.05457	41.0
92.63660	0.3
93.07008	0.3
95.04974	0.4
103.05433	0.6
105.03377	0.5
107.04961	0.3
107.08556	0.3
108.05715	0.3
118.04134	0.5
119.04916	68.1
121.02825	0.3
129.03342	1.0
131.04868	0.3
132.02043	2.9
133.02832	0.5
135.04402	1.1
136.05165	1.3
145.02797	1.2
147.04385	59.0
149.02338	2.3
149.05905	0.3
150.03003	0.3
157.03943	6.5
160.01523	0.4
162.03110	0.5
163.03903	0.4
164.04688	2.1
175.03868	83.8
176.04289	0.4
179.06982	6.0
192.04115	2.3
207.06490	100.0
208.06819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70787	1.2
53.03934	2.5
54.11405	1.3
55.05498	7.6
57.03418	2.4
58.95811	1.2
62.51892	1.3
64.67384	1.1
67.05490	15.1
69.07053	2.9
72.56521	1.2
74.86668	1.6
79.05473	19.9
80.05805	2.5
81.03392	2.1
81.07016	12.3
83.04980	3.2
83.08584	1.9
84.30396	1.4
91.05463	33.7
92.05808	2.1
93.07016	17.2
94.04151	2.6
94.07366	2.8
95.04938	10.5
95.08568	8.5
97.06519	2.6
101.37147	1.3
103.05443	6.0
105.07022	16.4
107.04944	8.5
107.08573	8.8
109.06473	2.0
115.05474	10.4
117.07016	7.1
119.04931	11.3
119.08559	9.7
121.02812	1.4
121.06477	9.3
121.89234	1.4
122.03622	13.0
123.04465	1.6
123.08057	9.8
128.06195	2.8
129.06982	16.1
131.04927	6.7
131.08553	2.4
133.06479	2.0
133.10126	2.8
135.08067	3.5
137.05963	100.0
143.04901	2.0
143.08565	1.8
145.06453	5.5
145.10077	2.6
146.03647	2.0
147.04424	2.6
147.11674	6.4
149.05960	2.0
149.09663	2.2
151.03856	3.4
151.07524	72.5
152.06065	1.4
157.06451	2.6
161.05942	23.1
161.09518	3.0
161.13385	1.9
163.07541	2.7
165.06956	1.6
165.09061	3.2
171.11693	2.7
174.06737	2.1
175.07535	6.1
177.06981	2.2
177.09038	2.3
179.06990	3.1
179.08534	1.8
181.06482	2.9
189.09109	11.2
191.08556	2.4
195.08276	2.7
195.10155	16.7
205.06432	7.1
207.10132	3.5
207.13783	3.5
208.14108	2.1
209.06068	1.9
210.06790	2.3
221.05869	5.5
222.06757	7.4
225.09094	6.2
234.06792	2.6
237.09047	11.0
241.08492	2.2
247.07588	2.5
249.09225	1.9
250.06252	6.1
253.08595	2.9
265.08514	17.6
266.09451	1.8
267.10062	2.6
268.07162	2.1
269.07938	2.4
281.17407	24.4
282.17755	13.6
283.09631	3.5
285.11163	9.7
297.11032	11.4
299.12933	2.9
311.12732	9.4
317.13617	3.4
341.13910	1.6
479.09985	2.0
479.20630	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	479.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20646	1.0
50.50620	1.0
52.08236	1.2
53.03934	1.0
53.86088	1.0
55.01851	1.7
55.05500	7.6
57.03429	8.4
61.02928	2.8
65.03978	1.3
67.05495	18.6
69.07053	2.9
71.04976	2.3
79.05475	30.3
81.03385	2.4
81.07037	19.8
82.07370	2.0
83.04976	10.3
83.08623	2.2
85.02926	1.7
91.05457	32.3
92.05830	2.0
93.07029	26.8
94.04162	3.2
94.07360	2.4
94.87937	1.5
95.04947	8.9
95.08582	12.7
96.08911	1.4
97.02916	2.0
97.06514	2.0
100.11280	1.9
103.05465	2.7
103.25907	1.2
105.07024	18.7
105.87907	1.3
106.07370	2.1
107.04961	2.3
107.08591	9.3
109.06511	7.7
109.10113	2.5
115.05445	6.1
117.07014	11.1
119.04911	8.1
119.08548	10.4
120.08900	1.3
121.06485	8.7
122.03635	12.5
123.08048	11.3
125.27420	1.3
128.06207	2.7
129.07011	13.8
130.07332	1.6
131.04906	6.3
131.08556	2.6
133.10135	2.1
135.08022	5.2
136.05148	5.2
137.05960	100.0
143.04791	1.7
143.08511	4.9
145.06468	2.8
145.10144	5.0
147.04420	2.0
147.08028	4.8
147.11699	10.7
149.06001	2.2
149.09673	2.2
151.03940	1.7
151.07526	60.7
153.06941	1.9
157.06496	6.1
161.05957	20.3
161.09599	3.2
161.13286	2.5
163.07547	5.3
165.07022	2.0
165.09093	2.3
171.11681	5.9
172.12024	2.5
174.06813	2.9
175.07506	6.7
177.06985	1.7
177.09113	3.2
179.08546	1.8
181.06438	2.5
189.09091	11.2
189.12662	2.5
190.13016	1.7
194.07233	1.7
195.08339	2.6
195.10135	19.8
205.06465	7.7
207.08112	1.9
207.10133	1.8
207.13879	2.5
210.06696	1.5
210.57027	1.5
219.08002	3.2
221.05861	2.3
222.06783	2.5
223.07539	1.6
225.09091	2.2
233.06123	1.5
234.06641	1.3
235.07518	5.7
237.09105	8.7
238.06190	2.2
240.07698	2.2
241.08495	1.9
249.09164	1.4
250.06267	1.9
253.08466	2.8
265.08539	16.2
269.08081	1.9
277.08527	2.2
281.17422	45.0
282.17780	21.9
283.09665	5.6
285.11288	9.5
297.11179	13.3
311.12714	7.9
317.13721	2.9
323.12598	2.7
358.03183	1.4
420.37396	1.6
479.26028	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69428	1.2
52.45136	1.4
55.01862	3.5
55.05514	13.5
56.05014	1.8
57.03429	3.2
58.99567	3.4
59.74225	1.4
67.05489	15.6
69.03411	7.8
69.07047	3.5
70.06580	2.7
71.04976	2.0
72.08154	2.9
76.02206	17.4
79.05473	16.5
81.03406	40.7
81.07047	13.6
83.04979	20.1
83.06125	2.3
83.08616	13.3
84.04494	92.9
84.32928	1.5
85.02903	13.6
85.06541	3.0
86.99044	6.5
91.05472	15.7
93.07017	8.9
95.04944	14.5
95.08594	3.1
97.02863	7.6
97.06493	9.8
97.10159	3.7
98.97567	2.0
99.04443	3.0
101.06012	2.4
102.05537	2.2
103.05451	1.8
105.00094	11.7
105.07012	13.2
107.04954	2.4
107.08577	6.9
109.06497	3.4
109.10117	2.3
111.08090	2.8
114.92823	1.5
119.08552	9.4
121.02846	9.6
121.10130	2.3
122.02713	64.2
123.08015	2.0
129.06976	3.2
130.04977	45.9
131.08553	9.0
133.10117	3.4
134.03871	1.7
136.07613	2.3
137.06004	11.2
142.03230	16.5
145.04948	2.3
147.11685	7.8
149.09659	1.8
151.11119	1.9
153.62073	1.9
157.10107	6.8
168.06464	1.8
175.11153	8.2
177.05397	2.3
188.03746	10.6
193.12236	19.3
199.07010	1.8
207.04755	1.9
211.13310	28.1
222.17621	1.7
233.05637	2.0
234.04257	10.7
249.05571	2.3
251.04288	3.4
251.06917	100.0
290.12021	1.7
364.04761	1.9
460.75516	1.9
461.19302	2.5
479.19620	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	478.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.1
55.19008	4.7
57.07067	46.2
59.04796	4.9
65.81376	5.0
67.05491	10.7
69.07050	39.7
71.08614	36.1
81.07040	54.4
83.08586	13.1
85.10165	14.6
88.30531	5.5
89.26355	5.2
89.50790	5.4
93.07024	9.9
95.08582	49.9
97.10146	8.0
105.06979	7.9
109.06506	11.3
109.10129	27.7
111.04393	5.9
123.11667	6.2
127.03848	14.4
135.08051	10.8
135.11702	9.9
137.05949	100.0
141.83328	6.2
151.07512	14.5
155.08490	5.5
156.18114	6.2
159.07988	6.5
159.11659	26.9
173.09624	58.4
175.11159	5.9
177.09100	8.9
187.11131	33.8
191.10645	7.3
205.12158	11.4
281.89639	6.4
329.26218	6.6
335.32895	6.6
383.32898	34.0
397.34546	9.0
401.33942	12.1
425.34174	8.4
443.35245	70.1
461.36032	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	37.8
55.05489	1.2
56.72863	1.0
57.07064	8.9
59.03000	1.2
67.05480	6.3
68.05019	1.8
69.07054	12.0
69.76856	1.2
70.02920	5.6
70.06587	10.2
71.04977	32.3
71.08609	6.9
79.05467	7.4
80.04992	1.8
81.07035	8.6
82.06552	1.8
82.48875	1.3
83.04951	1.6
84.08109	2.0
85.10163	1.9
86.06039	2.8
91.05470	1.4
93.07031	1.6
94.06532	2.3
95.08585	4.9
96.08109	7.1
97.06497	26.6
98.06006	2.0
98.09674	16.8
106.06536	6.3
107.08595	4.8
108.08078	6.7
109.10149	2.5
112.07605	1.4
120.08061	3.0
122.06004	29.0
124.07560	54.1
129.71169	1.3
135.08058	1.7
136.07549	86.8
140.07043	33.5
148.07565	3.2
148.11237	1.8
150.12714	1.9
152.07053	2.2
153.07793	2.7
176.14241	8.9
194.15334	8.7
204.13817	16.1
222.14842	100.0
240.15797	2.5
349.01230	1.4
460.37726	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.69807	1.1
55.01868	1.3
55.05509	17.1
57.03432	7.3
57.07067	1.9
61.16763	1.0
62.06080	25.8
67.05495	46.1
69.07060	23.0
71.04957	1.2
71.08601	1.8
79.05473	14.9
81.06596	2.4
81.07046	41.7
83.08615	10.6
84.35082	1.0
91.05476	8.6
92.09377	1.8
93.07034	16.5
95.08594	29.0
97.06539	1.7
97.10127	1.4
98.06087	1.4
98.98454	15.8
105.07027	5.1
105.23100	1.3
107.08603	6.5
109.10127	10.4
119.08567	2.5
121.10125	4.9
123.11695	5.2
124.01582	1.9
133.10126	2.4
135.59763	1.2
137.05971	1.6
147.11662	2.7
155.00980	2.8
161.13214	1.7
173.02097	1.6
189.16280	1.3
198.05315	1.5
216.06317	1.6
242.68285	1.2
263.23697	6.0
267.45383	1.4
306.27881	14.4
337.27316	100.0
460.28250	5.8
478.29053	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	478.2928
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.00301	0.4
53.03930	1.0
55.01859	1.3
55.05508	24.7
55.37237	0.2
57.03430	16.4
57.07069	3.7
58.71970	0.2
61.30123	0.2
62.06078	0.4
65.03920	1.1
67.05494	45.5
69.07055	30.9
71.04976	1.2
71.08627	0.4
74.03407	0.3
79.05473	12.9
81.07041	48.4
83.04955	1.4
83.08113	0.5
83.08604	12.5
85.06534	1.2
85.10163	0.3
91.05460	9.6
93.07024	13.5
95.04953	1.5
95.08588	35.9
97.06512	3.2
97.10147	5.5
98.06036	1.3
98.98445	1.0
99.08064	0.4
105.07013	6.5
107.08579	7.1
109.06491	0.6
109.10147	12.9
111.08083	1.3
111.11719	0.9
117.07067	0.3
119.08567	5.4
121.10126	4.9
123.08022	0.4
123.11700	3.7
124.01581	1.0
125.09643	0.4
133.10103	4.1
135.11699	2.6
137.09579	0.4
137.13249	1.4
139.11128	0.3
147.11696	2.2
149.13249	1.1
151.14804	0.6
161.13237	1.1
163.14793	0.6
165.12762	0.3
175.14838	1.1
183.83138	0.3
198.05194	0.4
216.06404	0.3
263.23642	0.9
300.52682	0.3
306.27896	2.8
309.27353	0.2
337.27313	100.0
338.27673	1.6
358.30139	0.3
402.28119	0.3
477.25476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
52.48840	0.1
53.03923	0.6
55.05498	0.2
57.03428	2.7
61.02905	0.2
67.05492	0.2
68.17925	0.1
69.03413	0.5
70.06548	0.1
71.04977	16.0
72.05278	0.1
73.02903	0.2
75.04454	0.7
77.03893	0.3
79.05473	2.6
81.03408	0.3
83.04967	1.0
84.04460	0.1
85.02889	17.2
87.04454	0.3
95.04931	1.1
97.02879	0.2
97.06512	0.3
99.04444	0.5
105.03430	1.0
105.06971	0.2
107.04951	0.3
111.04436	0.7
125.43283	0.1
126.91064	0.2
127.03929	0.2
129.05450	4.0
131.08461	0.1
135.04393	100.0
136.04703	0.3
137.05930	0.2
145.05013	0.2
146.08128	0.2
147.06516	1.6
149.05972	0.5
159.11700	0.2
161.05904	0.8
161.09583	0.3
163.07558	0.2
164.09204	1.5
177.05435	0.2
179.07155	0.1
189.05339	0.2
189.09105	0.5
203.10579	0.2
205.12236	0.2
207.10098	0.3
219.06258	0.1
263.16345	0.2
271.11566	0.2
281.17493	0.6
290.97498	0.1
341.88074	0.2
368.96613	0.2
491.04611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
54.81617	1.1
55.01856	1.7
55.05503	9.7
57.03429	7.3
59.45284	0.8
61.02910	4.6
65.03917	1.6
67.05491	28.5
68.38712	1.0
69.03414	2.2
69.07050	9.0
71.04973	1.8
73.02892	1.0
73.06519	1.3
79.05475	60.2
81.03410	7.3
81.07038	27.0
83.04966	7.7
83.08600	4.9
85.02930	6.7
85.06509	1.3
91.03928	2.2
91.05462	39.9
93.07029	62.7
95.04957	18.2
95.08591	20.7
97.02872	5.6
97.06518	13.2
97.10143	1.5
103.05434	1.2
105.07020	34.2
107.04935	4.8
107.08578	14.1
109.02850	2.1
109.06483	4.8
109.10143	2.2
111.07982	1.0
115.05382	1.9
117.06983	4.9
119.08557	19.3
121.06479	4.6
121.10155	4.0
123.08042	1.9
127.03889	8.3
128.06239	1.1
129.06969	14.7
131.04918	4.7
131.08563	1.4
133.06476	1.7
133.10115	8.2
135.04364	1.8
137.05946	5.6
143.08528	9.1
145.04843	1.1
145.10101	9.2
147.08049	2.3
147.10590	1.9
147.11668	32.2
151.07527	2.0
159.11559	1.2
161.05952	7.2
161.09552	4.4
161.13208	10.1
163.07529	1.3
165.09065	1.7
171.11662	22.2
178.12123	1.2
189.09036	2.1
189.12744	8.7
207.13759	21.2
213.53275	1.0
225.14781	1.6
241.66643	1.0
281.17432	100.0
282.17667	1.3
299.18555	2.1
301.42560	1.0
303.15845	2.0
351.17966	4.8
369.18997	4.6
416.24020	1.7
418.46750	1.3
460.26834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06395	0.5
54.65681	0.6
55.01862	1.0
55.05492	1.2
67.05502	1.2
79.05479	5.7
81.07019	3.2
91.05456	12.7
92.09277	1.4
93.07034	1.1
94.04172	1.1
95.04957	1.2
95.08605	1.1
103.05446	2.4
105.07010	37.0
107.04938	0.7
107.08636	0.9
109.06503	1.1
109.10212	0.6
117.07015	0.8
119.04927	7.5
122.03651	4.6
124.05202	1.2
128.06242	0.7
128.81998	0.6
131.08537	1.4
133.06467	29.3
137.05954	100.0
143.08542	4.9
149.05998	1.5
151.07524	25.4
163.07530	4.3
165.09074	56.5
171.07973	5.0
172.08849	0.8
173.05908	1.6
177.09070	3.2
184.66010	0.7
188.08286	11.4
203.10649	16.9
274.94022	0.8
287.12698	2.6
297.11377	0.8
301.14420	1.2
317.15475	0.8
335.16440	0.9
353.17426	1.1
359.41367	0.8
399.22287	0.7
477.23526	12.2
477.34830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89164	1.8
53.00311	1.6
53.03930	4.5
55.01862	15.8
55.05509	53.9
57.03426	21.4
64.00619	1.8
67.05493	55.4
67.15043	1.9
69.03413	5.1
69.07051	13.6
71.04969	2.6
74.86185	2.0
79.05484	62.4
80.50983	2.4
81.03402	100.0
81.07040	51.8
81.71781	2.3
83.04972	15.0
83.08613	31.2
89.13667	2.2
91.05473	40.3
92.09341	5.0
93.07032	31.9
95.04957	35.6
95.08588	23.3
97.02855	2.8
97.06473	3.4
97.10155	28.6
105.07022	31.0
107.04954	24.2
107.08575	31.0
109.06516	12.7
109.10145	12.6
111.08063	10.5
115.05415	3.9
117.06986	21.8
119.08577	27.6
121.06500	32.3
121.10136	16.4
123.07995	3.7
125.09603	26.8
129.06982	25.5
131.04910	4.9
131.08537	21.8
133.06454	12.0
133.10098	11.5
135.04335	2.8
135.08015	3.9
137.06004	2.5
142.07730	2.9
143.08527	9.6
145.06456	17.1
145.10126	8.5
147.04437	3.6
147.08067	5.4
147.11682	10.6
147.54324	2.8
149.09610	5.1
151.40440	2.7
153.09082	3.6
155.08479	3.7
157.10049	18.2
159.07983	4.6
159.11725	4.0
163.11119	2.4
163.31042	2.8
165.09102	10.9
169.10139	3.4
170.10530	2.3
171.07993	2.2
171.11696	10.7
173.13292	2.1
175.11102	9.8
185.09659	4.8
189.11159	8.6
193.12183	22.0
195.11673	3.0
199.11188	2.3
205.12271	2.7
211.13184	4.0
215.14313	3.4
227.12791	14.3
233.15331	9.6
251.12276	3.0
267.15900	52.5
273.14993	9.0
341.21097	4.7
349.21509	3.3
359.48904	2.4
363.52222	2.3
367.22891	16.7
385.23627	26.8
403.24905	9.3
433.25760	21.6
459.27383	63.5
466.15643	2.5
477.23276	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95266	0.5
52.90231	0.5
54.32813	0.5
55.01859	0.9
67.05492	1.0
67.06786	0.6
67.67947	0.5
71.51634	0.5
77.77220	0.6
79.05487	5.7
79.05880	0.8
81.07034	1.3
82.07320	0.7
91.05466	9.6
93.06979	0.9
94.04146	1.5
95.04941	2.8
103.05441	2.5
105.07021	31.3
107.04959	1.2
109.06502	3.4
114.36355	0.7
117.07040	0.7
119.04926	8.1
119.08547	1.0
121.06459	1.1
122.03644	4.7
124.05186	0.9
128.06174	1.0
131.04933	0.6
131.08553	1.4
133.06468	30.7
135.08076	0.7
136.05128	0.7
137.05957	100.0
143.08560	6.9
149.05966	4.1
151.07520	23.2
160.09000	0.6
163.07506	4.7
165.09085	54.2
169.05002	0.7
171.08011	4.2
172.08838	1.1
173.05962	1.0
175.11148	0.6
177.09074	3.7
188.08282	13.9
199.11148	0.9
203.10641	24.4
238.10872	0.6
248.29207	0.6
250.07512	0.6
287.12695	3.9
301.14249	2.9
305.26492	1.3
353.17169	1.1
477.22296	8.1
477.28836	0.8
477.35068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73674	0.5
55.02973	0.5
57.03410	0.9
57.48819	0.5
57.94031	0.5
59.14782	0.5
60.95229	0.5
61.02906	0.9
63.99423	0.6
67.05463	0.7
69.03410	2.8
70.06582	1.1
71.04951	0.6
72.08102	0.7
79.05443	0.9
81.03395	1.5
84.04493	0.8
84.08122	1.1
85.02885	5.8
91.05452	0.9
93.07019	0.7
94.84116	0.6
95.08578	1.5
97.02908	0.8
97.06507	3.7
98.06850	1.0
99.04435	0.8
105.07024	1.3
107.04971	0.9
107.08507	0.7
119.08584	1.0
121.06440	1.3
123.04402	1.3
123.07980	0.8
127.03908	0.7
131.04898	2.8
137.05952	8.2
141.06978	1.0
145.06459	0.8
146.03572	0.7
147.04369	2.7
149.05962	1.0
151.07541	1.3
153.07014	0.7
154.07701	0.8
159.04382	1.4
160.05150	0.7
161.05939	7.2
163.07465	0.9
165.06949	16.3
166.07756	14.4
167.08546	1.1
169.85121	0.7
174.06708	1.4
175.07501	2.5
176.06165	1.6
177.05493	1.3
177.06981	7.5
178.07716	4.8
179.08470	5.3
181.06496	1.3
182.07170	1.4
183.07979	1.1
189.06952	0.9
189.09058	3.8
190.07753	1.4
190.09332	1.1
191.08606	3.4
193.04895	2.2
193.06497	8.7
194.07236	56.6
195.07961	5.0
199.07323	0.8
204.05632	1.2
205.06448	16.4
205.08359	1.2
206.07253	4.2
207.08081	3.2
208.08769	1.3
209.09599	7.0
210.06711	4.3
211.07420	4.5
219.08026	5.2
219.09935	0.7
221.05945	16.3
222.06703	38.7
223.07440	2.6
224.08263	3.4
225.08926	4.9
226.09695	0.7
233.05983	6.7
234.06689	2.4
235.07469	1.3
236.08258	3.4
237.09047	26.9
238.06290	1.2
239.06999	3.8
239.10666	0.9
249.08904	1.1
250.06250	8.5
251.07060	1.4
252.07777	3.0
253.08556	4.2
254.09256	3.8
261.11148	1.1
264.07791	2.4
265.08530	96.3
266.09100	1.4
267.06610	1.3
267.10089	6.2
281.08206	1.2
282.08820	5.0
285.11108	15.7
297.11145	100.0
298.11310	0.9
315.12253	3.3
379.50317	0.7
430.80289	0.8
477.19186	1.5
495.76788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90441	1.3
54.81468	1.4
55.01850	1.8
55.05499	2.3
57.03435	33.6
59.04994	3.2
61.02911	2.3
69.03421	100.0
69.07050	2.4
69.44517	1.7
71.04977	3.8
75.04449	4.2
79.05466	2.9
81.03393	4.2
81.07037	3.4
83.04940	3.3
84.04510	2.0
85.02898	72.7
85.06506	1.7
87.03946	3.1
87.04459	63.5
91.05466	3.8
95.04953	3.5
97.02882	57.4
97.06522	2.8
97.22690	1.8
99.04420	3.0
103.05263	2.0
105.07021	22.2
109.02861	2.3
109.06483	2.0
115.03152	2.8
115.03916	54.1
117.07021	2.0
121.06445	3.0
127.03849	4.1
129.07050	1.8
131.04884	2.5
133.04959	52.8
133.06473	25.3
133.10074	7.8
137.05946	33.9
138.06288	1.9
144.06529	2.5
145.04967	3.8
145.06506	2.5
165.09106	36.6
176.49260	1.7
177.09067	1.7
189.09047	2.0
207.10143	2.5
223.25066	2.0
259.07974	1.8
268.07513	1.7
347.65018	2.2
386.72473	2.4
475.32336	7.2
476.32645	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06285	0.3
53.00291	0.7
53.03931	1.6
55.01871	0.6
55.05508	14.8
57.02230	0.3
57.03431	14.6
57.07063	1.6
65.03906	1.8
67.05494	49.4
67.84000	0.4
69.07056	12.9
71.04977	0.7
79.05476	26.9
81.03377	0.5
81.07040	40.1
82.53236	0.3
83.04970	1.5
83.08611	3.5
85.06538	0.4
91.05466	11.9
92.15353	0.4
93.07027	28.3
95.04955	2.8
95.08588	32.2
97.06501	1.6
97.10133	0.9
105.04467	0.5
105.06363	0.6
105.07017	7.3
107.08584	11.5
109.06500	0.6
109.10143	10.2
117.07001	2.5
119.08572	4.3
121.10118	8.2
121.12515	0.3
123.11676	2.2
131.08522	3.8
133.10112	2.8
135.11687	3.3
141.08055	0.4
145.10112	2.2
147.11671	1.7
149.13271	1.8
158.81770	0.4
159.11638	0.7
161.13171	0.6
161.75476	0.3
173.13210	0.6
173.80251	0.4
175.14896	0.4
185.13235	0.4
187.14813	0.4
198.05215	0.5
198.13692	0.4
212.97940	0.4
216.06351	0.5
304.26334	2.2
335.25748	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	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.1
53.03920	1.7
53.58280	1.2
54.81453	1.7
55.01861	10.5
55.05504	22.9
57.03426	22.4
57.07053	3.4
59.41764	1.4
62.06072	7.4
65.03913	2.6
67.05144	3.1
67.05489	67.7
69.07054	21.2
70.07594	1.3
71.04949	2.0
73.02893	2.1
77.26810	1.4
79.05470	41.2
81.07033	57.8
83.04955	2.4
83.08596	6.7
84.86805	1.3
85.02884	1.6
90.60296	1.5
91.05451	22.7
93.07017	46.8
94.54747	1.5
95.04934	3.4
95.08578	38.8
97.06496	10.3
98.98434	3.0
105.06999	17.6
107.08571	24.4
107.62395	1.3
109.06478	2.2
109.10148	12.6
117.06992	7.9
119.08547	11.1
121.10110	13.1
122.87323	1.5
124.01550	1.7
129.05486	18.2
131.08525	19.1
133.10106	3.5
135.11665	7.9
145.10081	7.2
149.09727	1.5
149.13335	2.0
151.11116	1.9
159.11627	3.5
161.13220	2.2
173.13199	2.5
216.06282	2.1
243.20947	15.1
261.22079	6.9
296.72079	1.5
304.26282	3.7
335.25732	100.0
335.29813	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	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81711	0.5
53.00291	2.2
53.03939	0.9
53.68782	0.4
55.01860	3.2
55.05497	0.8
57.03429	36.4
59.04992	8.4
60.04514	3.6
61.02914	3.2
69.03414	100.0
70.06564	0.5
71.04958	0.5
73.02905	2.4
75.04452	6.2
75.30813	0.5
79.05489	0.8
81.03396	2.9
84.04478	0.7
85.02889	75.9
87.04449	62.3
91.03922	1.0
91.05447	0.8
95.04944	0.5
95.08621	0.5
96.04478	0.5
97.02866	70.9
98.06013	0.5
99.04441	2.2
99.58424	0.5
103.03954	0.7
105.07005	9.2
108.11584	0.5
109.02849	3.7
109.06542	0.5
111.04426	1.1
115.03905	63.6
124.05184	16.2
127.03869	6.2
129.06979	0.8
133.04939	60.2
133.06416	8.6
136.95218	0.6
137.05954	19.8
139.03893	0.8
144.06577	0.8
145.04919	6.9
145.06537	1.1
147.08087	0.7
148.05191	0.9
150.07616	8.5
157.06508	1.3
162.07655	0.7
163.06046	0.7
165.09081	25.7
169.05026	0.9
176.13641	0.6
177.09103	1.0
180.08644	0.9
182.15472	0.7
189.09137	3.3
197.07944	0.5
201.09140	3.3
207.10120	2.0
231.10175	2.4
241.07100	0.9
243.10176	3.3
259.08221	2.5
261.11133	0.8
277.09180	1.1
295.10287	0.7
312.12982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	1.3
57.03433	19.4
59.04988	2.3
59.34783	0.9
60.04522	2.2
61.02921	1.2
61.71245	0.8
63.41156	0.9
69.03418	58.7
73.02902	2.1
74.93137	0.9
75.04453	1.9
75.42776	0.9
77.27116	0.9
78.08935	0.8
81.03378	1.2
85.02895	40.0
87.04455	34.1
88.70942	0.9
91.05467	4.8
92.09338	2.1
97.02877	41.4
97.06516	1.1
99.04449	1.7
103.03936	1.1
115.03919	35.3
119.04916	19.5
123.04397	1.5
124.34525	0.9
127.03912	1.6
133.04951	25.2
133.06483	1.7
143.04884	1.9
145.04974	2.2
147.04390	100.0
150.07622	7.7
160.19345	1.1
161.06000	4.1
165.05450	31.3
171.04416	1.3
177.05443	1.0
184.12862	1.0
189.05418	3.4
189.09140	5.5
207.06534	6.2
241.07028	1.3
243.06609	1.0
279.08636	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	476.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89537	0.2
53.03929	0.5
55.01838	0.6
56.05020	0.6
59.05000	0.3
59.43504	0.3
60.04501	1.3
68.05007	0.5
69.03408	3.8
70.06570	2.5
71.04977	0.3
75.78327	0.3
80.04989	1.5
81.03397	4.1
82.06547	0.7
82.56531	0.3
83.04967	1.5
84.04488	18.6
85.02887	0.5
87.04366	0.3
96.04468	20.8
97.02870	4.2
98.06032	10.4
99.04425	1.4
100.03971	0.4
101.02373	0.5
102.05511	6.8
108.04453	0.5
109.02866	5.0
110.06033	0.5
111.04388	0.3
114.05512	1.2
114.60304	0.3
116.07081	5.9
124.03963	0.4
126.05489	19.4
127.03900	2.8
130.04977	6.0
138.05476	100.0
139.05826	0.7
140.07076	0.5
144.06534	22.7
144.07671	0.7
147.04420	0.4
148.06020	20.5
152.07021	0.5
168.06514	13.2
186.07590	10.3
230.10262	1.7
258.09729	1.2
273.10641	0.5
280.04688	0.3
291.11792	4.1
301.13861	16.0
329.13394	13.6
420.40891	0.3
476.18808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01857	3.3
57.03431	24.4
59.04984	3.3
61.02905	9.6
66.29746	1.1
67.05495	1.6
69.03416	60.2
69.07056	1.4
70.06573	6.0
71.04968	5.1
72.08114	1.7
73.02907	10.8
75.04445	5.6
79.05467	2.9
81.03400	10.9
81.07036	1.6
83.04961	1.5
84.04486	2.5
85.02890	75.1
87.03938	2.5
87.04450	54.6
91.05451	9.6
95.04921	1.8
97.02870	42.7
97.06492	2.1
98.97525	1.5
99.04430	3.2
103.03905	2.1
106.35065	1.3
107.04932	6.2
109.02871	3.1
109.06503	2.3
114.93478	1.5
115.03907	29.1
115.05442	6.5
117.06997	6.6
119.04929	22.8
121.02876	1.6
123.04401	7.9
127.03878	8.2
128.06171	1.8
129.06946	7.8
131.04890	14.6
131.08524	3.2
133.04948	17.0
133.06451	6.0
135.04366	2.4
137.05960	85.4
137.67592	1.3
141.06943	8.2
143.04904	8.7
143.08536	8.1
145.04901	7.0
145.06465	23.6
147.04388	100.0
149.05949	7.1
150.07666	1.8
151.03870	1.9
152.07025	2.4
153.05455	2.2
153.06972	3.0
155.08514	7.0
155.70528	1.6
156.35266	1.4
157.06432	12.9
157.10104	2.4
159.08000	8.9
160.05200	9.5
161.05949	25.5
161.09639	2.3
162.06648	2.9
163.07524	9.7
165.05470	32.3
165.06863	3.8
165.09116	1.9
169.06424	9.6
171.08020	8.5
173.05920	5.7
174.06776	5.8
175.03949	1.6
175.07489	28.4
176.04582	2.7
177.05481	9.0
177.09085	22.0
181.06407	12.0
183.08032	10.1
185.06023	3.0
185.09535	2.3
186.06738	3.0
187.07509	28.3
189.05443	6.7
189.09064	44.6
191.06972	20.4
191.10609	9.8
193.04922	2.2
193.08592	8.6
195.07945	2.6
197.06001	1.7
199.07510	2.1
200.08305	2.1
201.09077	33.0
203.07054	1.4
203.10678	12.0
205.08557	22.8
205.69814	1.4
207.06499	2.5
207.10150	7.7
210.06773	1.6
211.07507	5.4
213.09103	13.8
215.07054	7.5
215.10599	8.1
217.08635	14.4
219.10138	56.9
219.68901	1.8
225.09044	2.9
231.10133	12.6
233.11893	1.6
235.09602	8.8
243.06363	2.9
243.10118	17.1
249.11163	20.9
261.08109	1.6
261.11145	35.5
261.68591	1.4
271.09442	1.2
278.94434	1.4
279.09055	3.7
279.12210	53.7
279.17087	1.6
297.13263	6.3
301.65439	1.4
353.63818	1.4
449.79654	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	44.2
55.05503	7.3
56.64073	2.8
57.07061	5.5
67.05498	19.7
68.04995	6.6
69.07057	21.1
70.02938	5.7
70.06565	14.4
71.04975	34.7
79.05484	20.4
81.07034	26.8
83.08626	3.9
91.05476	7.3
91.28797	3.3
93.07025	4.6
95.08603	5.3
96.08112	5.5
97.06524	24.6
98.09668	20.1
108.08112	7.8
110.53097	3.3
114.05496	6.4
117.65170	3.3
120.08085	4.3
122.05989	35.9
124.07566	65.4
131.06378	3.6
136.07565	93.0
140.07030	40.3
140.49004	3.8
140.50084	3.6
148.07581	7.4
176.14349	14.0
194.15419	4.3
204.13794	15.9
222.14854	100.0
233.00974	4.2
280.16632	3.3
456.34692	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2666
Annotation	Ala Gln Thr Arg
Peak:m/z	Relative Intensity
55.05505	2.1
57.03428	2.7
65.43330	1.9
67.05502	2.8
69.07060	4.3
79.05487	3.7
81.07049	8.8
91.05464	3.7
93.07053	3.4
108.33556	2.2
119.08604	2.5
119.67303	2.2
121.10175	2.9
123.07994	2.7
147.04358	5.3
150.71974	2.2
151.32645	2.8
176.94524	2.3
180.87384	2.2
181.42366	2.2
198.36559	2.2
235.12918	9.5
263.12488	2.9
291.15674	2.5
303.23154	3.1
336.05219	3.0
475.26669	100.0
475.33398	4.2
476.26486	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	474.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.9
57.03430	1.3
57.07072	12.9
60.88064	1.3
67.05495	27.2
69.07058	18.5
71.04990	11.5
79.05475	9.5
81.07038	20.5
83.08611	8.1
84.44240	1.5
85.06532	97.5
91.05465	15.7
92.08574	1.3
93.07021	25.9
95.08587	52.9
97.10116	2.4
99.08080	1.5
100.11253	2.4
105.07018	53.5
107.08582	26.8
109.06514	1.7
109.10162	14.2
111.08071	2.0
113.00386	1.1
113.09634	63.8
115.05458	1.6
117.06996	11.2
119.08567	68.0
121.10139	17.5
123.08064	1.5
123.11685	2.2
128.06223	5.5
129.06996	12.3
130.07822	2.0
131.08543	35.6
133.07706	1.1
133.10104	30.1
135.11658	5.4
137.05972	1.4
141.06958	2.4
142.07733	9.3
143.08543	33.2
143.09598	1.8
144.09329	2.1
145.10123	51.2
147.11676	44.7
155.08566	2.5
156.09326	15.0
157.10120	39.1
159.11661	46.4
161.13219	11.6
163.11226	2.6
169.10069	2.5
170.10835	9.7
171.11656	40.4
172.12402	1.2
173.13226	19.4
175.14841	7.7
176.74646	1.2
182.15359	1.6
183.11696	7.4
184.12486	2.7
185.13219	51.0
186.14050	2.5
189.12781	6.2
189.16399	2.3
191.29712	1.2
197.13286	6.2
198.14137	1.7
199.14813	20.2
201.16359	46.3
203.14336	5.8
211.14873	5.4
213.16347	1.5
215.17970	4.7
217.15903	1.9
217.19507	2.1
226.17168	7.2
226.79866	1.3
241.19458	43.4
259.20520	100.0
277.21561	46.1
362.65802	1.4
380.54297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.7
53.03946	0.5
55.05508	6.2
57.03424	1.0
57.07067	11.7
60.73762	0.5
64.15897	0.4
66.00427	0.5
67.05143	0.9
67.05491	23.4
68.86535	0.5
69.03423	0.7
69.07053	6.4
71.04977	3.5
79.05487	4.0
81.06627	0.7
81.07034	5.9
83.05006	0.5
83.08621	0.8
85.06528	100.0
91.05462	6.0
93.07018	9.0
95.04932	0.5
95.08585	16.9
97.10136	0.9
99.08043	0.6
99.11700	0.5
105.07018	13.8
107.08572	9.8
109.10137	4.3
111.08083	0.6
113.09627	46.9
117.07001	4.4
119.08556	20.2
121.10110	5.5
123.08052	0.6
123.11633	0.8
128.06174	1.2
129.06976	3.6
131.08536	11.8
133.10103	8.1
134.81046	0.6
135.11623	1.2
142.07811	2.7
143.08527	9.2
145.10101	15.0
147.11679	11.0
147.12769	0.8
149.09624	2.2
155.08572	1.3
156.09357	3.6
157.10103	11.9
158.10912	1.0
159.11681	11.9
160.12498	0.7
161.13217	4.0
169.10104	0.8
170.10889	3.3
171.11644	11.3
173.13220	4.9
175.14809	2.2
183.11768	0.7
184.12422	0.8
185.13214	13.0
189.12741	1.0
189.16389	0.7
197.13292	2.3
199.14798	6.7
201.16344	12.8
203.14325	2.3
211.14857	1.2
212.15572	0.5
217.15926	0.5
226.17250	1.0
241.19453	12.8
259.20514	27.0
277.21579	9.0
367.92090	0.6
388.72311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00853	1.0
62.05550	1.1
69.07024	1.4
86.51234	1.3
92.08665	2.3
97.02870	8.3
109.77879	1.1
111.05560	7.3
115.07533	3.0
116.98638	1.1
120.04457	1.5
125.05857	1.7
125.95945	1.2
127.03874	2.2
131.69031	1.2
132.04439	39.1
134.05994	6.7
137.05934	2.1
151.06171	13.3
194.06708	8.3
202.09811	1.3
230.09221	2.0
242.09254	6.5
246.61571	1.3
257.10217	8.5
259.11865	13.6
277.12857	1.6
284.11447	5.2
302.12436	24.3
327.11902	2.7
345.12982	100.0
474.17056	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	474.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28531	0.1
54.81546	0.1
57.34934	0.2
69.03399	0.3
70.06566	0.2
77.03919	0.1
79.05473	0.8
81.03394	0.2
85.02889	1.3
86.09734	0.2
87.04472	0.1
91.05460	0.6
92.08673	0.2
93.07024	1.1
97.02899	0.6
97.06511	1.1
98.97562	0.7
99.04418	0.2
103.05448	4.1
107.04953	3.6
109.02853	0.3
116.98597	0.3
120.08085	100.0
121.08425	1.3
127.03916	0.6
128.98528	0.2
131.04906	2.4
133.58803	0.1
137.05942	0.2
138.05515	0.2
145.04971	0.3
146.99588	0.1
149.05995	1.7
166.08609	27.7
167.08899	0.2
177.03928	0.1
186.68268	0.1
193.07166	0.2
219.01776	0.2
237.02708	0.6
250.08514	0.2
289.12964	0.6
341.11060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67240	0.6
54.90999	0.6
58.45678	0.7
65.03908	1.1
68.99770	4.6
69.07037	0.7
72.39018	0.7
77.76269	0.7
81.07065	0.9
81.96004	0.7
85.02893	3.1
91.05489	1.2
105.07017	0.9
111.04457	1.3
114.40746	0.8
115.05420	1.0
117.05496	1.5
119.04959	2.8
121.02849	43.4
121.03777	1.3
129.07025	4.3
131.04898	2.8
133.06468	1.6
141.05484	1.1
143.04907	0.8
145.02838	3.3
149.87184	0.7
155.04832	0.7
157.06447	5.1
159.04407	10.3
163.03903	3.8
171.04404	3.1
177.05455	22.6
183.04393	9.3
183.08760	0.8
185.05975	4.1
187.03912	5.8
195.04456	1.3
197.05923	5.3
199.03909	1.5
211.03876	5.4
223.03761	5.9
225.05418	3.7
226.55949	0.7
227.03432	3.0
227.72128	0.7
237.01765	1.4
241.04898	1.1
242.05739	7.0
251.03340	3.5
253.04855	17.3
255.02870	8.6
269.04434	3.2
270.05173	18.8
271.05643	0.9
277.04907	1.2
279.02881	7.9
295.05997	3.1
297.03925	15.1
317.07867	1.2
345.07584	5.9
371.08884	1.4
373.06964	7.3
387.08701	2.8
389.10178	21.9
397.06970	1.6
413.10184	1.4
415.08057	70.8
431.11316	1.5
473.12231	100.0
474.12582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04862	0.7
51.41575	0.8
52.54782	0.7
54.61715	0.8
55.05238	1.4
55.05505	43.4
57.07064	13.5
67.05490	69.7
67.05851	2.2
69.07054	64.6
71.08607	6.3
74.55469	0.8
77.95028	0.9
79.05472	11.8
81.07037	100.0
83.08605	46.6
85.10164	3.6
86.33125	0.8
93.07014	12.4
95.08582	92.1
97.10147	47.4
105.07054	1.2
107.08574	6.2
109.10136	50.9
111.11684	16.1
119.71647	0.8
121.10094	5.5
123.11689	20.5
125.13236	6.1
135.11688	7.2
137.13243	9.7
139.14749	1.2
149.13220	2.2
151.14798	6.8
163.14760	1.0
165.16377	3.8
167.17911	0.9
179.17876	2.1
347.60516	0.9
354.44867	1.0
389.02408	1.0
401.41409	28.1
413.05280	1.0
419.42206	4.2
473.34329	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	473.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.5
53.03924	1.5
55.05234	1.8
55.05505	45.5
57.03431	1.2
57.07070	16.6
65.03921	1.3
66.05000	0.9
67.05495	75.6
69.07058	63.5
69.30988	1.0
71.08612	7.1
79.05471	8.6
81.07041	100.0
82.07378	2.0
83.08125	1.5
83.08609	42.5
85.10168	2.5
91.05438	1.4
93.07034	10.4
95.08589	99.7
97.10152	43.7
100.87398	0.9
107.08574	5.6
109.10146	52.2
111.11705	14.1
121.10102	6.5
123.11688	20.7
125.13210	4.5
134.98151	2.3
135.11667	5.1
137.13193	10.8
151.14764	3.9
165.16319	1.0
179.17961	1.7
212.79904	1.0
253.13277	1.2
376.48712	1.1
395.63083	1.2
401.41370	33.7
419.42477	12.6
473.26184	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	472.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81599	2.2
53.46986	2.6
53.51631	2.2
55.01854	2.3
55.05506	21.6
57.03431	28.8
65.03954	2.7
67.05491	70.6
69.03412	5.8
69.07053	21.6
71.04977	7.4
79.05479	58.1
81.03403	69.3
81.07033	43.1
83.04965	20.6
83.08596	3.5
85.02893	17.2
91.05459	100.0
93.07027	78.3
95.04943	16.3
95.08585	40.7
97.02883	12.6
97.06527	15.9
97.10162	6.5
105.06990	28.3
107.04941	7.0
107.08566	33.0
109.02870	5.1
109.06511	4.7
109.10152	26.1
117.06984	17.6
119.08559	72.4
121.06477	12.5
121.10143	13.8
123.08069	4.0
127.03897	14.6
129.06958	3.6
131.08556	11.4
133.10138	5.0
135.08014	4.8
135.11650	33.9
137.09584	40.3
143.08530	3.0
145.10112	12.2
147.08064	15.7
155.33438	3.1
159.08035	11.0
163.11093	4.9
165.09076	32.4
167.38669	2.6
181.12225	6.2
183.10086	12.4
192.89337	2.7
211.13351	3.0
219.00175	3.3
239.12787	11.8
255.15862	49.1
255.70345	3.0
257.13803	19.3
257.18997	4.5
275.19992	36.8
293.21030	3.2
335.21991	3.9
383.21964	5.7
401.23178	14.6
419.24283	50.0
427.44519	3.0
437.25235	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15322	2.0
55.01864	9.4
55.05514	17.4
57.03423	10.5
57.07072	4.2
57.76055	1.9
65.16691	1.7
67.05489	38.4
69.03403	4.3
69.07062	29.4
79.05466	32.4
81.03398	20.9
81.07037	51.3
81.07477	2.7
83.04972	19.2
83.08598	8.9
85.02889	10.2
91.05461	38.0
93.07017	44.0
95.04947	13.8
95.08582	26.1
97.02901	4.6
97.06501	4.6
97.10163	4.0
99.04419	2.7
103.05495	2.2
105.07015	36.2
107.04960	14.1
107.08578	26.9
109.02861	8.3
109.06506	19.3
109.10140	15.9
117.07027	11.8
118.49705	2.0
119.08561	32.8
119.13396	1.7
121.06511	18.6
121.10140	15.4
123.08090	7.8
127.03913	11.7
129.06978	8.4
131.08533	24.1
133.06464	3.3
133.10112	24.4
135.08066	3.4
135.11693	12.4
137.09579	3.1
143.08513	2.7
144.74225	2.4
145.06459	2.2
145.10101	16.3
147.08061	4.9
147.11662	19.2
149.09579	3.5
149.13278	3.2
151.11230	2.8
155.08513	2.0
157.10114	4.5
159.08018	8.1
159.11726	4.9
161.09605	4.0
163.11157	6.9
171.11630	3.0
173.09528	2.5
173.13246	4.1
175.11122	1.9
177.09016	2.9
183.11681	4.1
187.11189	2.3
207.13638	2.9
238.98520	2.1
239.17990	4.3
247.20639	2.8
255.15776	2.7
257.13782	3.7
257.18973	12.4
275.20010	100.0
293.21066	83.5
345.70081	2.4
383.21964	4.1
401.23105	10.1
419.24222	8.0
437.25119	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	472.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01851	8.3
55.05509	17.7
57.03429	3.3
57.07061	2.6
67.05495	33.1
68.58974	1.9
69.03403	2.9
69.07054	23.5
71.04980	2.2
78.86159	1.8
79.05477	28.8
81.03406	18.7
81.07041	34.0
83.04967	11.5
83.08604	3.3
83.42258	1.7
84.29369	1.8
85.02885	9.1
85.06525	1.8
91.05463	24.4
93.07027	38.3
95.04953	12.4
95.08587	31.5
97.02857	4.4
97.06495	4.8
97.10155	2.3
104.99783	2.2
105.07014	39.8
107.04945	7.5
107.08578	20.4
109.02873	7.3
109.06519	13.7
109.10134	16.7
117.07001	11.4
119.08572	29.7
121.06487	12.5
121.10110	12.4
123.08030	4.3
123.11627	2.1
127.03922	14.7
129.06976	2.8
131.08551	21.7
133.06439	2.2
133.10112	23.7
135.08037	4.4
135.11710	4.6
137.09601	3.9
142.07745	1.8
145.10095	16.7
147.08018	3.0
147.11717	16.0
149.09618	8.2
149.13316	1.9
151.11159	7.3
157.10135	4.0
159.08008	8.5
159.11674	12.7
161.09622	2.3
161.13217	2.2
163.11131	8.6
163.14879	2.2
173.09592	4.1
173.13232	3.6
175.11201	2.3
177.12724	4.3
183.11778	2.9
185.13284	2.6
191.14238	4.8
197.13159	2.2
209.71532	2.2
215.18045	2.5
219.13771	3.9
247.20416	2.2
248.63765	2.2
257.19019	11.6
275.20010	100.0
293.21066	75.0
293.24225	3.8
365.20712	2.3
383.21906	3.0
401.23108	10.7
419.24185	7.5
437.25165	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	471.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51601	2.4
55.05508	33.7
57.07056	10.8
65.42313	2.3
67.05496	80.1
69.07057	44.4
79.05473	26.7
79.66910	3.5
81.07040	100.0
83.08607	36.8
85.65560	2.5
91.05476	5.4
93.07021	33.6
95.08582	98.8
97.06491	5.0
97.10137	15.0
105.06959	3.9
107.08594	22.0
109.10148	55.3
111.11702	10.0
119.08601	3.1
121.10144	18.4
123.11669	18.2
135.11725	18.9
137.13219	2.9
149.13217	4.0
151.14845	3.9
189.68916	2.7
258.94229	2.8
263.81378	3.0
288.28214	2.5
298.97748	3.3
399.40012	19.6
417.40857	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35201	0.3
54.81463	0.3
55.01860	0.3
56.05024	0.5
57.03422	0.6
67.05465	0.4
69.03416	0.6
69.07052	4.0
70.02932	0.5
70.06566	1.7
72.08138	13.8
76.03968	1.9
81.03428	0.4
83.06056	0.4
84.04498	6.0
85.02887	1.8
85.04013	0.9
86.09676	2.0
88.03977	0.6
88.79993	0.4
92.01646	0.4
92.08659	0.4
96.08101	0.7
97.06503	1.4
97.61053	0.3
99.05534	0.5
99.08050	0.3
102.79499	0.3
107.04929	0.5
113.01727	0.4
119.04923	0.4
121.06470	0.8
122.09676	0.4
124.07583	0.3
126.03698	0.8
129.09109	1.4
130.04982	2.4
131.04518	0.7
134.09637	0.5
137.05925	1.7
139.03198	0.5
145.06085	0.4
147.04388	0.9
148.10170	0.4
148.11194	14.4
149.10728	45.4
150.12755	1.5
152.05292	3.9
153.06563	0.5
159.02184	1.9
163.12317	0.5
164.13065	100.0
165.13774	2.5
167.15359	3.5
177.03334	2.6
180.04774	2.7
180.08359	6.3
181.06081	0.4
182.09918	0.7
185.03786	11.7
197.11055	42.1
199.12639	0.7
206.09959	1.4
215.89964	0.4
223.12599	1.8
231.04324	23.1
234.09688	0.3
244.13185	0.8
250.08598	0.4
251.12025	0.6
255.07922	3.5
262.14413	0.5
288.06387	7.2
292.15219	0.5
343.17917	23.3
435.54547	0.4
454.21170	6.7
472.22214	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	471.2199
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.20478	0.3
59.01744	0.3
61.09927	0.3
70.54816	0.3
71.34684	0.3
81.07048	0.4
83.78053	0.3
85.02897	0.4
86.11414	0.3
89.51754	0.3
92.42417	0.3
135.60503	0.3
138.10062	0.4
153.01759	0.4
205.08391	0.3
215.06990	0.5
254.50188	0.4
267.06470	1.3
309.07391	0.5
309.16730	3.5
335.05554	1.3
471.10770	6.3
471.21933	100.0
472.22067	0.7
495.90747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2353
Annotation	acetyl-andilesin A
Peak:m/z	Relative Intensity
54.43832	0.9
55.70971	1.0
57.03415	2.1
59.54613	1.1
67.05489	2.8
69.07050	1.2
79.05502	3.7
80.38694	1.1
81.07018	4.5
91.05434	2.1
93.07008	4.9
95.08572	2.2
104.33511	1.2
107.08571	2.0
129.59172	1.0
186.70996	1.2
187.03667	2.4
278.50363	1.2
307.18793	11.1
435.27133	1.4
436.27707	1.4
471.23419	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	471.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02089	0.4
55.05519	0.5
57.03419	5.1
60.54010	0.5
61.02890	0.6
61.84265	0.5
63.32088	0.5
65.65263	0.5
67.05482	1.3
69.03417	0.9
70.06577	2.7
71.04989	0.8
71.39267	0.5
71.39658	0.5
72.08124	4.6
76.55882	0.5
79.05476	2.5
81.03419	1.0
81.07035	1.3
83.05002	0.6
83.08630	0.8
85.02898	2.7
85.06548	3.8
86.09713	1.0
87.04451	0.5
91.05477	1.4
92.09319	2.3
92.56599	0.5
93.07023	3.9
95.08587	12.9
96.08934	3.5
97.02838	1.0
98.97594	2.7
103.03928	6.8
104.04277	0.7
105.07014	0.9
107.08595	2.4
116.98593	0.9
119.04958	0.6
119.08591	1.2
121.10132	3.7
122.10451	0.5
123.08069	0.6
127.03885	1.1
131.08560	0.9
133.10085	0.9
134.99710	0.8
137.05983	2.9
145.02861	0.9
147.04398	4.5
149.09627	5.6
150.09921	1.4
150.61024	0.6
158.99689	0.7
159.10127	2.5
167.10585	0.7
177.00774	0.7
177.05443	0.7
204.10202	1.1
215.12704	4.1
216.13145	3.0
241.14348	5.0
242.14612	4.0
247.13007	100.0
259.14365	0.8
271.91272	0.5
291.19388	0.8
471.17203	1.0
471.22903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1813
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
53.03938	0.9
55.05499	6.0
56.26942	0.8
56.64014	0.9
56.96556	15.1
57.03429	17.7
57.07045	1.2
58.03761	1.0
67.05492	13.6
69.07064	5.2
71.01328	1.4
71.04964	1.3
71.95242	1.4
79.05483	16.3
80.05818	1.1
81.07040	16.7
83.04971	1.9
83.08617	8.9
83.95052	0.9
91.05441	6.6
93.07031	24.0
94.07367	1.1
95.04954	1.6
95.08598	9.4
97.06514	2.1
97.10159	1.0
98.72214	0.9
101.61977	0.9
102.92584	1.5
105.07013	3.8
107.04972	1.4
107.08590	8.8
109.10160	1.4
111.08044	1.2
121.10118	14.0
122.10484	1.3
128.98543	2.1
131.08597	1.3
133.10133	1.1
135.04378	1.3
136.93077	12.3
136.93976	1.7
139.11212	1.1
140.04190	0.9
146.99655	1.9
149.13274	4.0
154.94150	38.6
159.11694	1.7
167.10690	1.4
172.95216	100.0
176.82077	0.9
178.49377	1.0
189.04338	1.2
190.96271	67.8
195.13844	1.2
195.96786	2.1
208.97310	1.4
210.96793	12.5
212.98206	1.1
213.97771	1.5
217.07593	1.0
228.97833	33.7
230.99432	1.5
241.14372	9.6
242.14651	3.8
246.98892	6.0
247.05803	1.1
269.17380	6.1
270.17847	3.8
279.12610	1.7
297.13849	1.4
317.17822	40.3
333.17480	1.9
335.18866	29.5
397.14557	2.2
425.87607	1.2
435.27380	9.3
436.27585	10.8
453.17056	26.1
471.18106	65.9
494.19653	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65121	1.7
55.05510	18.9
56.96566	2.9
57.03428	65.1
57.18802	2.1
66.41433	1.8
67.05497	55.3
67.37268	1.8
69.06730	2.1
69.07041	20.8
71.01340	4.3
71.04994	7.2
72.27324	2.2
79.05474	63.8
80.95826	2.2
81.03390	2.6
81.07040	61.3
83.04948	11.3
83.08607	36.7
85.06538	3.3
91.05465	21.2
93.07027	94.1
95.04900	2.8
95.08581	28.9
97.06499	11.3
97.10153	3.0
105.07020	11.4
107.08589	30.6
109.10140	3.9
117.07008	3.1
119.08582	3.2
121.10133	52.4
131.08545	12.7
133.10130	4.2
135.11649	8.5
136.93079	4.1
139.11179	13.6
149.09595	3.8
149.13289	20.1
154.94162	15.0
159.11679	4.9
167.10629	8.8
172.95204	40.6
190.96263	24.1
195.13788	8.8
210.96761	2.6
228.97774	8.8
241.14281	50.0
257.33011	2.3
260.87741	2.4
269.17438	33.3
279.92624	2.6
317.17944	16.1
335.18790	9.0
435.27307	100.0
453.16962	3.5
471.18185	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	470.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.0
57.07061	14.9
59.05005	4.1
66.44099	3.8
67.05505	32.6
69.07062	36.3
71.04975	18.7
71.08636	6.0
72.04504	3.4
73.06535	5.2
77.12971	3.4
79.05475	27.9
79.80380	3.0
81.07040	100.0
83.08603	42.4
91.05465	22.7
92.08606	4.0
93.07030	15.1
95.08595	91.1
97.06525	5.0
97.10149	25.5
105.07032	28.4
107.08591	37.2
109.10154	16.0
119.08554	5.9
121.10136	21.5
133.10118	13.8
134.85809	3.4
135.11713	8.6
137.13219	43.7
147.11697	31.0
155.14413	4.0
161.13182	6.3
165.12679	4.6
172.74641	3.4
201.14824	85.0
217.19554	15.1
235.20560	15.8
253.21631	14.0
271.22662	7.2
435.34473	13.9
453.35803	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	471.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15782	0.4
54.20140	0.3
62.24232	0.3
62.86831	0.4
92.61949	0.4
149.78470	0.4
164.34926	0.4
169.01060	0.7
229.03143	15.4
247.04185	100.0
336.90677	0.5
441.23694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48309	0.5
55.05491	0.6
58.72612	0.4
64.32725	0.7
68.99780	0.8
69.03420	0.7
85.02889	3.0
91.05488	1.1
93.07047	1.1
95.08574	1.1
107.04937	0.6
107.08586	0.7
121.02850	7.5
131.04929	1.0
137.05975	1.0
137.09601	0.8
141.07054	0.6
143.04974	0.6
145.02847	2.5
147.04404	1.2
153.01836	0.9
156.52510	0.7
163.03975	0.8
187.07579	2.7
211.07422	0.8
215.07004	11.6
225.13695	0.6
227.07002	0.9
239.07002	9.4
240.07787	1.0
243.06526	5.2
251.06920	5.8
253.08508	4.3
263.06802	1.0
264.07941	0.8
265.08643	0.9
267.06476	24.1
269.04535	2.6
278.54608	0.6
279.06430	8.8
281.08047	0.9
291.06528	2.8
307.06201	0.9
309.07562	26.9
309.16840	2.4
309.34644	0.6
311.05685	1.2
335.05469	16.2
343.09586	0.7
345.07642	3.8
347.05133	0.7
351.08652	1.1
353.06451	4.3
387.08633	4.0
395.86957	0.6
429.09583	5.0
453.09323	0.7
471.10776	100.0
471.21735	72.6
472.10901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41981	1.0
53.03942	1.2
55.01859	1.0
55.05507	2.1
56.96576	1.2
57.03431	14.7
58.76153	0.9
60.35465	1.1
61.02907	1.8
67.05502	11.8
69.03409	2.9
69.07032	1.3
70.06593	2.0
71.04978	2.8
72.08147	2.7
79.05482	11.1
81.03391	2.9
81.07044	6.1
83.04987	2.2
84.58264	1.4
85.02878	9.9
86.06013	1.2
86.09700	5.7
91.05460	20.2
92.09249	1.7
93.07033	10.8
94.04218	1.3
95.04970	2.9
95.08587	29.9
97.02881	1.9
97.06490	2.0
99.04457	1.2
103.03931	14.6
103.05446	12.8
104.88302	1.1
105.07009	9.0
107.04951	23.5
107.08590	5.1
109.06498	2.0
109.10141	7.1
111.04401	2.0
115.05412	2.4
117.07048	2.3
119.04932	12.0
119.08566	5.8
121.06519	10.7
121.10098	10.2
122.03595	1.4
123.08077	2.0
124.05196	1.7
124.99986	1.9
125.05953	2.8
126.09125	2.3
127.03875	1.9
127.86632	1.2
129.06981	7.6
130.04141	2.3
131.04892	16.2
131.08536	7.3
133.02806	5.2
133.06506	1.5
135.04375	2.7
135.08000	9.1
135.11647	2.1
137.05960	52.5
141.00610	1.2
141.08977	1.6
145.02858	1.9
145.06487	1.4
145.10088	2.3
145.12254	2.3
146.07262	2.4
147.04402	18.1
148.05165	10.7
149.05968	17.9
149.09598	16.8
150.06770	11.5
151.03835	1.4
151.07520	18.5
157.06459	1.6
159.08038	1.2
159.10107	2.8
161.05952	100.0
161.09599	28.4
162.06728	20.8
163.07527	30.1
167.10716	2.5
167.56291	1.1
174.06734	2.7
175.07558	7.8
177.05437	2.7
177.09091	6.1
179.06995	2.3
181.08565	7.2
184.07306	7.9
189.09077	58.7
191.07033	1.6
195.08099	2.2
207.10120	63.2
215.12708	11.6
219.10138	2.2
221.05992	1.2
221.09579	1.4
223.13347	2.4
225.09024	1.6
227.10649	5.1
236.10326	4.6
237.11171	6.5
241.14319	17.7
253.08456	3.8
253.12326	2.8
255.10136	2.4
255.15939	1.4
255.44051	1.3
273.16931	2.7
285.11108	4.2
287.12759	7.4
313.14362	8.8
330.14517	2.9
331.15491	12.3
342.14505	6.1
381.94196	1.1
405.18994	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	470.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
54.58988	0.2
55.05493	0.2
57.03428	0.3
60.04512	1.9
60.71978	0.3
61.02909	0.4
69.03414	0.7
70.06562	0.3
71.04967	0.3
76.56127	0.2
78.94835	0.2
79.05484	1.3
81.03387	0.6
81.07056	0.5
83.04947	0.3
85.02895	3.2
91.05444	0.6
93.06981	0.4
94.04173	1.3
95.04922	1.0
95.08577	0.4
96.89912	0.3
98.79823	0.3
99.04410	0.3
99.90015	0.3
105.07011	0.6
107.04940	70.3
108.05267	0.3
117.03415	0.3
119.04926	0.7
120.04408	0.4
120.08117	0.5
121.02839	0.3
122.03620	4.9
127.03871	1.4
130.06476	2.2
131.04906	1.2
133.06482	3.2
137.05952	100.0
145.02777	0.4
147.04384	0.5
149.05925	0.4
151.07507	1.8
153.33618	0.3
165.06967	0.6
172.07523	0.5
177.05367	0.6
183.08049	1.8
195.08044	1.2
211.07500	1.5
223.07454	1.6
243.10098	1.1
255.10020	1.6
273.11148	0.5
291.09656	1.1
291.24377	0.3
308.20551	1.3
329.36023	0.3
411.03421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41981	1.0
53.03942	1.2
55.01859	1.0
55.05507	2.1
56.96576	1.2
57.03431	14.7
58.76153	0.9
60.35465	1.1
61.02907	1.8
67.05502	11.8
69.03409	2.9
69.07032	1.3
70.06593	2.0
71.04978	2.8
72.08147	2.7
79.05482	11.1
81.03391	2.9
81.07044	6.1
83.04987	2.2
84.58264	1.4
85.02878	9.9
86.06013	1.2
86.09700	5.7
91.05460	20.2
92.09249	1.7
93.07033	10.8
94.04218	1.3
95.04970	2.9
95.08587	29.9
97.02881	1.9
97.06490	2.0
99.04457	1.2
103.03931	14.6
103.05446	12.8
104.88302	1.1
105.07009	9.0
107.04951	23.5
107.08590	5.1
109.06498	2.0
109.10141	7.1
111.04401	2.0
115.05412	2.4
117.07048	2.3
119.04932	12.0
119.08566	5.8
121.06519	10.7
121.10098	10.2
122.03595	1.4
123.08077	2.0
124.05196	1.7
124.99986	1.9
125.05953	2.8
126.09125	2.3
127.03875	1.9
127.86632	1.2
129.06981	7.6
130.04141	2.3
131.04892	16.2
131.08536	7.3
133.02806	5.2
133.06506	1.5
135.04375	2.7
135.08000	9.1
135.11647	2.1
137.05960	52.5
141.00610	1.2
141.08977	1.6
145.02858	1.9
145.06487	1.4
145.10088	2.3
145.12254	2.3
146.07262	2.4
147.04402	18.1
148.05165	10.7
149.05968	17.9
149.09598	16.8
150.06770	11.5
151.03835	1.4
151.07520	18.5
157.06459	1.6
159.08038	1.2
159.10107	2.8
161.05952	100.0
161.09599	28.4
162.06728	20.8
163.07527	30.1
167.10716	2.5
167.56291	1.1
174.06734	2.7
175.07558	7.8
177.05437	2.7
177.09091	6.1
179.06995	2.3
181.08565	7.2
184.07306	7.9
189.09077	58.7
191.07033	1.6
195.08099	2.2
207.10120	63.2
215.12708	11.6
219.10138	2.2
221.05992	1.2
221.09579	1.4
223.13347	2.4
225.09024	1.6
227.10649	5.1
236.10326	4.6
237.11171	6.5
241.14319	17.7
253.08456	3.8
253.12326	2.8
255.10136	2.4
255.15939	1.4
255.44051	1.3
273.16931	2.7
285.11108	4.2
287.12759	7.4
313.14362	8.8
330.14517	2.9
331.15491	12.3
342.14505	6.1
381.94196	1.1
405.18994	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	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01870	5.8
55.05502	8.7
57.03427	24.0
57.07064	1.2
59.04989	1.5
61.02912	6.3
65.03952	1.4
67.05494	25.1
69.03415	39.2
69.03762	2.3
69.07054	7.3
70.06567	2.6
71.04974	36.6
73.02902	2.7
79.05469	10.5
81.03395	23.4
81.07034	15.4
83.04961	5.5
83.08609	2.2
85.02890	100.0
85.06522	3.3
86.09692	2.3
87.04469	1.4
91.05453	10.3
93.07024	17.3
95.04943	2.9
95.08585	26.7
97.02873	27.8
97.06483	2.3
99.04438	35.3
103.03922	53.9
103.05438	1.7
105.06990	18.6
107.04946	2.6
107.08588	14.0
109.02874	17.5
109.06494	17.4
109.10139	24.4
110.07140	1.4
111.04464	2.8
117.07042	6.2
119.08540	18.0
121.06483	6.9
121.10123	30.8
122.03654	2.4
123.04376	2.0
123.08041	12.3
123.11696	2.8
124.07553	2.0
125.05957	1.4
127.03893	64.9
127.11176	46.5
129.05447	1.7
129.07013	2.6
131.08562	9.3
133.06494	3.5
133.10106	9.8
135.08029	8.4
135.11676	6.3
137.05962	34.7
137.09599	3.1
138.06325	1.8
141.07042	1.9
142.07793	1.8
143.08557	7.5
144.09268	2.0
145.04950	21.0
145.06416	2.0
145.10094	16.1
145.12183	3.3
146.07259	2.3
147.04427	2.2
147.08070	8.3
147.11646	5.4
148.08679	1.7
149.06004	3.3
149.09537	5.0
151.07529	5.6
154.07762	2.0
155.07050	1.9
155.08525	2.8
156.09338	2.3
157.10112	10.6
159.08092	10.2
159.11693	9.1
160.08827	3.3
161.09593	9.5
163.06003	14.9
163.07327	2.3
163.13278	7.3
167.07048	3.3
167.08374	1.7
168.09201	2.0
169.10094	11.1
171.08032	6.4
171.11674	5.5
172.08600	4.1
173.09610	7.8
173.13275	6.2
175.07484	2.1
175.11205	1.6
175.14679	1.4
177.08954	2.3
181.10106	2.4
183.11729	6.5
185.09560	2.4
185.13153	1.9
187.11118	12.8
187.14740	2.3
191.10664	2.4
195.11775	2.0
197.09592	11.6
197.13229	2.3
200.09189	1.6
203.14337	5.4
205.07060	1.9
211.11195	5.5
211.14882	2.1
212.11902	2.1
213.12772	2.7
215.10641	30.4
215.14145	1.6
225.12662	3.1
225.16344	2.5
227.14291	6.8
229.15817	2.7
233.11615	3.4
235.14612	1.5
243.17325	2.7
246.04800	1.4
253.15909	14.4
271.16919	22.1
289.09229	1.6
289.17923	21.4
307.10361	2.3
307.18942	7.1
331.17526	6.2
370.84897	1.3
415.19431	5.6
469.20609	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	469.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01855	18.6
55.05508	55.7
57.03415	4.9
59.28703	3.6
62.51015	3.7
67.05499	37.0
69.03416	7.9
69.07041	6.8
79.05473	36.9
81.03387	18.7
81.07043	31.1
83.01337	4.0
83.04958	8.2
83.08606	20.0
91.05450	35.1
93.07017	31.1
95.01301	24.7
95.04929	21.2
95.08565	24.3
97.02858	5.0
97.06530	6.5
105.03361	7.3
105.07014	30.9
107.08562	15.7
109.02902	6.4
109.06538	4.1
109.10139	15.5
117.07011	9.7
119.08557	23.3
121.10110	16.6
123.04420	6.8
125.02360	6.4
127.11189	5.0
129.06972	17.5
131.08554	21.0
133.06554	6.1
133.10077	18.2
135.04375	4.6
137.05963	5.7
137.87354	3.9
139.03891	5.5
143.08649	6.9
145.06464	8.7
145.10103	18.8
147.04381	5.2
147.08018	6.4
147.11681	6.1
151.03912	4.8
157.06529	4.5
161.05920	6.5
161.09601	6.3
165.12595	12.8
169.10107	6.6
171.07988	6.1
171.11581	4.8
173.06041	5.2
177.01740	5.8
179.35628	5.1
187.11133	15.8
197.09610	6.8
201.09015	4.3
203.10406	4.4
215.10698	9.0
217.12418	4.5
225.09117	5.4
243.10109	27.3
261.11069	16.3
271.09613	6.0
275.20068	4.9
289.10629	18.4
307.11652	22.3
324.71448	5.1
325.12778	100.0
339.00174	5.7
341.07974	4.6
397.20081	4.5
428.09366	4.6
433.22113	23.7
451.23288	41.4
452.16641	6.6
469.24579	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	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01865	12.7
55.05507	32.5
57.03432	4.0
57.94007	1.7
65.03931	1.6
67.05495	42.2
69.03434	3.4
69.07064	19.3
71.04982	3.9
71.06918	1.7
79.05480	49.3
81.03407	12.3
81.07044	100.0
83.04965	12.5
83.08614	19.5
84.90590	1.6
85.02898	8.2
90.42059	1.9
91.05468	47.3
93.07030	38.7
95.01293	22.6
95.04968	17.8
95.08599	26.8
97.02876	1.8
97.06513	11.0
97.10175	2.2
99.08071	3.2
99.62039	1.6
105.07024	46.3
107.04926	13.5
107.08594	17.3
109.06496	22.5
109.10150	8.7
111.08092	3.1
115.05493	2.3
117.07004	13.7
119.08560	32.7
121.06499	8.6
121.10103	13.8
123.04404	2.5
123.08057	11.0
123.11713	7.3
125.09642	1.7
128.00230	2.0
128.04306	1.7
128.06248	3.2
129.06979	7.0
131.08582	20.4
133.10086	21.2
135.08058	4.3
135.11700	7.1
137.05968	2.3
137.09650	2.4
141.01860	9.8
143.08582	3.8
145.10139	18.1
147.08070	1.9
147.11679	20.8
149.05972	2.9
149.09665	8.1
151.11172	2.1
155.08601	2.8
157.10109	4.4
159.11703	9.2
161.05876	1.7
161.09554	2.1
161.13214	3.5
163.11157	4.0
165.12744	13.6
169.10101	2.0
171.11713	2.7
173.13385	3.1
175.11180	3.4
193.12292	2.5
201.12769	2.4
214.99606	2.2
218.08266	1.8
239.17886	2.0
251.98314	1.8
257.19073	4.1
275.20053	37.8
310.76340	1.9
433.22153	39.0
451.23108	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	468.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12067	1.3
55.05509	14.5
56.63274	1.3
57.03416	1.4
57.07062	7.6
63.13946	1.6
67.05492	30.1
69.07058	16.6
71.04990	7.9
71.08601	1.5
79.05476	7.2
81.07040	41.6
83.08611	12.2
89.06005	16.6
91.05460	1.9
93.07018	10.3
95.07546	1.5
95.08578	35.8
97.10144	6.9
107.08578	10.7
109.10153	19.1
111.11707	2.1
119.08512	1.8
121.10127	7.5
123.11687	9.7
133.08614	3.8
135.11664	8.3
135.31372	1.5
137.13216	2.1
149.13260	3.0
156.08105	2.4
157.47771	1.6
177.11241	1.9
184.07556	6.2
242.11365	1.6
263.75778	1.8
283.17459	11.5
451.41403	100.0
468.34842	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01866	11.6
55.05503	31.8
57.03422	8.7
57.07052	3.1
65.03928	3.1
67.05497	38.5
69.03425	2.8
69.07059	17.0
71.04988	2.9
79.05484	38.9
81.03426	3.5
81.07043	100.0
83.04972	8.5
83.08603	13.2
85.02881	4.3
91.05463	38.6
93.07039	28.3
95.01291	17.5
95.04948	14.9
95.08596	22.3
97.02872	2.2
97.06505	9.5
99.08060	2.5
105.07032	26.6
107.04926	11.8
107.08565	20.2
109.06509	30.3
109.10109	2.7
111.08060	3.6
115.05445	2.3
117.06983	13.8
119.08562	28.2
121.06472	3.8
121.10156	16.5
123.08003	8.4
123.11706	4.6
131.08528	11.4
133.10117	17.5
135.08057	3.7
135.11627	4.1
136.74573	2.7
137.09616	3.2
141.01810	8.2
145.10077	14.6
147.11685	10.8
149.09584	8.0
149.13249	3.9
157.10065	2.7
159.11664	4.1
163.11163	3.5
165.12709	4.3
167.43369	2.3
175.11127	2.8
190.96242	2.5
193.12164	2.8
257.19025	3.0
275.20062	45.4
371.14038	2.1
372.01648	2.2
433.22318	20.3
451.23001	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	468.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05038	0.2
56.22975	0.2
57.03424	0.5
60.07863	0.4
60.08153	8.6
61.00866	0.2
67.05484	0.7
67.63320	0.2
71.07355	3.1
72.05869	0.2
75.54169	0.2
79.05476	0.4
81.03398	0.9
81.07028	0.9
83.04971	0.2
83.08629	0.2
85.02897	1.6
86.09689	43.6
91.05467	0.8
93.07014	0.2
94.73185	0.2
95.04953	0.8
95.08565	0.3
98.98446	3.3
99.04414	0.2
103.03951	0.4
104.05704	0.2
104.10718	4.0
105.07015	0.4
107.08611	0.2
109.10162	0.2
119.76163	0.2
122.74841	0.2
124.99978	33.4
127.03885	0.7
137.05949	0.4
143.01059	0.3
184.07303	100.0
286.11908	0.3
292.21600	0.2
328.12802	0.5
329.13126	0.9
417.93204	0.2
450.22131	0.9
468.16757	0.3
468.23459	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05508	1.7
56.05027	0.3
57.03425	1.4
58.06597	0.3
60.07496	0.2
60.07859	0.4
60.08157	8.8
61.02917	0.6
67.05496	3.7
68.28709	0.2
69.03424	0.5
69.07055	1.5
70.06590	0.4
71.04979	0.6
71.07362	3.7
73.02901	0.2
79.05488	1.7
79.30447	0.2
81.03413	0.3
81.07044	4.0
83.04966	1.2
83.08607	1.5
84.08138	0.3
85.02890	1.1
85.06530	0.3
86.09694	45.8
91.05472	3.5
93.07037	2.1
95.04950	0.5
95.08593	0.5
97.02868	0.4
97.06500	0.4
98.98434	2.9
99.04443	0.5
100.11248	2.7
103.03912	0.5
104.10723	3.8
105.07014	3.3
107.04917	0.3
107.08575	3.2
109.06495	0.4
109.10149	6.4
113.06035	0.3
119.08546	0.9
121.10139	0.5
123.08023	0.2
123.11669	1.0
124.99987	34.5
127.03912	0.4
127.07550	0.3
133.10117	7.7
137.05945	0.9
143.01022	0.5
147.11653	1.2
151.11140	4.1
169.12216	0.3
179.94321	0.2
182.15410	0.8
184.07315	100.0
185.07820	0.3
210.14909	0.4
253.14290	9.2
271.15366	9.4
287.89728	0.3
301.42984	0.2
420.47375	0.2
450.22452	0.5
453.33823	0.3
467.35861	0.6
468.23532	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	468.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59306	0.4
53.01373	0.4
53.03941	1.1
54.04367	0.4
54.96588	0.4
55.01869	0.4
55.05515	0.5
56.96555	0.5
57.03433	1.0
59.91328	0.4
61.02909	3.2
62.86693	0.4
67.05489	1.0
67.44879	0.4
69.03410	5.6
69.07056	0.7
70.06567	0.7
71.04971	2.2
72.08108	0.9
73.02908	0.6
79.05468	1.0
81.03407	4.7
81.07066	0.8
85.02895	24.0
87.04512	0.5
91.03924	0.7
91.05466	8.7
93.07029	0.7
94.04203	0.7
95.04964	0.7
95.08580	0.6
97.02867	8.1
99.04438	6.9
100.71109	0.5
103.03931	11.6
103.05430	3.2
105.07001	0.5
107.04946	1.0
109.02877	3.7
109.10133	0.9
115.05448	0.8
117.07027	1.0
119.08522	1.0
121.06492	29.7
121.10095	0.5
122.03645	3.4
127.03897	11.6
130.95816	0.4
131.04912	6.0
133.10205	0.7
135.08017	0.6
137.05960	100.0
143.64949	0.5
145.04947	5.6
145.06038	0.5
145.12198	0.8
147.04424	0.7
147.08035	46.7
163.06006	3.7
163.07524	12.1
180.08675	0.6
187.06056	0.6
197.38101	0.5
201.16713	0.5
261.02124	0.5
271.13254	7.6
307.10233	1.1
464.30612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33015	0.3
55.01859	1.3
56.96558	0.3
57.03173	0.5
57.03428	7.9
61.02910	2.0
65.03883	0.3
65.83515	0.3
69.03419	3.5
72.08147	0.4
75.04467	3.2
75.80581	0.3
79.05465	2.3
79.11005	0.3
81.03388	1.4
85.02887	11.8
91.05454	11.6
94.04185	0.5
95.04935	0.4
97.02861	3.8
99.04417	0.4
103.05402	0.5
105.07035	0.4
107.04941	9.3
109.02854	1.6
109.06477	0.4
110.03671	0.4
119.04918	30.3
120.39288	0.3
121.06488	8.9
122.03613	2.6
123.04404	2.6
125.05967	1.9
127.03885	1.6
130.47797	0.4
131.04893	1.6
135.04404	13.9
135.57518	0.4
136.05199	0.5
137.05956	100.0
138.06311	1.3
138.09079	0.5
139.03905	0.5
145.06479	1.4
147.04388	61.1
149.05957	9.4
151.07529	3.5
152.04665	21.5
163.03934	0.4
163.07507	2.4
164.04626	1.9
165.05424	5.2
166.06229	1.8
167.06996	19.6
174.06641	0.3
175.07506	6.6
177.05402	0.7
177.09096	2.1
179.06998	29.3
185.05730	0.4
186.06813	0.5
189.05330	0.4
189.09048	1.7
191.07022	0.5
193.08556	0.7
195.06508	0.4
195.60905	0.4
197.08083	6.7
197.92365	0.3
203.76494	0.3
205.08652	0.7
217.08582	0.4
223.09621	1.4
235.09651	2.8
237.02847	0.3
241.10655	36.1
253.10611	1.7
255.12256	0.5
271.11694	11.5
414.18460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57547	3.2
54.81863	4.1
55.05491	16.8
57.03428	29.4
57.07072	68.9
67.05482	25.2
69.07048	17.1
71.08616	44.5
71.23183	4.6
79.05457	5.9
81.07056	37.4
83.08604	16.3
85.10136	16.4
91.05450	3.8
93.07063	5.2
95.08577	45.3
97.10159	4.1
98.97868	5.0
98.98459	92.9
107.08546	4.6
109.10138	19.0
112.99981	28.4
135.04752	4.5
155.01012	59.7
169.02602	8.2
180.16292	3.7
184.45349	4.6
194.07507	3.9
293.60898	5.5
313.27338	100.0
338.27646	8.8
378.97208	4.1
449.26569	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	467.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	3.1
55.05502	10.1
56.63551	1.1
57.03428	18.9
57.07068	55.2
67.05495	20.9
69.07067	11.9
71.08614	34.7
79.05462	2.3
81.07045	26.2
83.08606	14.1
85.10164	15.8
92.09263	2.9
93.07021	3.0
95.08583	25.9
96.08908	1.6
97.10150	6.3
98.98448	80.3
107.08604	1.5
109.10134	14.3
110.99526	1.2
111.94304	1.4
113.00003	7.0
116.99463	2.9
123.11651	3.1
136.99968	5.0
155.01013	57.4
169.02539	1.7
190.99902	1.4
211.03693	1.4
239.23700	2.6
245.79501	1.3
313.27301	100.0
337.27399	3.0
338.27591	8.6
404.16037	1.4
449.26505	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	467.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41544	1.6
53.03940	2.5
55.01858	9.8
55.05505	39.0
57.03226	1.5
57.03432	27.3
57.07067	31.3
60.91148	1.6
62.93741	1.4
64.33521	1.8
67.05144	2.9
67.05492	67.4
69.03416	2.4
69.07051	35.8
71.04975	9.8
71.08614	3.9
72.81752	1.6
79.05476	42.5
81.03394	21.3
81.07037	79.0
83.04975	16.7
83.08609	17.3
85.02882	7.3
85.06540	3.1
85.10167	52.8
86.85403	1.5
91.05463	40.6
93.07017	57.1
95.04967	27.6
95.08583	41.5
97.06493	11.0
97.10142	10.5
98.98450	62.2
98.99041	2.1
99.08082	2.8
105.07001	32.8
107.04945	18.6
107.08582	35.1
109.06523	13.1
109.10139	42.8
111.08065	3.1
113.09627	36.2
117.06987	3.7
117.31445	1.8
119.08550	19.3
120.82023	1.9
121.06481	3.3
121.10136	18.0
123.08051	8.6
123.11683	3.2
125.09591	8.0
129.06975	7.0
131.08543	12.0
133.10100	25.6
135.11661	10.1
137.05891	2.2
137.09586	2.3
147.04372	2.9
147.11641	14.0
149.09587	16.3
149.13261	8.7
151.11136	10.5
155.00990	3.4
157.10083	3.6
159.11617	2.1
161.13242	3.5
163.11134	7.9
165.12715	56.9
169.12213	4.2
173.02097	3.1
173.13356	1.8
176.44402	1.7
179.14304	7.6
231.21014	3.1
259.20523	7.0
268.99915	2.0
269.17365	32.5
277.21606	63.1
295.22623	100.0
315.16165	2.1
351.25259	66.6
358.68698	2.3
369.26285	79.6
431.21716	2.6
467.20566	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	466.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.8
53.03925	1.2
54.84943	0.9
55.05505	28.1
57.03178	1.3
57.03429	20.1
57.07064	5.3
57.97255	1.0
66.65461	1.1
67.05145	2.4
67.05492	58.1
69.06716	1.9
69.07056	34.2
71.05010	1.3
71.08604	1.6
79.05470	14.0
81.07037	55.6
83.08602	14.3
85.06548	1.5
91.05449	11.5
93.07034	15.9
95.04974	1.7
95.08585	45.4
97.06523	2.9
97.10149	7.9
98.98483	1.3
104.70473	1.2
105.07027	9.8
107.08577	6.3
109.10149	20.0
111.08015	1.8
112.99994	62.7
119.08579	9.5
121.10126	5.1
123.11684	6.4
133.10103	5.7
135.11658	2.1
137.13223	1.6
147.11687	2.5
160.34436	1.2
169.02573	28.4
187.03596	2.6
263.23618	2.9
282.92520	1.5
337.27304	100.0
338.27338	1.5
397.33762	1.2
466.38669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52302	0.4
55.01831	0.8
55.05497	4.1
57.07070	3.6
58.06577	0.4
64.33338	0.4
65.03914	0.8
67.05489	13.7
69.02450	0.4
69.07045	5.5
70.06574	7.7
71.08605	1.9
78.87679	0.4
79.05474	19.5
81.07040	15.1
83.04968	0.5
83.08601	8.8
85.06531	0.9
88.07611	7.7
91.05461	19.3
93.07021	27.4
95.04936	1.1
95.08583	11.9
97.06480	3.1
97.10139	1.1
99.08050	1.9
99.28109	0.5
102.09174	5.6
105.07016	5.5
105.41563	0.5
107.08573	22.4
109.06512	1.0
109.10129	6.3
111.08054	4.3
117.06980	3.2
118.62225	0.4
119.04916	29.5
119.08564	8.4
121.02834	2.4
121.06393	0.6
121.10119	35.6
123.04433	0.6
123.08013	3.9
123.11623	0.6
131.08565	5.9
133.10098	13.1
135.08014	3.0
135.11652	13.1
137.09592	10.8
139.03909	0.7
139.07507	0.7
139.11136	0.7
143.08525	0.8
145.10123	2.4
147.04387	100.0
147.11668	7.1
149.02324	30.6
149.03392	1.7
149.09598	5.2
149.13176	0.7
151.11163	6.1
153.09065	5.4
165.05455	5.0
167.10635	0.9
171.11615	2.1
174.74254	0.4
183.41710	0.4
185.13242	0.8
189.16367	0.8
193.04935	28.8
203.14290	0.6
203.17944	3.2
213.16341	8.9
221.18925	1.0
231.17410	7.8
237.07524	25.8
249.18436	86.8
256.26273	19.1
267.19492	23.7
271.22934	0.5
285.20535	8.4
300.28763	1.0
424.88254	0.6
466.31540	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	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01864	0.8
55.05507	6.6
57.03146	0.4
57.03426	10.4
57.07055	1.7
57.80898	0.3
61.02911	5.1
65.03925	0.4
67.05494	36.7
69.03403	2.0
69.06718	0.5
69.07059	12.0
71.04987	3.9
73.02883	1.9
79.05476	17.4
81.03384	1.5
81.07040	48.7
83.04961	4.5
83.08601	8.9
85.02892	4.9
85.06546	3.7
90.18807	0.3
91.03929	0.8
91.05461	8.7
92.08752	0.4
93.07025	37.8
95.04930	3.3
95.08588	12.1
97.02875	3.2
97.06511	7.9
97.10161	0.7
99.04398	0.4
99.08053	2.2
105.06990	2.7
107.04877	0.4
107.08582	19.4
109.06506	1.5
109.10132	2.5
111.08051	4.9
113.09550	0.7
114.36892	0.4
117.06997	5.1
119.08582	0.9
121.06490	0.5
121.10120	14.8
123.08061	0.5
123.11711	0.9
125.09618	0.7
127.03891	0.9
131.08537	6.4
133.09164	0.5
133.10114	5.3
135.08044	0.8
135.11673	6.3
136.87347	0.3
139.11151	0.6
145.04971	0.4
147.11624	0.6
149.13237	28.9
159.11662	13.4
177.12723	6.8
195.13786	7.3
201.13689	0.4
213.14876	0.7
269.17429	100.0
287.18320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	12.2
55.19743	1.9
56.85779	2.4
57.03418	6.1
57.07057	6.0
59.53164	1.9
65.03906	2.5
67.05486	22.1
69.07053	30.0
70.06567	14.9
74.13594	2.2
75.26169	2.3
79.05477	23.9
81.03384	4.8
81.07056	17.6
83.08590	4.0
91.05453	24.2
92.09417	6.0
93.06985	12.7
95.04924	3.4
95.08560	11.0
97.06498	9.8
103.05439	2.8
105.07018	17.2
107.04936	3.7
107.08557	11.3
109.10115	3.5
117.06995	13.8
119.08588	5.3
121.10144	3.9
129.06967	14.8
131.08543	15.4
132.10175	3.6
135.11668	3.2
141.06972	2.9
143.07016	10.6
143.08521	2.8
145.06476	11.5
149.02322	100.0
149.03369	5.4
155.08539	3.7
157.06396	2.6
157.10101	5.3
169.10100	3.4
171.11620	5.5
172.20944	2.4
193.04919	86.2
199.09659	5.1
204.69241	2.8
206.28999	2.6
215.14267	5.4
238.35716	2.8
300.28891	18.2
339.19250	3.3
349.16663	4.3
350.17099	10.5
388.37473	3.5
413.23270	23.7
431.24103	30.3
431.29861	16.2
449.25183	4.9
466.31641	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	466.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15198	0.7
54.82019	1.0
55.01854	3.5
55.05503	13.7
57.03420	1.9
57.07067	39.2
65.03928	8.2
67.05502	8.0
69.07057	6.1
71.04943	0.8
71.08603	5.4
78.83887	0.7
79.05464	5.9
80.05813	1.0
81.03411	3.2
81.07046	7.5
83.04964	92.1
83.08575	1.0
85.02847	0.9
91.05458	9.8
92.05791	1.1
93.06977	3.2
95.04941	1.8
95.08575	3.1
97.10146	1.2
98.98438	19.8
99.08054	2.0
99.56649	0.9
105.06982	4.9
107.04935	1.4
107.08556	3.3
109.10107	1.9
111.08073	1.0
117.07004	1.2
119.08568	1.2
121.06474	1.3
121.10168	1.4
129.06970	1.1
131.08540	1.7
133.10123	1.0
141.06953	5.1
143.08673	0.8
147.08009	1.2
147.11618	7.5
151.01556	14.6
151.11116	1.2
159.08023	2.0
163.01469	7.2
164.11371	0.8
169.07541	1.8
175.01524	14.3
181.02553	1.5
187.01515	1.5
227.04640	5.4
239.04628	1.5
243.34377	0.9
260.99286	1.8
265.73087	0.9
276.20413	1.7
293.21045	10.9
294.21408	14.2
337.02280	89.1
350.24142	1.0
367.24820	1.9
368.24982	6.5
393.08521	100.0
449.08749	1.6
449.14789	40.6
492.32260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41231	2.5
56.71650	2.8
57.03432	17.3
57.45738	2.7
61.02897	8.2
64.32921	4.2
65.00860	3.8
69.03417	33.8
75.04430	3.7
79.05492	5.1
81.03400	6.7
85.02887	40.0
87.04459	20.0
93.03351	4.1
96.32664	3.6
97.02885	26.9
97.86805	3.2
104.28674	4.0
107.04948	22.8
110.03667	19.3
111.04420	19.6
111.10308	3.2
115.03923	12.8
120.08075	5.1
121.06495	15.7
125.05963	76.3
127.03860	5.3
133.02844	5.0
133.04970	17.3
135.04390	23.3
137.02322	4.2
137.05939	7.6
149.05978	16.2
151.03893	60.9
153.05444	6.5
155.03400	4.5
156.52989	3.2
163.03886	7.1
165.05493	26.3
167.07025	7.2
177.05502	33.1
180.04115	6.1
195.06485	7.0
211.56474	3.2
213.07704	5.7
225.07472	5.3
251.08784	3.5
269.10287	5.0
287.11227	100.0
434.32034	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15249	1.3
50.20115	1.2
51.58275	1.5
51.89075	1.3
55.01861	8.2
55.05507	33.4
55.12243	1.3
55.94581	1.2
57.03431	15.4
57.07072	12.9
57.07297	1.3
65.17990	1.4
66.01234	1.4
67.05488	10.9
69.07050	36.9
71.08623	3.4
73.02905	2.9
75.82423	1.6
78.19719	1.5
79.05467	8.5
80.36151	1.7
81.07039	13.2
82.87166	1.5
83.08607	29.6
92.09403	3.1
93.07011	8.6
95.08563	11.4
97.06516	5.8
97.10161	19.2
98.98445	100.0
107.08556	3.4
111.11715	2.5
116.99458	2.2
121.10094	3.8
135.11740	1.9
136.99983	1.7
139.40474	1.7
155.01021	61.2
173.95656	1.5
219.21117	2.0
237.22099	6.3
249.21071	1.5
253.17961	1.5
311.25726	67.8
447.25043	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	465.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.2
51.02357	0.3
53.84667	0.1
54.45774	0.1
54.81386	0.2
55.05504	0.4
55.27055	0.1
57.07056	0.2
65.03926	0.2
66.04707	0.2
69.07040	0.9
72.46532	0.2
77.03908	0.4
81.07037	0.4
83.08582	0.3
89.02945	0.2
91.05459	3.3
93.06997	0.3
94.04182	0.3
95.08578	0.2
97.06504	0.2
105.03370	9.5
106.30183	0.2
111.52157	0.2
119.04912	4.1
119.06226	0.2
122.03628	2.0
131.81509	0.2
132.02010	0.7
133.02827	100.0
134.03145	0.2
135.04399	0.3
137.05945	0.9
147.04388	5.3
150.03093	4.5
151.03882	13.1
153.83109	0.2
160.01529	0.4
161.02307	64.2
165.05438	7.8
175.03877	3.6
178.02602	0.9
183.42189	0.2
193.04932	90.2
223.30650	0.2
423.30905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20902	0.7
54.81506	0.9
55.01869	8.7
55.05503	32.5
57.03428	14.2
57.07064	12.6
57.22879	0.7
59.96555	0.8
61.87596	0.7
67.05487	10.5
69.07053	33.7
71.08621	7.4
73.02903	4.8
79.05478	7.7
81.07036	13.4
83.08596	28.7
83.91683	0.9
85.10172	1.4
86.06319	0.9
91.05489	1.3
93.01900	0.8
93.07011	8.5
93.16795	0.8
95.08556	6.2
97.06520	3.7
97.10148	15.8
98.98443	100.0
101.36006	0.8
107.08611	2.1
109.10162	1.7
111.08026	0.9
111.11722	4.6
112.12032	0.8
112.38550	0.9
113.00046	1.7
116.99475	1.6
120.01936	0.9
121.10110	6.8
129.05458	1.7
135.10641	0.8
135.11670	5.7
136.99988	4.3
148.67279	0.9
155.01018	58.3
171.79692	0.9
219.21107	1.4
229.04681	1.2
237.21980	6.3
311.25745	71.5
312.25937	1.1
346.17075	1.0
447.24939	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	465.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01870	35.8
55.02079	4.0
55.05503	46.8
56.88385	3.5
57.03434	32.9
57.07063	5.5
59.16058	4.1
67.05492	100.0
67.15570	3.6
69.07050	31.6
71.04976	5.3
71.08601	7.1
79.05471	55.8
79.49424	3.6
80.19052	3.6
81.03396	23.9
81.07037	89.3
83.04954	21.3
83.08595	19.4
87.29864	3.4
91.05463	82.4
92.08702	4.8
92.32948	4.0
93.07018	62.4
93.55894	3.7
95.04948	24.2
95.08577	30.6
97.02829	4.2
97.06505	10.1
97.53938	4.0
98.98447	65.5
105.07029	71.9
107.04935	18.7
107.08569	44.2
109.06517	8.1
109.10146	51.5
117.06992	7.8
119.08560	19.2
121.06526	7.6
121.10147	8.2
123.04424	5.3
123.08060	5.4
123.11692	7.4
125.09587	19.1
129.07021	4.8
131.08540	17.2
133.10107	61.3
135.08002	6.7
135.11667	5.4
137.09569	6.7
143.08498	4.2
145.10091	4.9
147.11635	5.7
151.11186	33.2
159.11650	5.4
161.09427	5.2
163.11201	7.0
165.09172	4.7
177.12695	6.6
220.48822	4.3
247.20341	4.8
253.14333	31.7
267.15796	4.4
275.20044	31.3
293.20935	15.8
349.23749	15.7
367.24725	76.2
396.56784	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	465.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02551	0.7
53.00311	0.7
55.01863	1.7
55.05506	12.5
57.03430	14.2
57.07076	1.1
58.05414	0.7
59.23355	0.7
61.02914	4.9
66.03673	0.9
67.05494	30.0
69.03395	4.0
69.07050	15.7
71.04974	4.1
71.99435	0.8
73.02903	1.6
73.06487	0.8
79.05470	16.3
81.03394	2.2
81.07041	95.2
83.04983	7.9
83.08609	7.8
85.02892	4.6
85.06528	6.1
91.03928	1.3
91.05457	29.5
92.63511	0.9
93.07032	13.4
95.04962	3.7
95.08599	20.4
97.02851	1.4
97.06524	7.6
97.71886	0.8
98.68806	1.0
99.08057	4.6
101.05961	1.2
103.60301	0.8
105.07014	44.4
107.04933	1.4
107.08589	14.4
109.06507	8.5
109.10182	1.6
111.08105	1.3
119.08559	35.0
121.10123	27.8
122.60139	0.9
123.08050	5.7
123.11688	35.5
124.07538	1.0
127.07505	1.9
129.06993	2.1
131.08542	3.6
132.71683	0.9
133.10110	5.0
137.05966	5.5
137.13274	1.6
147.11671	87.0
157.10107	5.6
159.11693	1.0
163.07600	0.9
165.12720	32.6
170.03377	0.9
175.11174	3.3
183.13837	3.7
186.87517	1.1
229.14397	8.9
233.14185	0.8
267.15875	37.3
268.16245	1.2
282.27853	0.9
285.16913	100.0
298.48438	0.9
395.90585	1.0
447.22098	3.7
465.21109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.2
55.01861	8.6
55.05508	36.0
57.03428	9.0
57.07057	8.0
65.03926	2.5
67.05492	31.1
69.03409	5.5
69.07050	26.8
71.04964	2.3
71.08618	30.7
74.05035	1.1
79.05061	1.5
79.05479	29.6
81.03393	7.5
81.06598	2.0
81.07038	31.3
82.21592	1.6
83.04963	21.1
83.08609	10.5
91.05462	20.9
93.07024	20.9
95.04931	13.0
95.08585	13.0
97.06535	5.4
97.10146	11.5
98.98447	53.5
99.08046	12.6
105.07044	12.1
107.04928	8.0
107.08585	13.1
108.05701	1.6
109.06521	5.9
109.10139	12.9
111.08025	1.8
117.06969	6.1
119.08558	8.2
121.06477	10.0
121.10113	6.9
123.07996	2.3
123.11712	1.5
125.06057	1.4
125.09599	9.7
129.06947	2.3
131.08536	5.7
133.10161	9.3
135.08057	1.9
135.11649	2.2
139.11124	1.5
141.06949	1.5
145.10052	2.7
151.11162	6.0
163.11131	1.7
167.10646	2.7
171.08162	1.3
173.02116	2.6
177.12743	3.1
179.10648	1.5
189.11244	2.2
227.12758	5.7
247.20502	2.4
253.14355	2.2
260.47913	1.7
275.20007	16.3
293.21078	100.0
337.02426	15.2
349.23679	8.5
367.24753	55.0
393.08594	13.4
429.20212	2.1
447.21155	2.9
449.14752	3.1
487.15948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30855	0.2
55.01851	0.3
55.05503	0.3
56.31169	0.2
60.89410	0.2
67.05486	0.4
69.03411	0.3
69.07056	0.2
70.91784	0.2
77.03880	0.2
79.05469	1.9
81.03378	0.2
81.07056	1.9
91.05460	3.2
93.07000	1.0
93.42844	0.2
94.04167	2.2
95.04938	1.1
101.41221	0.2
103.05453	5.0
105.06996	2.6
105.64079	0.2
107.04930	2.1
108.05763	0.3
109.06491	2.4
109.10144	0.2
115.05453	1.0
117.07005	1.4
119.04916	1.0
121.06483	4.5
122.03627	6.4
123.04394	0.3
123.08037	1.2
124.08358	0.2
128.06151	1.5
129.06992	1.6
131.04907	7.0
131.08531	0.3
132.05661	0.2
133.06473	11.2
133.10068	0.2
135.08029	1.6
136.05258	0.3
137.05956	100.0
138.06316	0.9
143.04919	1.1
143.08539	2.2
144.05656	0.4
145.06467	8.6
147.08002	0.5
149.02344	0.3
151.07527	10.2
157.06502	3.3
160.05110	0.4
161.05882	0.3
163.07509	12.0
164.04613	0.2
165.09111	0.3
171.08023	3.2
174.06725	1.6
175.07521	3.3
177.09111	1.0
179.07011	0.3
187.07535	1.6
188.08261	1.7
189.09045	3.4
193.04877	0.3
203.10641	7.8
207.08073	0.4
217.10136	0.4
220.08705	0.4
221.09528	0.3
235.11089	1.2
243.07600	0.2
245.09549	0.9
247.07520	0.3
248.08238	0.4
263.10593	2.5
280.71414	0.2
292.19672	0.3
295.13229	8.0
312.13898	0.2
312.39169	0.2
327.15833	11.1
387.17862	0.3
429.11911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42746	0.2
55.05513	0.3
56.83201	0.2
57.03421	0.3
60.08154	10.3
67.05495	1.8
69.03403	0.3
69.07047	0.3
70.06570	0.4
71.07362	3.2
79.05492	1.6
81.03400	1.0
81.07043	1.4
83.04965	0.4
84.08105	0.2
84.98926	0.2
85.02856	0.2
86.09690	51.6
86.84328	0.2
91.05457	1.5
93.07027	1.1
95.04920	0.5
95.08590	0.9
97.02856	0.2
97.06517	0.2
98.98443	3.5
104.10725	4.5
105.07036	0.9
107.08601	0.4
119.08581	0.4
121.06494	0.2
124.99979	35.6
133.10107	0.9
137.05937	1.4
137.09665	0.2
143.01035	0.4
153.36488	0.2
167.07037	0.2
184.07307	100.0
267.15814	0.8
326.14542	0.2
446.22772	1.0
464.17719	0.4
464.23972	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	465.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59093	0.6
53.03933	4.8
55.01861	1.7
55.05500	5.1
57.03424	4.4
57.03865	0.6
58.06571	1.5
60.04513	6.7
60.56723	0.6
61.02917	1.9
67.05486	3.4
69.03417	14.2
69.07056	32.2
70.06566	3.7
70.63704	0.7
71.04973	4.8
71.08619	22.8
72.08141	1.7
73.02898	3.3
77.59666	0.8
79.05470	1.3
79.82896	0.8
81.03402	13.0
81.07046	4.1
83.04966	19.5
83.08619	1.4
84.04490	5.6
84.08149	1.3
84.56865	0.9
85.02894	58.2
86.02417	3.4
86.09685	3.4
87.04453	0.8
91.05451	1.7
93.07013	4.0
95.04949	1.3
95.08595	0.9
96.08099	2.0
97.02876	33.3
97.06511	8.1
99.04442	17.3
103.03937	15.8
105.07034	6.4
106.07366	1.5
107.04926	1.5
107.08573	3.5
109.02869	23.3
109.06510	1.4
111.08110	1.3
114.09158	22.2
119.04956	0.9
119.08561	6.7
120.08095	4.8
121.06506	1.1
122.06818	0.9
124.07580	1.0
127.03902	29.4
129.06961	1.0
131.08620	1.2
133.10124	1.6
134.75497	0.9
135.07964	0.8
137.05992	3.4
138.09164	3.4
139.07513	1.0
142.08623	100.0
143.08517	1.2
145.04929	8.1
147.04312	1.6
147.11703	1.8
149.09624	1.5
152.10690	1.0
154.08589	0.9
156.10130	1.0
157.08603	1.7
157.10185	1.0
161.05963	4.3
162.06294	1.9
163.05954	1.1
163.07468	0.9
166.08679	1.4
175.07498	1.5
179.06973	1.4
180.10231	1.4
184.09666	58.9
185.13222	0.9
185.18224	0.7
189.09135	1.8
190.09442	0.9
207.10149	0.9
208.09644	19.6
213.12724	1.8
220.09613	1.7
231.13771	5.5
232.14102	3.1
238.10864	0.9
245.10150	1.6
247.59938	0.9
249.14801	1.6
250.10686	10.6
250.15054	2.9
268.11823	3.4
286.12805	9.4
304.13873	50.7
368.16891	1.5
386.18002	1.5
412.15912	5.7
430.17099	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	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00860	3.0
55.01844	3.6
57.03435	36.7
58.64385	3.4
59.04976	5.2
69.03411	100.0
74.09690	7.9
75.04449	8.2
83.04961	4.9
85.02892	87.1
86.06061	6.5
87.04447	78.9
87.56360	3.8
97.02859	85.5
99.04396	4.4
102.39523	4.5
104.07079	26.3
107.04952	9.3
115.03909	58.1
119.67657	4.1
127.03862	4.6
131.04912	15.1
133.04958	58.7
137.05994	6.1
144.73479	4.6
145.04947	4.2
147.04335	4.7
149.05949	6.2
175.11115	4.1
177.05392	6.7
183.36714	4.5
202.08881	3.9
204.70282	3.5
260.46198	3.8
263.00879	4.3
281.51501	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	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	0.4
53.03931	0.6
55.01851	0.7
55.05498	2.6
56.05024	0.4
57.03175	0.7
57.03427	11.9
59.04974	0.8
61.02901	1.9
64.33247	0.4
67.05515	0.6
69.03416	5.7
70.06573	2.1
71.01323	0.6
71.04974	81.7
72.08121	0.6
73.02917	3.6
75.04454	4.6
79.05463	0.4
80.48489	0.4
81.03408	1.9
81.07018	0.4
83.04964	10.3
84.04485	0.7
85.02888	100.0
86.09695	0.5
87.04449	3.8
91.05451	2.4
93.07014	2.5
95.04951	0.7
95.08583	0.5
97.02868	6.8
97.06480	0.5
99.04442	2.8
103.03909	0.8
105.07021	2.3
107.04922	2.2
107.08569	1.7
109.02861	2.2
110.05988	0.6
111.04416	3.7
113.05960	1.0
117.06998	0.9
119.08575	0.8
121.06476	11.1
125.05982	0.5
126.61903	0.5
127.03892	5.1
129.05447	25.5
129.06982	0.9
131.04927	0.5
131.08528	2.1
133.06497	0.7
135.08051	3.4
137.05972	2.8
137.09630	0.5
139.07491	0.6
143.08582	0.6
145.04910	3.2
145.06439	2.5
145.10117	0.6
147.04440	0.9
147.06500	12.3
147.07964	0.9
149.09657	0.6
151.07564	0.9
153.09108	0.6
159.08047	1.9
161.06006	0.6
163.06197	0.5
163.07536	2.3
164.09143	5.0
169.06500	0.5
171.07990	0.5
175.07520	1.0
177.05360	0.5
179.10661	0.5
187.07512	5.4
189.12614	0.4
193.08569	0.6
194.70471	0.4
201.09279	0.4
204.10213	0.4
205.08562	3.7
219.13802	1.0
231.10153	1.6
231.13773	0.9
237.07669	0.4
237.14851	0.5
249.11230	0.9
249.14738	1.6
255.08597	0.9
267.12256	2.2
267.15897	0.9
273.09668	0.9
309.11710	2.2
315.13513	0.7
316.13675	1.8
443.13229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32335	2.2
55.05508	20.8
57.07056	6.4
67.05502	4.9
69.07050	25.2
70.53070	2.9
81.07050	12.4
83.08606	11.4
90.41582	2.3
91.05451	2.9
92.09335	6.7
95.08579	11.4
97.10135	2.9
109.10144	6.2
119.08506	3.7
131.08565	3.4
134.05986	11.7
135.08055	4.8
135.11621	3.8
137.09622	15.0
149.09613	22.1
163.11171	14.9
165.09077	100.0
175.11060	3.5
175.40829	2.8
177.09070	6.6
191.10632	3.2
205.12311	5.4
225.04172	3.7
427.35083	4.3
445.36697	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	463.3779
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
50.91684	2.8
51.63201	2.7
55.05509	17.6
57.07072	39.5
59.23695	3.8
63.02106	3.4
67.05514	8.2
69.07066	27.4
70.16228	3.5
71.08613	17.8
81.07053	16.5
83.08617	8.3
85.10172	7.1
90.47372	3.3
91.05410	4.0
93.07002	5.0
95.08593	18.1
97.10161	15.9
105.07019	4.3
107.08571	4.5
109.06506	8.0
109.10163	3.8
116.03841	3.4
123.08054	8.4
125.06016	18.8
127.07533	19.8
137.05965	6.5
139.07529	100.0
149.06123	3.8
149.09633	4.8
151.07529	4.3
165.09172	4.5
177.09015	5.1
236.80244	4.0
282.04510	3.5
299.72528	3.4
319.29926	4.0
417.37341	4.5
445.36545	34.7
463.37756	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	463.3779
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.05498	11.3
57.06817	1.8
57.07072	34.5
67.05488	3.6
69.06775	1.5
69.07063	25.8
69.84710	1.5
71.08616	21.6
76.02406	1.5
78.87982	1.7
79.05469	7.3
80.58417	1.7
81.07037	17.6
83.08609	15.3
85.10170	8.4
93.07018	8.9
95.08595	12.3
97.06500	1.6
97.10127	9.1
99.04433	2.3
105.07022	6.4
107.08554	2.4
109.06482	11.6
109.10119	9.6
110.42053	1.6
111.08033	2.5
115.29613	1.4
116.37195	1.5
117.37592	1.6
119.08553	3.6
121.10087	1.7
123.08067	12.3
123.11615	2.2
125.05988	12.9
127.07523	19.7
135.11641	1.7
137.05927	2.6
137.09587	2.8
139.07524	100.0
145.10074	1.6
149.05927	6.1
151.07516	7.2
161.13161	2.2
163.07550	1.9
163.16904	1.7
165.09093	2.3
167.06990	2.5
175.14897	2.2
177.09077	11.1
178.64078	1.7
193.79372	1.6
225.56639	1.8
319.29959	3.1
347.33054	8.5
391.92249	1.9
417.37201	6.9
438.11606	1.7
445.36609	29.2
463.37781	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86361	1.0
55.01870	1.1
56.05031	3.8
57.03429	2.0
58.99586	1.5
59.80127	0.9
61.02902	2.4
61.13449	0.9
61.22351	0.9
65.84023	0.9
69.03408	7.5
70.06579	1.8
74.00653	4.6
81.03392	2.1
85.02895	21.6
86.48294	1.0
88.02198	2.3
88.77228	1.2
95.04931	1.1
97.02869	7.4
100.02188	1.4
102.04663	1.8
103.05449	29.9
103.33461	1.0
104.07069	1.0
107.04941	4.5
109.02863	1.1
116.05132	1.2
117.66878	1.1
120.01136	6.2
123.04372	1.3
127.03931	1.3
130.04108	1.8
131.04907	100.0
133.06424	1.8
135.02618	23.0
137.05960	54.7
146.02641	2.7
147.04414	2.7
160.04239	6.7
161.05952	7.0
162.06740	44.5
163.00716	1.9
163.02089	58.7
163.03410	2.3
163.07509	25.1
191.30031	1.2
195.04730	92.8
213.05788	6.8
238.08984	1.7
256.92654	1.1
284.09454	30.6
285.07721	1.3
302.10483	55.4
365.93106	1.6
398.43506	1.3
406.54364	1.1
477.67566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
55.39083	0.8
63.02378	1.2
67.05497	2.4
70.86980	0.8
74.21385	1.1
79.05466	1.8
81.07040	5.7
83.08665	0.9
89.03891	9.1
91.05420	2.3
93.06997	3.2
95.08591	4.1
109.10136	1.6
109.85838	0.9
117.03362	37.1
117.04154	1.7
117.23851	0.9
119.04913	1.8
134.03545	1.1
135.11697	1.0
145.02835	95.7
147.04381	7.7
149.05945	17.3
157.81544	1.0
164.11047	1.0
176.25766	0.9
177.05437	100.0
193.96976	0.9
231.97055	1.1
266.47604	0.9
291.15445	1.2
463.26575	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50886	0.7
55.01868	1.2
55.05500	1.3
55.42115	0.7
57.24221	0.6
67.05482	1.7
69.07047	4.9
72.07805	0.8
79.05482	9.2
79.53262	0.8
81.07045	2.1
83.04949	4.0
89.17789	0.8
89.48914	0.9
91.05480	4.2
94.04153	1.3
95.04937	2.1
97.06516	8.2
99.54493	0.8
103.05458	12.1
105.07034	4.3
107.04949	1.5
109.06538	1.4
114.81173	0.8
115.05433	1.0
117.07018	1.8
119.04947	1.0
119.08520	1.4
122.03638	4.9
128.06258	1.2
129.06976	0.8
131.04913	26.3
131.08588	1.1
133.06493	2.1
135.04436	3.8
135.08037	1.2
137.05959	100.0
141.68295	0.8
143.08540	1.7
145.06511	2.1
147.04361	1.6
147.08049	1.7
150.06786	8.2
151.07472	1.4
154.30305	1.0
159.08043	1.1
161.05969	5.1
161.09537	1.8
162.06662	1.5
163.07512	62.9
165.09082	1.5
171.08043	3.5
175.07455	1.3
183.08044	1.3
185.09680	1.0
189.09082	7.8
207.10114	4.3
210.11876	0.9
213.09079	1.5
215.10698	5.4
241.12221	26.9
259.13214	19.4
273.14886	1.4
285.11493	1.3
285.14780	17.3
303.15924	2.0
384.05063	1.1
390.58121	0.8
409.20001	5.4
426.52704	1.0
427.21057	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	463.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
54.25614	1.5
55.01861	3.0
55.05500	12.2
56.05024	8.8
56.96562	1.8
57.03438	2.3
58.99578	18.1
61.34626	1.4
67.05143	3.6
67.05495	66.7
69.03418	2.5
69.06728	1.9
69.07053	17.6
70.06570	2.5
71.04984	2.3
72.08135	2.1
74.00643	2.5
74.53598	1.5
76.02209	40.3
79.05479	34.4
81.03374	2.2
81.07041	100.0
82.07409	1.5
83.04964	7.5
83.08606	18.8
84.04491	90.0
85.02922	6.3
85.06529	9.1
85.34341	1.5
85.98704	1.7
86.00642	25.7
86.06088	1.5
86.83848	1.6
86.99047	16.5
87.02677	10.7
88.03982	8.5
91.05459	30.3
93.07025	71.2
95.04930	4.0
95.08580	32.3
97.01105	27.3
97.06522	14.5
99.02655	2.5
99.08062	2.5
102.05571	2.2
103.05472	2.1
105.00075	15.1
105.07023	17.0
107.04940	3.5
107.08588	32.7
109.06516	3.1
109.10146	6.6
111.02659	7.9
111.08066	8.9
113.05997	1.8
114.03725	2.8
114.74188	1.6
115.05461	1.4
117.06995	19.5
119.08571	8.4
120.08121	2.8
121.06497	2.5
121.10101	15.2
122.02710	90.3
123.02630	3.5
123.11682	4.0
125.04181	1.7
125.09605	2.2
130.04979	20.3
131.04883	2.1
131.08551	23.1
132.01117	31.5
133.10083	26.1
135.08070	2.6
135.11665	27.2
137.04242	5.8
137.05960	9.0
142.03175	16.5
145.10106	3.0
147.04443	1.8
147.11693	2.9
149.09613	3.3
149.13255	47.5
150.04074	1.6
151.11140	3.5
155.76668	1.5
157.10196	2.4
159.11658	32.3
165.07332	10.6
165.12782	1.6
177.12711	25.2
183.08350	7.3
188.02303	1.8
188.03700	11.3
191.08788	2.4
195.13788	39.3
201.09351	2.2
209.09895	3.6
212.16365	2.9
213.14841	8.4
226.12573	2.7
234.04207	6.5
244.09380	1.9
251.06747	3.1
251.31903	2.0
252.14091	6.9
253.12553	5.6
270.15204	13.2
271.13657	2.8
273.11545	2.5
286.04507	3.2
288.16217	8.7
298.14883	3.4
301.06979	9.1
316.15701	68.0
317.14166	7.7
334.16827	26.4
351.19568	2.2
445.19971	14.2
446.17822	2.0
463.21082	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	462.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01863	1.4
57.03422	1.3
61.24208	0.6
67.05495	3.1
69.03419	0.9
69.07053	6.9
79.05478	10.5
81.03429	0.8
81.07045	5.6
83.04965	3.4
85.02925	0.7
85.06521	0.7
91.05460	4.3
92.09254	0.9
93.07021	1.3
94.04173	1.0
95.04961	1.5
95.08573	1.0
97.06509	64.6
103.05446	17.0
105.07010	2.7
107.04952	1.1
107.08582	0.7
109.06532	1.4
111.63428	0.7
115.05424	0.8
117.06986	1.6
121.02871	0.8
121.06541	0.9
122.03632	4.0
123.04419	0.8
129.06979	1.4
131.04901	40.7
131.08502	1.2
133.06490	1.1
137.05954	87.9
143.08560	2.6
145.06506	1.3
147.04405	3.4
147.08069	2.8
150.06755	3.7
151.07521	1.5
155.08475	0.9
157.10094	1.4
159.08076	2.9
161.05945	6.5
161.09587	2.6
162.06720	1.5
163.07509	100.0
165.09106	3.1
171.08049	2.7
175.07574	1.4
185.06100	0.7
185.09579	1.6
187.07573	3.0
187.11057	1.0
189.09097	9.4
193.08730	0.8
203.10594	1.1
207.10258	1.1
213.09108	1.1
213.12961	0.8
215.10645	4.7
217.08569	1.6
227.03319	1.3
231.10185	0.9
239.10704	0.9
241.08443	0.7
241.12187	20.9
259.13251	24.3
264.73334	0.8
271.02170	0.7
273.14935	2.2
285.11954	1.2
285.14810	13.6
301.10788	0.8
303.15826	16.6
383.18405	1.2
389.06464	2.6
391.19135	0.9
409.20175	8.7
427.21191	7.5
463.10138	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05502	1.8
57.03429	1.5
61.02917	1.0
65.03935	1.0
67.05506	9.3
69.03416	12.3
69.07040	1.8
71.04974	1.9
72.08132	0.9
74.71957	0.8
79.05470	3.9
81.03389	1.0
81.07037	6.3
83.04963	2.1
84.99478	1.1
85.02889	11.0
91.05462	5.1
93.07032	11.1
95.04945	15.1
95.08577	4.7
97.02864	5.4
97.06516	2.2
99.04426	1.7
103.05435	1.3
105.07027	18.1
107.04937	1.2
107.08572	6.8
109.02837	2.1
109.06512	8.6
109.10108	0.9
111.04416	12.0
111.08039	2.0
113.06003	5.4
117.07001	3.8
117.52145	1.0
119.04951	1.2
119.08567	24.6
121.02851	2.0
121.06475	13.4
121.10133	5.2
123.04395	1.2
123.08067	8.7
123.73586	0.9
127.03935	1.3
129.06998	3.6
129.60518	1.0
130.07777	1.3
131.08548	12.7
133.06459	6.1
133.10112	5.0
135.08014	21.9
136.07570	2.4
137.05942	1.8
137.09612	2.3
139.03917	1.3
139.07555	1.7
141.06941	1.9
143.08559	6.5
145.06503	5.3
145.10107	11.4
147.04404	1.5
147.08038	14.5
147.11659	4.9
149.05989	1.9
149.09569	1.7
149.17825	1.0
154.08585	1.1
155.08572	1.7
156.09322	2.3
157.10048	9.2
158.07249	6.4
159.08028	15.4
159.11668	11.6
161.09578	14.9
161.13304	1.7
163.03856	1.5
163.07605	1.0
165.09091	6.7
168.09291	3.5
169.10066	1.7
171.07993	1.8
171.11664	2.1
172.08809	5.9
173.09581	6.0
173.13243	5.1
175.07520	21.2
175.11140	11.3
183.11632	3.9
185.09546	1.3
186.10350	1.2
187.07495	4.9
187.11240	12.1
189.09096	5.2
189.12738	4.6
191.06862	1.1
193.08540	4.5
193.10104	2.1
196.08755	1.6
199.11136	6.3
201.12715	10.1
203.10616	10.3
205.12337	1.6
206.65004	1.0
211.11169	6.5
217.12250	5.5
219.13797	1.7
229.12143	11.3
237.02921	1.3
247.13268	22.1
265.14288	100.0
273.90109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
54.81699	0.7
55.01873	1.5
55.05510	0.9
57.03418	4.1
59.04987	1.2
61.02913	5.0
63.13954	0.7
67.05485	5.7
69.03415	16.9
69.07040	3.5
70.06570	5.6
71.04971	9.9
72.08131	1.6
73.02888	3.5
78.86867	0.9
79.05467	2.1
81.03408	17.9
83.04963	1.6
84.08156	0.9
85.02888	72.4
86.06055	1.0
86.09677	1.6
86.48830	0.9
91.05423	7.9
92.08714	1.0
93.07011	6.5
93.69753	0.9
95.04954	12.8
95.08559	1.6
97.02261	1.8
97.02872	45.7
97.06508	5.1
99.04432	65.4
103.03920	97.0
105.07016	7.4
107.04922	1.3
107.08575	4.8
107.40613	0.8
109.02863	22.0
109.06479	1.3
111.04410	1.5
115.05426	1.0
116.06120	1.0
117.06985	2.0
119.04893	1.1
119.08553	5.4
121.06487	12.3
121.10107	3.6
122.05968	0.8
123.08000	1.7
125.05946	1.9
127.03892	100.0
128.06178	0.9
129.06929	1.4
129.69110	0.8
131.04935	1.9
131.08528	13.9
133.10092	4.7
135.08034	4.6
137.05939	1.8
138.09109	3.3
141.07001	1.5
143.08549	4.2
145.04935	39.5
145.06573	1.4
145.10097	8.1
147.04398	3.4
147.08041	3.1
149.09610	2.2
149.70497	0.8
151.07524	7.3
155.08487	1.9
157.10126	1.9
158.10889	4.4
159.08031	23.4
159.11662	5.8
161.05913	0.9
161.09569	2.0
163.06012	30.0
163.07501	4.4
164.10654	5.5
168.09253	1.4
169.04938	1.0
171.07996	1.8
172.08804	4.7
173.09575	4.8
173.13220	18.5
175.07573	1.3
177.09082	4.3
179.07133	1.0
182.59769	0.8
183.11670	1.8
184.04517	0.9
186.10385	7.5
187.05954	3.8
187.07568	4.2
187.11177	4.2
189.09059	2.0
196.08766	1.0
201.12735	16.9
205.06961	1.2
205.08621	1.4
211.11176	1.7
219.13759	12.5
229.08591	1.3
229.12172	18.1
247.13242	38.1
259.11072	1.2
265.14221	4.9
271.08054	5.3
289.09106	4.9
307.10083	9.7
330.55655	1.1
461.19669	1.2
462.20126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40409	1.9
53.03939	3.2
55.01861	10.1
55.05506	57.2
57.03419	9.4
67.05489	89.4
69.07057	30.6
71.04976	3.4
76.56558	2.2
79.05053	4.6
79.05476	74.9
79.95399	2.4
81.07034	81.1
81.07480	4.3
83.04953	5.0
83.08620	23.6
91.05459	100.0
93.07029	63.7
95.04951	20.2
95.08577	45.9
97.06518	17.2
97.10152	5.8
103.05472	6.0
105.07013	82.6
107.04935	10.9
107.08588	33.2
109.06504	5.0
109.10094	20.5
111.08086	5.4
115.05460	16.7
116.06239	3.2
117.06994	63.1
119.04857	2.7
119.08558	39.2
121.06494	12.9
121.10129	12.1
123.08019	4.9
128.06204	22.6
129.06978	77.1
130.07813	3.0
131.08542	74.0
133.06444	12.2
133.10136	17.8
135.08008	6.2
135.11714	4.6
141.06966	32.7
142.07802	14.0
143.08549	57.8
145.06468	14.0
145.10107	36.0
147.08026	5.3
147.11641	4.1
149.09637	4.9
153.06973	3.9
155.08534	56.7
157.06436	5.3
157.10124	34.7
159.08052	9.4
159.11684	19.2
161.09518	3.6
165.06895	2.7
165.89662	2.6
167.08536	26.6
169.10101	29.2
171.08014	4.6
171.11690	18.5
173.09651	4.6
173.13234	5.8
175.11183	3.6
179.08568	4.7
181.10153	19.2
183.11644	18.3
185.13232	11.6
192.09282	2.8
193.10150	5.2
195.11685	16.9
197.09517	2.6
197.13225	10.2
199.14790	3.9
201.12743	3.6
207.11681	5.4
209.13266	10.4
211.11267	4.1
211.14832	12.7
215.14238	4.6
221.13216	12.8
223.14774	5.4
233.15665	2.7
235.14786	3.7
239.14355	3.3
243.17448	2.4
249.19012	2.6
253.15872	4.0
257.15335	5.5
269.42090	2.6
271.16922	4.1
323.23639	5.9
333.21957	11.3
341.24661	10.0
351.23102	41.9
369.24054	32.0
387.25082	22.0
415.28101	2.8
425.26828	4.8
443.27887	83.5
461.29031	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00806	0.3
53.03948	3.3
55.01866	2.9
55.05507	13.8
55.59426	0.4
57.03148	0.5
57.03426	10.8
61.02917	2.8
63.43166	0.4
65.03920	1.5
67.05494	34.8
69.03407	1.0
69.07054	8.1
71.04962	1.8
73.02907	1.0
73.06528	0.5
79.05474	52.0
81.03413	6.7
81.06545	0.4
81.07040	30.9
83.04965	15.2
83.08605	4.3
85.02895	2.7
85.06513	2.0
91.05462	35.2
93.07026	42.9
95.04949	14.8
95.08585	18.3
97.02855	2.1
97.06528	2.6
97.10124	1.8
99.08068	1.6
103.05442	0.5
105.04490	0.5
105.07013	25.8
107.04930	4.5
107.08581	13.3
109.06492	4.6
109.10155	3.4
111.08103	0.6
113.86863	0.5
115.05408	0.7
117.06995	5.5
119.08562	16.4
121.06467	2.2
121.09313	0.4
121.10079	2.8
123.08035	4.1
125.05967	0.4
127.03927	0.4
128.06146	0.9
129.06987	11.3
131.08546	2.3
133.06456	0.6
133.10112	7.5
135.08035	0.5
135.11664	2.2
137.05919	0.6
137.09572	0.5
137.53935	0.4
141.06972	0.5
143.08545	6.2
145.10094	7.1
147.07986	1.5
147.11671	21.0
151.07504	1.7
156.09314	0.6
159.11749	0.5
161.09598	2.2
161.13235	7.7
163.11099	0.5
171.10211	0.4
171.11655	14.1
189.12723	5.1
207.13774	7.9
281.17422	100.0
282.17612	0.6
381.64401	0.4
391.26962	0.4
443.15958	0.6
443.22348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.8
56.96556	3.3
67.05489	0.9
69.07036	3.2
70.06582	0.6
71.04965	1.0
78.71684	0.7
79.05489	1.2
81.03416	0.9
81.07022	3.6
83.04965	1.3
83.08618	1.5
84.04480	5.7
84.08128	0.7
85.02885	3.1
85.06506	1.0
86.09740	0.7
91.05429	1.4
92.09336	2.1
93.07048	1.5
95.08556	1.1
97.06492	3.9
98.09695	0.9
98.97577	1.1
100.11224	4.0
107.04952	1.0
116.98588	0.9
123.04401	6.4
128.06998	0.9
131.04854	1.0
134.99774	0.8
137.05960	4.7
142.03157	0.9
147.04393	1.3
147.08040	0.8
151.07521	1.0
160.97911	0.9
160.99117	4.8
165.99387	1.3
177.09090	1.4
179.00124	29.2
182.15324	1.4
184.00459	7.0
193.01730	1.4
197.01196	100.0
198.01953	4.4
199.02684	1.6
202.01555	3.4
210.01968	1.2
210.14833	1.2
211.02730	5.9
211.99805	1.3
215.02249	30.5
216.03008	1.3
219.03232	0.8
219.10094	1.8
220.02969	1.1
220.10570	0.7
223.02739	4.2
224.03531	1.7
229.03802	1.1
235.02792	0.9
236.03435	1.2
237.04308	3.9
241.03853	1.2
245.11649	3.0
246.11987	0.9
249.04321	16.4
250.05038	3.0
253.03828	1.0
254.04347	1.2
255.05299	1.8
256.06104	4.6
264.13077	1.0
267.05362	9.4
268.06152	5.3
269.06992	1.5
274.07254	3.9
281.06876	3.7
286.07193	3.0
295.08405	1.0
297.04330	3.1
298.07065	0.9
310.05032	1.1
313.09457	2.8
315.05365	3.6
316.06201	4.4
329.06790	1.0
334.07144	3.1
341.06735	1.3
343.08450	3.0
355.08215	0.9
356.09299	1.8
356.39828	0.8
368.09314	3.2
373.09451	5.7
374.10364	14.9
386.10263	11.5
389.12653	1.7
391.10367	1.0
392.11249	5.2
397.11697	1.0
401.12479	9.7
404.06284	1.5
404.11365	34.1
419.13690	70.0
422.12408	12.9
437.14398	5.2
442.15106	3.4
461.14655	29.1
461.25082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01864	17.2
55.05503	11.6
57.03423	3.4
57.07072	3.2
65.03904	2.0
67.05495	33.7
69.03413	13.4
69.07056	19.1
71.01358	1.7
71.04969	7.1
77.73546	1.6
79.05477	29.8
81.03401	3.3
81.07044	26.4
83.04960	7.0
83.08598	2.4
85.02904	4.4
85.10171	11.3
90.21402	1.5
91.05451	33.0
92.08752	1.9
93.07032	34.9
94.87173	1.7
95.01315	4.3
95.04958	9.8
95.08588	69.0
97.06509	100.0
103.05450	10.7
105.07006	17.5
107.04948	9.1
107.08584	8.7
109.02833	2.6
109.06493	4.2
109.10127	14.4
111.04455	3.6
113.09628	6.8
114.36850	2.1
117.07014	9.7
119.04916	2.6
119.08561	25.2
121.06487	8.6
121.10107	2.7
123.04432	3.7
123.08087	4.4
125.02357	3.5
129.06993	8.6
131.04915	37.1
131.08569	15.7
133.06476	14.0
133.10167	6.8
135.04408	36.3
135.08046	10.3
135.11777	2.0
137.05940	8.3
137.09595	19.6
139.03831	3.6
141.06987	4.0
143.08560	11.5
145.06500	8.8
145.10106	3.3
147.04427	3.8
147.08044	7.8
149.05966	8.1
149.39619	1.8
151.03880	3.0
153.05481	2.4
153.06973	2.0
155.08528	8.0
157.10132	7.1
159.04401	2.5
159.08031	9.9
161.05957	77.5
161.09575	2.5
163.03854	15.8
163.07512	32.8
165.09061	2.5
167.08455	1.9
169.10126	2.4
171.08038	8.1
173.05954	7.4
173.09567	3.9
175.03929	3.2
175.07494	7.5
175.11171	2.5
177.05486	8.5
179.07076	2.5
181.04863	2.4
181.10129	2.2
183.08057	2.2
185.06020	2.0
185.09647	7.1
187.03897	6.8
187.07596	8.3
187.11147	3.5
189.05377	16.9
189.09081	16.3
191.06987	3.1
191.10597	2.6
193.08585	3.6
197.09570	2.7
199.11172	3.1
201.09094	2.0
203.07092	3.1
203.10658	4.2
205.08510	3.5
207.10141	2.9
211.11180	3.0
213.09129	3.8
215.07037	2.6
215.10712	3.4
217.08496	2.9
217.12190	2.7
219.10086	10.1
221.11723	2.4
231.06552	2.9
231.10162	7.5
233.11765	8.1
235.99055	2.0
237.09064	2.3
238.07240	2.0
241.08563	4.1
241.12296	2.1
241.98830	1.8
243.10106	7.6
243.19199	1.9
245.11766	13.5
255.10155	3.7
257.11526	2.3
259.09750	2.3
259.13266	19.4
261.07568	7.5
275.12653	2.5
277.10648	3.1
279.08585	16.6
285.14825	9.1
297.09564	1.9
301.17899	2.8
303.15741	16.7
313.18018	2.6
318.76083	1.8
325.17831	2.6
341.17422	27.7
343.18936	8.0
347.18692	2.2
351.14487	3.4
353.17514	7.3
359.18503	76.5
361.19794	2.4
371.18512	27.2
389.19525	51.7
400.05438	2.1
407.20728	59.7
425.21643	17.9
460.33499	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	460.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27502	0.4
53.00296	0.6
55.01874	4.1
55.05499	0.8
57.03418	2.7
57.07061	1.2
59.39496	0.5
67.05486	5.0
69.03411	1.1
69.07048	5.5
69.52892	0.5
77.03918	0.5
79.05475	10.6
81.03385	2.4
81.07023	3.8
82.74236	0.5
83.04947	0.5
83.08587	0.9
85.10156	4.6
87.15554	0.5
87.89107	0.6
88.77067	0.5
91.05473	4.3
93.07017	2.6
95.01302	1.3
95.04930	2.7
95.08596	5.1
97.02843	0.8
97.06513	100.0
103.05447	11.8
105.03345	0.7
105.07007	2.2
107.04903	0.7
107.08584	2.1
109.06499	0.7
109.10103	0.8
110.26383	0.6
113.09624	3.6
117.06965	2.4
119.04861	0.8
119.08538	3.2
121.06464	0.8
121.10132	0.9
123.04378	0.8
123.08047	1.0
128.06267	0.7
129.06943	1.3
131.04906	37.8
131.08516	2.7
133.06459	1.4
135.04396	31.0
135.07948	2.0
137.05940	2.7
137.09573	1.0
141.06949	0.6
143.08566	2.3
145.06473	1.2
147.07976	1.2
149.05962	2.3
149.09573	0.8
151.11156	0.6
157.10074	1.0
159.04362	0.6
159.08025	3.1
161.05952	65.2
161.09625	1.2
163.07513	30.7
171.08063	2.4
173.05966	1.0
175.07483	2.3
175.11168	0.7
181.08612	0.9
181.54234	0.5
185.09587	2.3
187.07524	3.9
189.05533	0.7
189.09082	8.4
191.07091	0.8
193.12241	0.7
199.07419	0.7
203.10602	1.2
205.08601	1.0
209.08086	1.1
213.09256	0.6
215.07033	0.9
215.10585	2.1
217.08525	4.3
219.10181	2.7
233.07768	0.6
233.11752	0.7
241.12144	3.0
249.18529	0.7
259.10489	0.8
259.13245	20.4
261.07611	1.0
269.10092	0.7
277.14307	1.0
279.08554	0.7
285.14801	7.7
297.09656	7.6
303.15848	26.0
359.18283	0.6
365.14066	0.7
381.16809	1.3
389.19147	3.4
407.18161	9.3
425.21606	11.5
460.23840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
53.89701	0.6
54.20794	0.6
55.01865	2.6
55.05478	1.4
56.91957	0.6
67.05489	1.6
69.07058	6.6
79.05470	11.1
81.03412	0.9
81.07027	4.5
83.04951	5.3
90.12946	0.6
91.05448	2.9
93.07037	1.4
95.04930	3.9
95.08607	1.0
97.06499	7.8
103.05441	8.9
103.37519	0.6
105.03389	0.6
105.06999	2.9
115.05489	0.7
116.06181	0.8
116.85718	0.7
117.06998	1.4
119.08563	2.5
120.87392	0.7
121.05437	0.6
121.06451	1.0
123.04383	3.4
129.06964	1.2
131.04907	18.4
131.08514	0.9
134.70415	0.7
135.04393	100.0
135.07954	2.4
136.05162	1.0
137.05965	3.9
141.06995	1.2
143.08575	1.4
145.06413	1.5
147.04398	3.6
147.08006	3.0
148.05173	4.4
149.05901	3.4
155.08574	0.9
161.05956	26.4
161.09596	1.6
162.06683	1.1
163.07510	32.0
171.08058	1.2
175.07481	3.8
177.05391	0.8
177.09045	1.4
181.08585	0.8
185.09531	1.0
187.07578	0.8
189.09056	5.4
193.08614	1.1
199.07701	0.7
205.08466	0.9
207.08034	0.9
207.10036	1.0
212.60773	0.7
213.09026	1.0
215.10634	5.5
225.09102	0.7
231.10196	1.1
233.11711	0.8
241.12241	13.3
253.08507	1.1
259.13242	19.3
267.13702	0.7
273.14740	4.8
279.10144	1.0
283.09708	1.3
285.14728	4.8
303.15851	4.0
328.12955	1.3
361.13968	0.9
365.13290	0.7
381.16492	0.8
403.90738	0.7
407.18460	7.3
425.19485	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57912	0.6
55.01857	3.1
55.05500	1.2
57.03430	1.4
59.63269	0.6
64.32993	0.7
65.39004	0.6
67.05489	3.3
69.07056	8.9
78.65349	0.5
79.05471	15.4
81.07067	2.5
83.04974	3.0
85.23196	0.6
91.05499	1.3
93.07024	1.5
95.04940	3.5
97.06513	63.4
103.05451	15.7
105.03379	0.7
105.07024	1.6
107.04945	1.3
109.06480	0.9
117.07021	3.0
119.08576	1.4
123.04420	1.5
128.06227	1.3
129.07007	2.8
131.04904	38.1
131.08600	1.4
133.06465	1.2
134.76140	0.7
135.04398	100.0
136.05159	1.2
137.05983	3.9
143.08540	4.6
144.74384	0.6
145.06474	1.5
147.04454	3.8
147.08023	2.8
148.05208	3.5
149.05981	5.0
151.03864	0.8
155.08525	0.9
157.10155	1.0
159.04355	3.2
159.08105	1.2
161.05956	58.6
161.09633	2.6
162.06706	1.3
163.07512	40.7
167.08589	0.8
171.08080	3.2
173.05919	0.9
175.07513	2.9
177.05545	0.8
178.10446	0.7
179.06876	0.7
179.08467	0.9
183.08052	0.7
185.05998	0.8
185.09628	2.5
187.07513	1.3
189.09061	9.9
193.08704	0.7
197.09525	1.0
203.10645	1.1
205.08507	0.9
207.08174	0.7
207.10098	1.3
213.09155	1.2
215.10664	5.1
217.08702	1.0
224.00995	0.7
231.10204	1.2
233.11707	1.0
239.10651	1.0
241.12236	13.7
259.10477	1.1
259.13254	26.6
265.08566	1.2
273.14877	5.1
277.14386	0.8
279.10202	1.0
283.09637	2.8
285.14737	9.8
290.99722	0.7
299.09067	0.7
303.15900	17.1
321.11139	1.0
328.12952	1.1
363.15918	1.2
379.14981	0.8
381.17078	1.0
389.18124	1.1
407.18402	12.6
425.19464	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05498	0.4
57.03181	0.2
57.03432	4.3
61.02908	0.5
64.32786	0.2
69.03411	0.9
69.07044	0.9
71.04977	27.6
73.02893	0.8
75.04452	0.9
79.05473	0.5
83.04968	2.3
85.02891	27.9
87.04443	0.5
91.05465	4.3
93.07025	0.3
97.02860	0.8
97.06513	2.4
99.04427	0.4
101.05990	0.2
111.04420	1.1
115.05444	11.7
116.06226	0.5
117.06999	100.0
122.06037	0.3
123.04424	2.3
126.43401	0.2
127.03935	0.4
129.05449	6.6
129.06964	0.5
131.08569	0.5
133.06470	0.9
137.05986	0.5
146.08206	0.3
147.04440	0.4
147.06516	2.1
149.05962	0.8
151.07448	0.2
159.08054	0.3
164.09140	2.1
164.65376	0.2
177.05502	0.4
201.09108	1.0
219.10225	1.1
221.08078	0.3
245.11732	1.6
263.12653	1.5
460.16611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05493	2.5
57.03427	8.1
57.71336	1.3
61.02891	1.7
61.20345	1.1
61.78187	1.2
61.83824	1.2
67.05492	7.5
69.03417	10.8
71.04978	36.0
73.02917	1.7
79.05477	3.2
81.03400	2.4
81.07048	10.0
81.94735	1.3
83.04983	14.2
84.08132	1.8
85.02893	47.8
91.05459	13.4
92.09264	4.3
93.07018	16.4
95.04936	10.9
95.08616	2.0
97.02876	2.9
97.06512	15.3
99.04407	5.6
102.09201	1.5
105.07018	22.4
107.04953	1.9
107.08583	13.9
109.02876	2.5
109.06500	8.7
109.10105	1.9
111.04426	5.9
113.02348	20.3
115.05439	7.9
117.06998	62.3
119.04908	3.0
119.08551	14.8
121.06493	32.1
121.10118	2.2
123.04391	6.1
123.08040	4.8
123.11685	5.8
124.63233	1.4
125.05920	2.0
129.05447	9.2
129.07043	2.2
131.04932	3.3
131.08575	13.5
133.06470	12.5
133.10123	9.1
135.08041	30.9
135.11743	1.8
137.05943	6.2
137.09636	1.9
141.07002	2.0
142.07797	2.1
143.08560	6.3
144.09332	2.9
145.06473	5.2
145.10095	9.5
147.06534	1.9
147.08054	7.7
147.11678	5.5
149.05968	5.9
149.09523	11.4
151.11165	21.4
153.06950	1.8
156.09337	14.2
157.06499	1.7
157.10115	9.4
158.07248	1.7
159.08076	12.9
159.11662	28.3
160.08824	1.8
161.05962	17.5
161.09607	5.5
161.13194	2.4
163.07533	6.7
163.11111	10.8
165.09140	3.2
169.10143	2.0
171.07945	2.5
171.11687	16.6
172.08792	3.3
173.09633	9.1
175.07567	15.7
175.11127	16.4
176.08206	1.6
177.09117	1.8
177.12686	2.2
179.07013	2.6
181.10135	2.5
184.08861	9.6
185.09605	6.2
187.07497	5.4
187.11153	12.7
188.08394	2.6
189.05524	6.8
189.09074	1.9
189.12726	16.7
193.08601	3.2
199.11153	26.8
202.09929	3.3
203.10640	18.2
205.08594	2.0
205.12202	11.8
207.06558	5.9
209.09714	1.9
212.08348	8.4
215.10674	3.1
217.12202	23.1
219.10188	2.1
227.10634	36.3
227.14110	2.1
230.09402	2.3
233.11673	22.2
235.13249	1.9
245.11690	82.7
251.12746	21.7
263.12738	100.0
406.02551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
57.02353	0.3
57.03409	1.8
61.02898	0.5
63.99352	0.3
69.03401	1.9
69.07040	0.3
70.06573	1.2
71.04976	6.6
72.08130	0.6
73.02883	0.4
79.05479	0.6
81.03391	0.7
83.04961	1.2
84.08119	0.4
85.02891	9.9
86.09678	1.8
87.04479	0.3
91.05457	10.7
92.08739	0.4
97.02861	1.7
99.04440	0.5
105.07021	0.4
106.06545	11.3
107.04939	0.8
109.02862	0.7
109.06499	4.1
116.04898	0.6
116.69683	0.3
119.06035	1.9
121.06438	0.4
127.03912	0.8
129.05463	0.7
131.08470	0.3
134.05994	100.0
136.07526	0.3
137.05937	1.7
145.04964	0.4
147.04427	0.7
147.21228	0.3
152.07051	11.1
152.08282	0.4
162.06458	0.4
185.86041	0.3
262.10913	0.3
279.07196	0.4
297.50861	0.3
314.12347	0.5
328.91400	0.4
372.30338	0.3
442.19431	0.5
460.18823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86916	0.2
55.01878	0.3
55.05509	6.4
57.05807	0.6
69.03422	1.4
70.06579	0.6
72.08143	100.0
73.02893	0.4
84.04504	0.3
85.02896	3.0
86.06058	0.6
97.02883	0.6
100.27319	0.2
101.06022	1.0
102.17474	0.2
109.41745	0.3
116.07095	1.2
118.08640	42.1
127.03907	1.9
145.05000	1.0
241.94176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1833
Annotation	Tyr Asn Tyr
Peak:m/z	Relative Intensity
55.05507	0.9
56.67379	0.5
56.96552	1.2
57.03425	1.0
61.02907	0.6
66.66612	0.5
67.20193	0.5
69.03406	2.1
69.12910	0.5
70.06589	2.2
71.04968	2.2
72.08140	3.5
81.03425	2.3
81.07069	0.5
84.04501	0.8
84.96028	0.6
85.02898	8.9
86.03266	0.6
86.09689	1.1
87.04433	0.8
91.05483	0.6
97.02877	2.0
98.97578	2.7
99.04431	2.9
101.05995	0.8
103.03919	4.9
109.02876	1.0
116.98618	1.1
127.03902	5.2
137.05951	0.7
138.89284	0.5
145.04944	0.8
147.04405	2.3
163.06050	1.0
198.48759	0.5
203.05309	0.7
237.02802	1.0
257.07016	0.6
259.07913	0.6
297.13129	2.9
358.08182	2.9
458.60541	0.6
459.18378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.2
56.96559	17.6
70.53381	1.4
78.89722	1.4
79.05479	2.2
81.07002	1.7
82.09512	1.4
89.06001	1.3
95.04957	2.1
95.08575	1.8
97.02891	2.5
98.97563	33.2
107.08598	1.5
116.98586	32.3
134.99626	23.4
153.00677	2.9
154.89439	1.6
161.06030	2.1
179.00172	3.2
182.45868	1.6
184.00403	2.2
197.01224	8.9
215.02167	2.8
221.01228	7.0
222.02089	2.2
239.02110	1.8
250.06181	1.8
252.02888	1.5
261.09009	2.0
265.08603	7.2
281.06949	2.1
284.03589	5.9
293.11740	2.2
295.02560	2.2
297.04391	2.6
299.05914	2.4
300.02774	1.8
307.02704	2.5
308.03406	2.2
309.04135	2.5
310.05057	2.9
310.30170	1.7
311.02469	1.8
311.05951	6.6
311.12689	11.0
312.02963	9.2
313.03760	7.0
314.04544	2.6
315.05441	3.2
315.72272	1.5
317.06918	1.9
323.05771	5.9
324.02759	2.4
325.03732	6.0
326.04520	17.8
327.05444	16.0
328.06287	8.3
329.06738	2.5
330.03952	2.0
331.04825	6.1
332.05530	1.9
338.04562	3.3
339.05270	13.9
340.06131	7.6
341.03232	3.2
341.06845	21.1
342.04144	5.3
342.07788	2.4
343.04855	3.4
344.05673	9.2
345.06586	10.7
346.07181	2.6
351.05258	2.6
353.07135	3.5
354.07837	6.7
356.05606	10.5
357.06448	10.4
358.07303	7.5
359.08035	6.7
360.09003	2.1
361.05527	2.5
366.07742	3.2
369.06189	2.9
369.10214	3.5
370.07269	3.7
371.08051	9.2
372.08795	43.4
374.06558	15.0
375.07776	5.4
381.09659	1.8
382.06912	2.5
384.08829	26.9
385.05554	2.4
385.09976	2.7
387.07065	2.3
387.11255	36.6
388.08426	5.9
390.09781	56.5
397.09454	6.8
399.11020	30.2
400.08426	3.4
402.09735	32.7
403.10809	2.1
405.12317	23.7
415.10535	2.7
416.07529	6.0
417.12109	40.8
418.08643	2.4
420.10770	12.1
427.10461	2.7
429.12103	14.7
435.13480	13.4
441.12000	25.5
447.13510	2.1
459.13162	100.0
459.22491	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	458.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.4
57.03422	2.2
57.07055	9.0
59.04995	16.2
67.05481	25.4
68.06079	2.1
69.07050	5.7
71.04981	17.4
71.08649	2.5
79.05499	7.7
81.07037	97.4
83.08617	38.0
85.06557	3.2
91.05473	15.2
93.07038	25.9
94.65562	3.0
95.08592	20.0
97.10138	8.4
105.07015	9.5
106.64529	2.8
107.08552	5.3
109.10152	10.5
111.08077	3.5
121.10099	3.1
123.11682	90.6
127.12842	2.3
133.10101	28.7
135.22832	2.1
137.13232	5.2
141.12823	2.8
151.11224	4.3
161.16791	2.4
169.12221	4.6
184.81303	2.1
187.13266	100.0
201.14874	19.6
254.85303	2.7
458.35205	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
56.05027	0.6
57.03410	0.4
60.04510	0.5
65.19643	0.3
69.03416	0.7
70.02935	0.4
70.06561	3.0
71.04962	0.4
72.08134	0.6
74.06041	0.5
84.04472	1.4
84.08134	0.6
85.02882	1.3
86.09684	9.8
86.60264	0.3
87.05567	0.7
88.03973	0.8
88.64920	0.3
91.05457	0.3
96.08099	0.5
97.02855	0.6
103.03868	0.4
109.02882	0.4
109.05112	0.5
112.08714	0.6
113.10727	0.5
115.08676	0.5
116.07065	0.4
120.06531	0.5
121.96413	0.4
130.04955	1.7
134.04585	13.8
135.02974	0.5
137.05913	0.5
138.09135	0.6
141.10190	0.7
147.07654	0.5
150.00017	0.4
152.05676	2.8
155.11751	1.6
160.02539	0.4
161.05978	0.5
164.07025	0.3
165.02269	13.9
167.02577	1.3
178.03572	0.5
182.04919	97.0
183.03271	0.5
183.11163	0.5
189.08994	0.4
193.00525	0.7
200.13876	2.7
208.02840	100.0
223.09416	0.4
228.13319	0.5
297.13269	0.5
314.09161	0.4
327.08624	36.1
340.06784	0.4
459.18268	14.0
471.94888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.4
55.01860	26.3
55.05506	32.2
55.88552	3.8
56.31507	3.4
57.03420	7.6
57.07069	3.8
57.26843	3.4
59.82274	3.9
62.17546	3.6
63.47050	3.4
65.82275	3.8
67.05495	100.0
69.03413	53.6
69.07047	27.7
70.42382	3.9
71.04956	18.5
73.02883	6.7
79.05480	50.3
81.03397	55.9
81.07037	71.7
83.08605	9.7
85.02885	9.5
91.05467	36.6
93.07030	57.2
95.08578	68.9
97.02866	49.6
99.04433	84.7
105.07022	28.8
107.08576	33.5
109.02871	37.5
109.10153	29.5
109.10767	3.7
117.06941	5.5
119.08562	17.3
121.10114	28.5
127.03887	68.6
131.08559	9.2
133.10112	15.3
135.11656	17.9
147.11638	5.8
149.13193	5.5
159.11646	5.2
178.86006	3.8
261.22174	9.3
325.79678	4.9
369.76569	4.6
405.26434	4.2
423.27213	22.9
462.26944	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	458.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38102	2.8
54.81609	4.0
55.05497	12.6
57.03415	18.8
59.15958	2.7
61.24631	3.4
65.23801	3.1
67.05492	100.0
68.61226	2.9
69.07047	13.9
71.04974	3.7
79.05466	21.8
81.07042	66.8
83.04953	3.1
83.08601	15.0
83.71301	3.0
91.05452	13.2
93.07008	33.6
95.04918	3.6
95.08572	17.7
95.19287	3.3
97.01969	3.2
97.06493	3.9
102.02348	3.4
105.07023	5.3
107.08563	17.2
109.10136	81.7
111.35201	3.4
118.18510	3.9
119.08552	5.7
121.10137	13.7
133.10121	4.4
149.13234	19.6
154.64743	3.7
173.11720	16.4
229.14330	38.4
262.50235	3.6
269.17426	31.3
299.02847	3.8
375.45062	3.5
423.27234	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15534	2.0
53.00273	2.2
53.03929	14.2
54.09536	1.9
55.01852	9.9
55.05502	39.9
57.03427	18.5
57.07071	5.4
59.84571	2.1
65.03909	3.2
65.26598	1.9
67.05141	4.4
67.05490	100.0
68.05819	3.6
69.03410	50.1
69.07056	35.6
71.01337	3.0
71.04967	4.1
71.82568	2.2
79.05009	2.7
79.05470	79.5
79.76923	1.9
81.03398	75.2
81.07036	98.1
83.04965	8.8
83.08605	13.7
85.02885	31.5
87.04453	2.4
91.05461	46.5
93.07024	83.3
95.04929	14.3
95.08009	3.7
95.08582	75.4
96.08899	3.9
97.02867	32.8
97.06496	12.9
99.08091	2.3
105.07013	47.2
107.04897	3.4
107.08577	42.5
108.04484	3.6
109.02877	20.0
109.10162	32.8
111.04394	3.6
117.06979	20.7
119.08540	36.2
119.75253	2.2
120.96602	12.9
121.06516	5.1
121.10106	35.5
123.04445	2.9
123.08064	3.8
123.11638	9.9
127.03881	13.0
128.06172	2.7
129.06973	11.4
130.58192	2.3
131.08551	30.7
133.10094	25.6
135.11673	16.1
143.08551	5.0
145.06506	3.7
145.10110	22.5
147.08012	3.8
147.11650	10.6
149.13220	11.1
153.05493	3.0
157.10144	9.2
159.11653	18.3
161.13222	4.9
163.14783	4.6
171.11664	10.7
173.13243	10.6
183.11639	2.6
185.13191	2.9
187.14786	2.8
189.12692	2.9
199.14697	3.2
203.14313	2.6
235.13341	2.7
241.19296	2.7
243.21057	2.6
261.22141	12.0
277.14194	3.1
291.23038	3.7
301.21625	2.9
303.23126	3.3
305.62262	2.3
327.23062	2.9
338.27661	17.1
341.24649	8.2
351.23151	3.7
369.24045	16.8
387.25168	22.6
405.26120	19.0
423.27258	9.6
445.70166	2.2
458.23312	26.1
476.05084	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	458.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05504	9.6
57.03419	3.3
57.05801	0.8
57.07053	0.7
59.04993	5.1
64.32941	0.5
64.33252	0.6
67.05482	0.6
69.03407	1.0
69.07054	5.7
70.06554	1.0
71.04615	0.8
71.04979	17.1
72.08140	100.0
75.04473	0.7
77.88187	0.5
81.03389	2.5
83.04948	2.6
84.08113	2.4
85.02891	22.4
86.09692	62.4
87.04427	0.6
91.05469	0.7
91.83054	0.5
95.04964	0.7
97.02836	0.9
99.04451	1.0
100.07584	0.5
105.07031	0.6
109.02900	0.6
111.04424	1.2
115.11173	0.8
117.06981	0.6
119.08576	0.8
120.19144	0.5
121.02848	1.3
121.10100	0.8
122.06023	0.6
127.03927	0.7
129.05447	4.5
129.10216	15.8
132.10172	9.4
133.12178	1.1
136.07535	0.8
136.40797	0.6
137.05939	2.4
139.03827	0.7
141.10252	0.6
143.11772	12.8
147.04440	0.6
147.06526	2.8
147.07996	0.9
153.77675	0.6
157.09686	7.5
164.07013	2.2
167.08554	0.9
171.11258	12.1
183.11559	0.7
189.12300	11.7
197.13208	0.8
225.12663	0.8
225.16014	3.8
242.18506	0.6
243.13850	2.6
270.18045	7.6
280.13651	0.6
285.12222	1.2
288.19131	3.9
298.17706	0.8
299.20712	1.2
327.20129	4.8
345.21243	3.1
364.30646	0.6
398.17371	0.7
440.28311	2.3
458.20215	0.6
458.23810	0.9
458.29630	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	458.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	18.4
55.05511	61.0
67.05492	37.1
69.03417	7.2
69.07059	24.8
79.05479	37.2
81.03396	35.6
81.07042	57.5
83.08597	40.1
85.02898	5.9
86.09684	4.7
91.05469	39.2
93.03394	5.5
93.07018	44.2
95.01293	21.4
95.04957	18.4
95.08582	29.4
97.06492	9.9
105.07016	23.5
107.04984	19.6
107.08609	17.1
109.06516	19.8
109.10145	18.7
111.08043	6.6
117.07008	22.2
119.08569	22.3
121.10134	6.9
123.08087	9.8
128.06233	8.7
129.06964	6.8
131.08595	25.0
133.06474	9.6
133.10130	6.9
134.99048	4.2
135.08066	9.3
137.09541	16.3
141.06993	6.4
143.08575	8.5
145.06400	5.7
145.10092	8.3
146.26831	4.1
147.08081	8.3
149.09648	6.1
157.06523	4.7
159.08022	9.0
161.05959	5.7
161.09631	7.4
163.07594	5.1
165.01712	4.4
165.12752	30.5
169.06488	7.0
171.08029	9.8
173.05923	10.2
177.08965	5.3
187.07597	20.9
189.05460	10.6
189.09099	19.5
197.05965	5.6
199.07535	8.9
201.05440	8.5
201.16524	5.1
203.06909	5.4
205.08592	5.1
213.09122	7.2
215.07010	23.5
229.15901	6.1
233.08040	7.8
243.06577	8.8
247.16968	8.6
261.07526	43.6
279.08627	47.1
297.09729	9.3
317.10147	11.2
335.11081	17.7
360.80176	4.8
367.05408	4.9
387.17819	42.1
405.19009	65.5
423.20114	100.0
441.21124	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	458.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06177	1.9
53.00294	3.6
53.03946	2.4
55.01856	18.1
55.05513	28.2
57.03421	3.0
59.60665	2.0
64.34061	2.2
67.05488	31.0
69.03407	9.5
69.07050	22.1
71.04987	3.5
79.05470	31.8
80.30033	2.0
81.03401	9.9
81.07038	64.3
81.34052	2.1
83.04961	5.7
83.08598	14.8
83.09048	2.0
85.02882	3.1
86.09671	1.9
89.32520	2.5
91.05461	43.9
93.07031	34.2
95.01315	18.9
95.04944	14.3
95.08588	55.6
97.02865	3.0
97.06525	9.2
105.07013	23.2
107.04926	16.4
107.08569	14.6
109.06509	26.7
109.10152	17.2
111.08105	3.5
116.53387	2.4
117.07012	15.9
119.04919	3.4
119.08553	37.1
121.06496	10.9
121.10110	8.4
123.08024	10.3
129.06992	12.3
131.04887	3.6
131.08553	20.2
133.06467	5.7
133.10094	10.7
135.08008	13.0
137.09583	32.9
141.01805	4.5
143.08545	5.1
145.06433	4.8
145.10126	12.8
147.08011	10.7
149.09613	12.5
151.11159	2.5
155.08524	2.5
157.06485	6.0
157.10123	3.7
159.04390	3.1
159.08029	12.1
161.09641	5.0
163.07474	3.5
163.11211	3.0
165.09059	4.3
165.12706	9.3
169.10078	4.5
173.06056	3.3
173.09592	4.3
175.03749	2.9
175.07567	4.6
177.05409	4.3
177.09132	10.7
183.11728	3.2
187.03954	4.7
187.14799	2.4
189.05490	2.9
189.09158	4.2
191.07059	3.6
197.09659	2.6
201.09143	2.9
201.16405	2.6
203.07042	4.9
205.08549	3.6
213.09184	3.8
215.07114	2.7
219.17418	4.8
229.15984	3.9
231.10066	3.0
241.08475	5.0
243.09918	2.5
247.16841	20.5
271.09677	3.5
289.10568	5.5
335.11194	4.2
339.15665	9.9
357.16797	18.6
359.18225	2.8
369.17001	12.1
387.17978	32.5
405.19019	100.0
423.20053	22.0
431.31860	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	457.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	69.6
57.06866	2.1
57.07068	38.1
62.17340	2.2
63.64937	2.2
64.40644	2.4
67.05497	35.9
69.07053	100.0
70.06584	3.5
71.08615	23.0
74.47343	2.2
74.96230	2.1
81.07034	65.5
83.08610	68.6
85.10172	10.3
88.07615	10.2
91.61817	2.2
95.08587	53.1
97.10147	72.6
102.09146	6.1
102.76127	2.2
109.10135	25.3
111.11701	30.7
123.11684	16.5
125.13249	6.1
125.89213	2.4
132.42667	2.9
137.13248	5.2
143.17406	2.4
200.20059	14.0
201.20351	4.8
280.76239	3.0
283.26190	13.6
284.26544	15.0
300.98840	2.6
332.80905	2.7
403.42828	15.0
457.34708	5.2
457.44308	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	73.0
57.07068	44.5
67.05495	60.3
69.07056	100.0
70.06574	2.7
70.38240	1.7
71.08614	26.6
79.05476	3.9
81.07040	75.6
83.08604	71.2
85.10160	12.7
87.77296	1.9
88.07635	2.6
93.07024	4.0
94.02847	1.6
95.08009	3.7
95.08590	78.6
96.08946	1.7
97.10152	77.7
97.98179	2.3
102.09177	3.7
109.10153	38.9
111.11709	35.1
123.11681	18.2
125.13264	14.7
137.13278	8.4
139.14809	2.2
149.65501	1.8
151.14818	2.0
200.20061	13.1
201.20340	11.2
283.26367	8.9
284.26645	12.7
390.14096	2.0
403.42908	19.0
421.44336	2.5
457.34909	4.5
457.44342	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29953	1.0
51.84969	0.9
52.60099	1.1
53.03926	8.3
54.20376	0.9
55.05478	1.5
57.03427	1.9
58.52273	1.0
61.02895	5.1
62.97561	1.1
66.88193	1.0
67.05459	1.1
69.03412	19.8
70.06569	1.7
71.04971	8.7
73.02892	6.0
74.30188	1.1
76.64697	1.2
79.05460	1.2
81.03391	19.0
81.07008	2.1
84.04472	1.4
85.02884	70.9
87.04414	1.7
91.05473	1.4
97.02863	47.7
99.04431	63.0
103.03912	82.6
109.02862	27.3
117.03355	1.2
121.06484	1.6
127.03882	100.0
137.05928	5.1
145.04927	39.2
147.04358	1.4
163.05983	25.4
169.04953	1.6
243.09966	1.9
271.08002	8.0
276.11514	1.5
289.09055	5.9
296.34317	1.4
307.10364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.352
Annotation	oscr#35
Peak:m/z	Relative Intensity
52.08739	2.3
55.05507	36.0
57.07061	15.0
64.32848	2.6
67.05481	19.3
67.92838	2.5
69.07055	83.7
71.08602	5.0
79.05467	25.6
81.07045	52.7
83.04973	12.4
83.08582	5.2
87.04440	13.3
91.05463	15.3
92.08663	10.1
93.07023	54.7
94.35529	3.4
95.08576	43.6
97.06522	30.5
97.10131	38.5
107.08562	14.8
109.10110	3.8
111.11710	15.1
119.08582	3.9
121.10116	82.6
131.08533	5.8
135.11639	4.0
139.11157	60.0
149.09596	3.8
149.13304	4.0
167.10663	6.7
167.97984	3.5
189.87497	3.3
203.12753	100.0
255.23222	3.3
402.24295	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.6
54.81714	1.3
55.05505	70.9
55.87224	1.4
57.07064	45.6
59.53424	1.4
60.62106	1.2
67.05491	47.0
69.07053	100.0
70.06584	3.3
71.08608	23.9
79.05461	6.7
81.07038	73.8
83.08600	72.7
85.10158	11.5
88.07620	10.2
92.09285	2.4
93.07058	2.3
95.08584	61.7
97.10144	78.1
99.11700	1.3
100.73107	1.3
102.09144	2.7
107.08615	1.5
109.10144	35.6
111.11704	29.0
123.10903	1.4
123.11647	11.5
125.13243	7.6
137.13237	2.9
139.14786	5.3
151.14815	3.4
157.82056	1.3
163.88892	1.4
165.16449	2.1
175.44588	1.6
185.99280	1.5
200.20107	14.0
201.20381	7.1
283.26254	13.3
284.26654	13.1
403.43106	15.1
457.34445	7.4
457.44275	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	457.112
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
50.29549	1.1
53.03941	10.9
57.03425	22.7
59.04992	7.3
59.65380	1.0
60.35422	1.1
60.82347	1.2
61.02916	1.8
62.44774	1.1
62.97752	1.1
65.03900	1.5
67.05522	1.3
69.03418	38.8
70.06586	8.7
71.04974	20.3
72.05318	1.3
72.08144	3.3
73.02900	9.6
73.06550	1.5
79.05468	2.1
79.88619	1.3
81.03401	40.3
81.07034	1.7
83.04962	2.0
85.02888	22.6
86.09678	1.6
87.04478	5.1
91.05485	3.1
93.07018	2.0
95.05009	1.1
97.02874	8.4
98.98441	31.3
99.04441	23.8
100.63162	1.5
103.03947	7.1
105.07008	2.1
111.22200	1.5
112.07536	1.3
112.11222	1.5
117.05463	13.2
119.04937	7.1
119.08588	1.8
120.05194	1.7
121.06535	1.9
127.03883	10.3
131.04958	2.1
131.07048	1.8
132.95802	1.3
136.07486	1.9
137.05959	9.1
138.06308	2.4
142.07747	1.3
143.08481	1.9
145.05014	1.8
145.07579	2.7
145.10109	1.4
147.04391	28.7
147.09161	4.9
148.04771	2.0
148.13339	1.5
157.07591	2.4
159.09195	7.8
163.07399	1.6
171.09145	2.3
172.08667	65.6
173.07080	7.1
175.08696	6.8
184.08670	5.5
185.10666	1.8
186.10207	2.7
190.09721	2.7
197.09363	1.9
198.06604	14.5
198.10274	5.2
199.12297	1.8
200.08202	9.2
204.10208	1.7
210.10240	2.2
214.09744	7.8
216.07661	51.1
216.09766	2.1
216.17325	1.4
218.09160	2.1
219.07642	2.5
224.11789	3.2
226.09688	1.6
229.08437	2.6
240.03030	1.8
243.08730	89.9
244.07199	2.2
250.95700	1.8
252.11266	1.9
277.14145	2.0
285.09903	2.1
297.09738	1.8
316.12875	2.2
323.11450	3.0
334.09335	2.4
341.12448	11.0
359.13458	40.5
377.14316	3.1
396.09457	10.4
397.07721	2.2
414.10471	9.1
421.08850	3.2
439.10065	100.0
456.12650	1.7
456.22278	2.1
457.11014	51.1
457.20853	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	456.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	19.1
57.07069	8.3
62.16005	1.6
67.05493	34.3
69.07053	20.0
70.59062	1.4
71.04983	2.6
71.08626	2.7
76.69081	1.4
79.05481	10.9
81.07040	41.4
83.08604	13.9
91.05472	6.0
93.07034	14.0
95.08588	100.0
97.06548	1.9
97.10156	9.1
105.07018	2.6
107.08580	10.1
109.10162	16.7
111.11658	1.6
119.08539	2.9
121.10132	11.3
123.08047	3.7
123.11691	7.8
135.11670	10.5
149.13234	6.3
151.11186	1.6
161.13254	2.0
192.80714	1.5
197.75697	1.5
224.21303	1.5
343.28384	26.7
343.32736	2.5
357.35068	3.6
361.34604	22.3
385.34598	7.2
403.35675	17.3
420.39172	2.4
421.36719	8.3
432.75055	1.8
472.34412	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68023	0.5
53.03929	0.9
55.05506	32.3
57.03432	1.0
57.07075	5.5
57.41131	0.7
59.04977	4.8
62.12793	0.6
66.98496	0.7
67.05495	14.7
69.07056	17.4
71.04610	0.9
71.04974	16.7
71.08601	1.4
72.46221	0.6
73.06539	11.1
74.57138	0.7
74.57595	0.5
74.61291	0.7
79.05474	18.8
81.07040	83.1
83.04983	1.3
83.08607	30.2
83.09099	1.3
85.06530	5.5
85.10188	0.8
91.05458	7.5
93.07033	6.4
95.08587	90.1
97.06519	1.5
97.10157	21.4
99.08065	2.6
105.07024	17.5
107.08585	23.9
109.10149	4.0
111.08086	0.7
111.11732	1.4
119.08566	5.6
121.10110	7.3
123.11665	0.9
125.09611	0.8
130.71523	0.6
135.11711	1.5
137.13237	39.1
137.94919	0.7
144.14749	0.6
147.11664	25.7
149.13171	0.7
153.52745	0.7
155.14316	4.9
159.05591	0.6
165.12694	5.4
169.34146	0.6
183.13797	2.8
201.14835	100.0
245.69914	0.7
278.83456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.4
53.03929	1.7
55.05507	57.7
57.03433	2.0
57.07069	27.1
65.03957	1.4
67.05492	60.5
67.05857	2.6
69.07053	81.4
71.04981	7.2
71.08608	12.9
71.40052	1.1
79.05476	15.7
81.07037	88.4
83.08604	64.3
85.06534	1.6
85.10169	6.3
91.05443	1.8
93.07022	14.8
95.08585	100.0
97.10146	48.6
107.08585	13.2
109.10139	54.7
111.11689	16.0
121.10130	8.4
123.11685	19.4
125.13246	2.6
135.11676	12.0
137.13220	10.1
146.02547	1.2
149.13278	7.4
151.14839	2.2
153.16298	1.3
163.14729	2.6
179.17914	1.4
233.22621	1.2
282.24896	1.6
401.41351	17.0
419.42365	36.4
456.44025	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33026	0.9
53.91573	0.7
53.97654	0.8
57.03431	1.6
57.10402	0.9
69.03406	1.9
69.07060	1.2
70.06564	4.3
71.04954	1.0
72.08127	1.2
79.05441	1.4
80.56234	1.0
81.03397	6.2
85.02895	6.2
91.05463	5.4
92.08716	1.1
92.63065	1.0
93.07014	1.4
95.08600	1.3
97.02831	1.5
99.04495	1.4
107.04879	1.3
109.06558	1.0
109.10187	1.2
116.98615	1.4
119.08559	6.1
121.10140	1.0
127.03905	1.9
136.07614	1.6
137.05913	4.6
137.09592	4.3
139.03787	1.6
147.04396	2.1
152.07048	1.1
159.04182	6.1
165.09082	4.7
166.09372	1.7
179.25987	1.1
185.04172	1.2
201.03517	1.4
204.07562	1.3
239.08820	1.4
257.13831	6.2
258.14233	2.4
293.09784	2.4
337.12527	2.4
351.10400	4.6
365.12021	5.3
366.12848	13.6
367.13483	7.6
455.15143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
54.27573	1.3
54.70675	1.2
54.81776	1.4
55.01871	2.6
55.05502	21.3
56.96562	1.6
57.03435	10.8
57.07062	6.5
59.04982	3.6
61.02906	7.3
67.05492	23.8
69.03425	20.8
69.07066	18.9
70.97531	1.4
71.04961	14.2
72.08088	1.5
79.05465	26.4
81.03406	15.0
81.07037	46.9
83.04979	18.3
83.08606	9.0
85.02891	43.9
85.06530	21.6
91.05449	25.3
93.07027	60.9
95.04932	8.3
95.08582	48.2
97.02866	10.1
97.06499	7.8
97.10146	2.6
100.11203	3.6
104.73752	1.4
105.06362	2.4
105.07016	41.9
107.04941	6.9
107.08585	56.3
109.02870	15.9
109.06495	15.4
109.10158	24.1
111.04401	1.5
111.08065	10.4
113.09625	19.6
116.98548	1.7
117.06987	11.1
119.08560	56.5
121.06501	7.4
121.10122	38.9
121.63767	1.4
123.08070	17.2
123.11687	8.7
125.09612	3.4
127.03859	3.5
127.05521	1.4
128.06194	2.2
129.06973	7.7
131.08548	29.8
133.10106	51.8
135.08060	22.1
135.11679	25.6
137.05994	1.6
137.09601	50.5
139.11147	3.1
142.07787	2.1
143.08553	11.9
144.09261	2.1
145.06520	2.7
145.10120	30.8
147.08051	11.0
147.11652	18.4
149.09589	10.7
149.13228	3.2
153.09158	2.9
155.08511	2.5
156.09294	2.9
157.10156	10.7
158.10854	1.6
159.08041	6.0
159.11650	30.7
161.09535	10.7
161.13235	6.0
162.10269	1.6
163.11134	20.0
163.14778	2.7
165.09073	11.9
169.10068	3.6
171.11656	7.1
173.09648	2.8
173.13231	36.4
175.11174	9.7
175.14789	18.3
177.12755	6.8
182.15367	1.5
183.11603	6.8
187.11220	3.6
187.14786	6.8
189.12752	3.2
189.16318	2.4
191.14268	7.2
193.15836	8.2
197.13254	2.9
199.14774	18.0
201.12723	9.5
203.14299	1.8
215.14238	3.5
215.17915	7.9
217.15813	20.1
229.19527	2.5
233.15265	2.4
233.18935	1.7
239.17957	3.3
257.18954	30.9
263.20062	3.2
265.21603	2.4
275.20010	100.0
293.21042	41.4
294.21567	1.8
374.16095	2.1
399.35767	1.5
455.16284	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	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98832	0.5
54.81721	0.6
61.63674	0.4
75.10146	0.5
89.94790	0.5
101.12407	0.5
112.89561	0.6
133.32352	0.5
316.40778	0.7
413.65857	0.6
417.37692	0.5
455.11545	100.0
460.61691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81661	2.7
55.09444	2.7
56.03757	2.5
58.24923	2.6
60.69220	2.7
68.55280	2.9
70.06573	3.7
72.08150	3.2
78.89626	3.0
85.02852	4.1
86.87781	2.8
92.37946	3.2
95.02879	2.8
98.06107	3.0
119.04867	3.0
128.96596	2.9
130.24736	3.1
130.50987	3.0
147.04420	6.8
166.76338	3.3
239.08951	3.7
257.83838	2.9
294.90771	3.2
345.07697	3.3
454.23419	3.7
455.11481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.7
56.96581	2.9
57.03435	4.7
61.02910	3.4
67.05508	10.4
69.03410	5.2
69.07053	3.9
70.06566	10.5
72.08155	5.6
78.09852	2.4
79.05492	5.1
81.03397	38.3
81.07062	5.9
82.03722	4.5
85.02886	25.6
86.09686	3.8
91.05472	25.7
92.05815	3.5
93.07020	14.7
95.04908	4.2
95.08591	12.3
96.76375	2.5
97.02870	6.0
99.04417	5.1
103.03943	4.3
107.08658	2.9
109.10125	9.9
111.04414	2.7
119.08563	41.2
120.08102	3.2
120.08872	9.9
121.06518	3.8
121.10110	3.8
127.03899	6.4
137.05952	5.3
137.09624	22.9
138.09941	4.3
145.04999	3.1
147.04437	3.6
147.08046	4.6
163.07570	2.8
165.09081	31.4
166.09430	4.0
169.21315	3.1
183.10103	4.5
206.01028	3.2
239.08798	4.2
239.12805	4.2
257.13806	39.1
258.14209	23.8
275.16028	5.3
455.13037	100.0
455.22531	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	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05495	5.9
55.70822	0.9
57.03437	9.4
57.07068	42.9
62.06077	24.5
67.05488	8.6
69.07053	6.8
71.08617	31.4
81.07040	10.1
83.08609	7.7
85.10172	14.4
91.05466	2.2
92.09404	1.1
95.08582	12.7
97.10140	4.8
98.98450	13.3
109.10136	6.9
119.04941	2.2
123.04382	1.5
124.01589	1.4
155.00983	7.7
198.05374	1.5
214.83299	0.9
216.06212	1.2
239.23639	1.3
282.27850	16.3
313.27313	100.0
393.23920	7.2
417.99884	1.0
436.28128	6.3
454.29202	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	454.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95847	0.6
53.03934	1.4
55.01861	1.6
55.05500	1.5
56.20116	0.6
57.03430	10.9
61.02909	7.7
67.05485	13.9
69.03407	3.6
69.07049	4.0
70.06566	1.7
71.04967	5.1
72.08099	0.9
73.02905	1.3
79.05465	5.9
81.03397	71.5
81.07039	4.8
83.04955	4.3
85.02889	22.0
86.09712	1.3
91.03931	1.6
91.05457	41.9
92.08705	0.9
93.07020	18.5
95.04922	3.8
95.08577	17.4
97.02876	7.4
98.06017	0.8
99.04414	3.6
103.03894	1.3
105.07008	3.3
107.04897	4.3
107.08570	1.5
108.04424	0.8
109.02827	0.9
109.06538	1.0
109.10146	18.1
111.08092	0.9
117.06989	1.8
119.08555	79.0
121.06483	6.7
121.10114	3.6
123.08021	1.4
127.03853	5.6
129.07001	1.7
131.07007	0.9
131.08531	1.2
131.91158	0.8
137.05945	3.1
137.09595	53.8
139.03886	3.3
142.31828	0.8
145.04939	1.6
145.06433	1.8
147.08041	7.5
159.08020	3.5
164.07007	1.0
165.09073	65.4
173.05963	1.5
183.10133	12.3
184.07364	1.2
201.11299	1.0
214.08604	1.9
239.12733	14.3
256.13193	5.0
257.13779	100.0
274.14365	8.4
401.18015	4.4
419.18948	1.1
454.19318	1.1
459.18207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01859	3.2
55.05499	6.5
57.03423	7.8
59.04972	0.6
61.02917	5.4
61.89296	0.5
67.05141	1.0
67.05491	24.6
69.03075	0.6
69.03418	14.5
69.07046	3.1
71.04974	8.3
73.02895	2.4
79.05476	3.3
81.03387	2.7
81.07050	4.9
83.04950	0.9
83.08596	1.0
85.02885	11.9
85.30650	0.5
91.03933	2.6
91.05462	27.1
93.07023	27.5
95.04945	3.2
95.08585	93.1
97.02863	2.8
97.06486	0.9
99.04430	5.3
100.11237	4.4
101.05979	1.7
103.03925	1.2
105.07029	3.7
106.17321	0.6
107.04962	1.1
107.08598	0.9
109.02874	0.7
109.06446	1.0
109.10140	37.3
111.04443	0.6
111.08086	0.8
113.05981	4.7
113.09628	0.6
117.07036	0.7
119.04842	0.6
119.08559	49.2
120.71646	0.5
123.08083	1.3
124.07555	0.5
127.03877	2.9
129.07007	2.0
137.06026	2.2
137.09598	79.0
138.92470	0.5
139.11166	0.4
147.08043	7.9
155.10631	12.9
155.16879	0.5
165.09065	19.4
169.60347	0.5
174.09097	1.3
182.15312	0.7
183.10088	6.3
188.10693	0.6
193.34370	0.5
200.10573	0.8
201.11185	6.1
209.16359	0.7
210.14914	1.0
215.09383	1.0
216.13850	0.7
239.12737	51.9
244.13278	9.0
246.14827	0.8
257.13779	100.0
264.61804	0.6
274.14362	3.7
275.15009	0.9
292.15417	6.3
374.57370	0.6
419.19150	5.8
453.34464	1.2
454.24973	0.9
454.34497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01858	4.0
55.05504	6.3
57.03428	6.9
59.04965	0.6
61.02918	6.6
64.33881	0.6
67.05139	1.1
67.05489	22.4
69.03410	15.0
69.07039	3.3
70.06564	2.7
70.38121	0.6
71.04974	8.2
72.08147	1.2
73.02891	3.4
76.67791	0.7
79.05466	4.7
81.03410	2.6
81.07040	6.5
83.04972	2.9
83.08627	0.9
84.08130	1.1
85.02895	14.2
86.03186	0.8
91.03927	1.6
91.04967	1.2
91.05467	26.5
93.07020	28.4
95.04982	4.9
95.08584	90.1
97.02853	5.5
97.06499	1.2
99.04456	4.8
100.11211	3.0
101.02386	0.7
101.06001	1.5
103.03927	3.8
103.05450	0.8
105.07001	3.4
107.04948	6.6
107.08581	2.5
108.05289	1.5
108.08084	3.8
108.22255	0.6
109.02842	1.1
109.06503	1.6
109.10142	35.4
111.04399	0.6
111.08057	1.3
113.05982	4.7
117.06994	1.2
119.08557	50.5
121.06438	0.6
122.06033	0.8
123.08040	1.1
127.03911	6.9
129.06993	0.7
136.07573	1.0
137.02335	1.1
137.05995	7.6
137.09593	75.0
138.06287	1.2
144.16811	0.8
145.04980	1.2
147.04396	1.2
147.08015	9.8
155.10649	12.9
163.05962	0.8
165.09082	20.0
165.10475	0.8
180.32588	0.7
183.10118	6.2
201.11179	6.4
231.60365	0.6
239.12737	58.9
257.13782	100.0
289.43430	0.8
368.43555	0.9
410.21533	2.9
419.18991	1.5
454.24014	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	454.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36272	1.2
53.03942	5.8
55.01871	3.1
55.05505	7.2
57.03423	13.8
59.06115	9.2
60.04512	8.7
60.05635	3.6
61.02916	8.5
61.40610	1.3
63.67549	1.3
65.95554	1.8
67.05494	25.1
69.03413	11.4
69.07063	7.7
70.06573	2.0
71.04977	29.2
73.02895	6.5
75.04463	1.9
76.16828	1.6
79.05483	9.1
81.03403	100.0
81.07031	7.0
82.24992	1.4
83.04967	16.0
84.08132	1.8
85.02893	80.3
85.06548	2.0
85.89242	1.3
87.04456	2.0
91.03941	2.2
91.05473	53.6
93.07036	25.3
95.04948	11.0
95.08582	23.3
97.02892	19.8
97.06541	2.5
99.04443	21.1
103.03915	23.3
103.05520	1.3
105.07029	7.9
107.04955	11.3
107.08585	9.7
109.02888	7.5
109.06485	2.9
109.10149	25.9
111.04410	6.8
111.08069	2.1
113.05986	14.5
117.07027	2.5
119.04987	2.1
119.08566	77.7
121.06506	14.4
121.10145	3.5
123.08077	6.4
127.03899	34.6
129.05466	16.8
131.06947	4.4
133.10057	1.6
135.08031	5.9
137.05948	2.5
137.09598	58.9
138.09962	1.4
141.05510	1.4
145.04933	12.4
147.04477	2.2
147.06537	5.8
147.08038	13.3
149.09583	2.5
155.10667	6.6
163.06036	8.0
163.07533	6.2
165.09087	66.4
181.08636	3.0
183.10156	12.5
191.10590	2.3
195.10031	1.8
209.11630	3.7
211.31409	1.5
221.11731	2.7
239.12733	26.9
245.22275	1.6
257.13806	66.4
271.08112	1.8
281.13766	1.6
454.13422	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	453.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	43.7
57.07062	15.9
61.03358	3.7
64.33302	3.6
67.05490	54.9
69.07065	33.6
71.04977	6.8
71.08597	5.7
79.05459	5.0
81.07041	100.0
83.08601	38.3
89.06022	20.8
92.08692	5.6
93.07040	8.2
95.08587	65.4
97.10152	15.6
98.62194	3.7
107.08582	5.6
109.10150	49.6
121.84934	3.9
123.11690	32.9
123.45665	3.8
133.10066	4.3
135.04025	4.1
137.13220	4.5
239.14835	4.7
417.40912	16.2
435.41992	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59578	0.5
53.03934	0.6
55.01855	3.6
55.05502	6.9
57.03177	0.7
57.03429	12.2
61.02912	7.6
64.87065	0.5
67.05149	0.9
67.05492	21.8
67.69376	0.5
68.05066	0.5
69.03421	5.3
69.07046	3.1
70.06555	1.0
71.04977	3.4
72.08135	2.3
73.02886	2.9
73.06528	1.2
75.60592	0.6
79.05474	7.8
81.03400	93.8
81.07032	4.6
83.04968	5.6
84.08112	1.1
85.02886	25.3
86.09661	0.6
87.04442	1.0
90.77967	0.6
91.03923	3.1
91.05461	67.2
92.08717	1.1
93.07024	26.4
95.04938	3.9
95.08586	19.6
96.04436	1.0
97.02854	6.5
97.06510	1.1
98.06029	3.4
99.04414	0.8
103.03951	1.6
103.05464	1.3
105.07012	5.6
107.04932	8.8
107.08573	0.9
108.04460	8.4
109.02799	0.7
109.06520	1.0
109.09385	1.0
109.10138	20.9
110.09704	0.8
111.08023	0.8
115.05453	1.1
117.06995	9.2
119.08560	98.9
121.06490	9.1
121.10072	1.3
122.05967	1.0
123.08001	2.5
125.46230	0.7
127.03915	1.0
128.10666	0.8
129.06947	3.9
131.04878	2.6
131.08562	4.0
133.06383	0.7
135.08009	0.7
137.09593	59.9
141.06923	2.4
144.05687	1.1
145.06448	14.1
147.04361	0.9
147.08025	12.3
153.06990	3.5
155.05971	0.6
157.06473	6.2
158.07242	4.1
159.08022	14.6
165.09077	66.1
169.07573	0.9
171.08011	4.3
172.75468	0.7
173.05954	11.3
180.10146	2.7
183.10138	15.3
184.07466	1.0
185.05975	4.1
186.09056	2.5
187.07501	0.7
194.11739	2.9
201.11191	3.0
202.08591	6.2
214.08600	19.6
214.79498	0.6
239.12715	14.6
256.13290	23.3
257.13788	100.0
274.14331	72.5
275.14709	0.9
360.16827	1.2
401.17929	1.2
405.19708	0.7
406.17496	1.3
419.19003	1.4
454.19507	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.4
56.12108	0.7
62.37140	0.7
67.05491	1.7
68.95837	0.7
69.03416	1.0
69.07065	7.4
70.06572	1.0
79.05473	3.2
81.03357	1.0
81.07027	5.8
82.06581	0.9
83.04953	1.0
83.08605	7.7
84.04546	0.8
85.02885	4.3
87.44593	0.7
91.05465	10.8
93.07028	9.0
95.08591	4.3
97.02908	1.0
98.09606	1.3
99.04419	1.0
100.07626	1.8
100.11235	38.6
100.11899	1.4
103.03945	1.1
105.07014	39.2
107.07972	1.0
107.08591	16.2
108.08125	1.2
109.06470	1.2
109.10116	1.0
110.06010	1.2
111.04436	3.1
117.07008	2.0
119.08561	43.0
121.06482	1.3
121.10128	11.7
123.11691	1.9
127.08710	1.2
128.07047	3.3
130.04965	3.7
131.08562	14.1
133.10103	11.9
135.08025	3.8
135.11655	1.8
137.05960	1.4
139.08623	1.7
141.02315	0.8
143.08488	0.8
145.10161	5.8
147.11671	100.0
149.13196	2.7
158.10953	1.4
161.13228	32.1
163.14828	4.5
165.12692	12.4
173.13200	12.6
177.88429	0.7
179.14305	5.8
181.54646	0.8
182.15358	13.7
183.93365	0.8
191.14291	18.4
200.43782	0.9
209.15273	10.4
209.16685	5.6
210.14857	10.1
226.19127	3.8
241.92044	0.9
254.49417	0.9
262.18011	1.1
268.05096	0.8
280.19080	3.9
283.45599	0.8
324.21689	1.0
326.28003	1.9
336.22592	0.9
435.33197	6.7
453.26147	5.8
453.34183	31.1
456.81885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90310	12.1
55.05502	18.4
67.05492	19.3
69.07056	29.5
76.87815	14.0
81.07011	23.0
86.01383	14.9
90.54565	12.4
95.06952	12.6
95.08582	37.6
107.08578	14.6
111.00089	12.7
138.11934	13.7
160.78381	14.9
181.83719	15.6
242.52145	13.4
295.23062	18.1
369.80267	16.2
453.22461	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	452.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54246	0.5
55.01868	1.1
55.05506	7.9
57.03430	20.1
57.07064	1.1
59.46056	0.5
61.02925	6.2
65.26131	0.5
67.05495	34.4
69.03420	1.4
69.07055	11.5
71.01343	3.6
71.04977	3.5
73.02911	1.4
75.24812	0.6
79.05476	32.7
80.63846	0.5
81.03394	5.8
81.07043	13.2
83.04971	8.7
83.08599	3.4
85.02900	5.1
85.06532	2.8
86.09689	4.7
91.03945	3.0
91.05463	9.6
93.07024	41.6
95.04950	3.0
95.08597	5.2
95.26478	0.5
97.02863	1.4
97.06506	11.6
97.10152	10.7
97.76566	0.6
99.04443	0.9
99.08076	2.3
103.54236	0.6
105.07015	3.3
107.04935	1.0
107.08576	25.4
109.10143	4.5
111.08054	1.0
117.06990	3.6
119.08514	4.3
121.06470	1.2
121.10123	5.8
124.99997	2.4
125.09573	1.2
133.10118	1.4
135.08044	0.8
135.11674	53.3
137.05998	1.0
137.09633	1.2
145.10089	7.6
147.04379	0.7
153.12785	0.6
163.11150	7.2
165.18231	0.7
181.12180	9.5
184.07343	7.8
199.13187	0.7
225.63916	0.7
245.35776	0.6
255.15866	100.0
417.21106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65948	0.5
55.57658	0.5
57.03415	3.3
61.02910	1.4
62.06068	3.9
63.65197	0.7
64.33404	0.6
68.24165	0.6
69.03408	1.6
69.60915	0.7
75.04440	1.1
81.03406	1.4
83.95025	0.7
85.02894	7.1
91.05452	1.3
95.04970	0.8
96.04510	0.8
97.02869	1.6
103.05428	2.8
108.91878	0.6
119.04915	4.4
122.03571	1.2
127.03904	0.9
130.06482	1.2
131.04906	9.5
136.25243	0.6
137.05957	100.0
146.06053	0.8
147.04373	1.3
151.07549	1.5
163.07509	15.3
165.05467	0.8
175.07483	1.0
179.07111	1.4
181.08556	1.1
201.03375	0.6
204.32790	0.7
211.09627	1.6
224.66107	0.8
237.11247	6.6
255.12186	8.7
272.10309	2.9
273.13281	10.2
290.11246	3.2
429.98575	0.9
478.49734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45183	0.1
54.40567	0.1
55.05503	0.7
56.05017	0.3
57.03424	1.1
58.06572	0.2
58.70298	0.1
60.08151	9.1
61.02892	0.2
67.05494	2.0
69.07056	1.0
70.06609	0.2
71.04987	0.2
71.07355	3.4
72.34482	0.1
79.05480	1.9
81.03399	0.2
81.07039	2.2
83.04965	0.7
83.08624	0.3
83.92721	0.2
84.06482	0.1
85.02901	0.6
85.06531	0.2
86.09690	49.0
87.10029	0.2
91.05447	0.9
92.09375	0.3
93.07016	3.0
95.04962	0.2
95.08531	0.5
97.02872	0.3
97.06494	0.6
97.10165	0.3
98.98446	3.3
104.10726	4.0
107.04978	0.2
107.08586	1.5
109.10121	0.2
119.08547	0.2
121.06501	0.2
121.10093	0.4
124.99979	36.4
127.03894	0.2
133.10135	0.3
135.11674	3.0
137.05971	0.6
143.01010	0.7
145.10080	0.3
148.63855	0.2
149.13194	0.3
163.11183	0.3
181.12216	0.4
184.07307	100.0
185.07603	0.3
196.29709	0.2
255.15848	4.8
434.22879	0.8
452.24069	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	451.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	50.9
57.03435	30.4
57.07073	19.2
66.91700	1.8
67.05494	35.1
69.07060	54.3
70.86926	1.6
71.04975	2.2
71.08621	8.3
71.10722	1.8
79.05467	13.2
81.07043	35.6
81.58484	1.7
83.08611	38.6
90.85786	1.8
91.05495	2.8
93.07032	16.2
95.08595	32.2
97.06510	3.8
97.10162	16.3
105.07052	2.1
107.08575	7.9
109.10148	10.7
111.11721	6.6
113.00002	90.7
121.10134	12.4
123.11671	2.2
135.11694	9.6
149.13260	4.1
169.02579	41.5
187.03696	2.1
339.24808	4.2
339.28909	100.0
353.30371	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41510	0.2
53.03923	0.5
53.11889	0.2
55.01873	2.2
55.05489	1.2
57.03431	2.1
61.02895	1.2
67.01842	3.3
67.05479	1.3
68.99777	0.6
69.03416	5.6
69.07078	0.4
70.06567	0.4
71.04967	1.2
72.04485	0.6
73.02891	1.0
79.05508	0.5
81.03400	3.3
81.07040	0.7
83.08623	0.7
84.04478	2.6
85.02889	20.7
86.09679	0.3
87.04433	0.4
87.78275	0.3
91.03939	0.3
91.05456	2.7
93.06980	0.5
95.04931	1.4
95.12998	0.3
97.02861	5.1
99.04413	1.3
100.11227	2.3
101.11542	0.3
103.03889	0.5
103.05457	0.3
105.06969	0.5
107.04968	2.1
107.08601	0.4
109.02847	2.0
109.06462	0.4
109.10120	0.4
115.03912	0.3
119.04926	8.0
121.06468	1.7
121.10106	0.5
123.04409	3.8
127.03896	5.2
129.01781	0.4
131.04929	0.7
131.08545	0.3
133.10139	0.4
137.05968	3.4
137.94443	0.3
145.04956	1.9
147.04387	40.2
148.04758	0.4
149.85591	0.3
151.03897	0.6
153.01804	100.0
154.12227	1.5
161.05989	0.7
165.09056	0.5
165.28479	0.3
168.45215	0.4
171.02846	22.8
177.14449	0.3
179.03343	1.9
189.05370	1.2
195.02913	0.5
211.13222	0.4
231.06430	0.5
255.06412	0.4
273.07513	99.9
274.07770	0.5
281.18466	0.5
315.08612	0.6
387.55511	0.3
435.12949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2534
Annotation	Dictamnoside D
Peak:m/z	Relative Intensity
53.03930	6.8
55.01852	2.4
55.05503	23.3
57.03423	14.3
61.02907	6.8
67.05489	35.4
69.03419	12.6
69.07056	21.7
71.04967	13.0
73.02881	6.4
79.05475	21.9
79.55830	1.4
81.03404	14.4
81.07038	75.2
83.04948	7.2
83.08598	15.0
85.02892	25.2
85.06527	8.7
91.03851	1.9
91.05453	21.4
93.07035	16.4
95.04925	3.8
95.08583	88.9
97.02882	12.0
97.06512	18.7
97.10162	3.0
99.04421	17.2
99.08080	3.6
103.03912	7.9
105.07008	24.4
107.04929	10.9
107.08566	9.0
109.02875	14.1
109.10134	7.8
111.08064	3.6
119.08547	31.5
121.06543	2.4
121.10127	2.2
122.05996	3.6
123.07998	2.0
127.03902	33.8
131.08456	1.8
133.10121	16.8
135.04430	2.1
135.05409	2.3
135.11684	9.8
136.07576	2.0
137.05952	27.7
137.13237	7.3
145.04855	4.8
155.22260	1.5
161.05942	2.0
161.13263	34.5
164.07068	2.5
179.14299	19.1
184.07291	2.1
184.93431	2.1
232.23805	2.0
241.13324	3.4
253.17986	3.6
271.18994	100.0
362.18100	1.9
427.03183	2.0
433.24075	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	451.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.1
53.03930	0.8
54.35138	0.9
55.01849	0.8
55.05492	1.1
57.03419	9.1
58.39456	0.8
58.67920	0.8
60.04501	0.9
61.02910	4.1
61.95186	0.8
67.05486	4.3
69.03414	23.1
70.06562	1.6
71.04971	4.5
72.08126	4.5
73.02904	1.9
77.43765	0.9
77.77003	1.1
79.05450	4.4
81.03387	8.4
81.07038	6.6
83.04961	1.0
84.04531	1.6
84.08102	1.3
85.02885	86.8
87.04452	5.7
91.05455	1.9
92.09335	0.9
94.06476	1.3
95.04948	4.6
96.04415	1.1
97.02863	42.4
97.06490	1.7
98.97575	1.5
99.04426	4.1
103.03925	5.5
105.06993	2.1
107.08581	1.6
108.08096	11.0
109.02863	14.5
109.06498	1.8
109.10108	0.9
110.05996	2.0
112.07512	1.2
115.03883	3.9
116.98584	2.3
119.08567	1.1
120.08089	4.0
122.06021	7.2
125.05961	11.9
126.05478	8.7
126.09132	5.2
127.03870	17.0
127.04694	1.3
128.98615	2.1
133.04854	1.8
136.07539	19.2
136.08534	1.6
137.05960	6.4
138.06326	1.4
140.07031	51.8
140.08109	1.9
144.74530	1.1
145.04922	17.2
147.04433	1.3
150.09158	4.2
152.07053	18.1
154.08578	7.0
157.10149	1.4
163.05980	10.1
163.07205	1.0
164.07042	30.0
171.11520	1.2
178.08582	24.4
182.08080	100.0
206.08084	45.4
206.10092	1.4
218.08070	4.0
235.45728	1.0
236.09138	2.0
237.02811	5.0
248.09032	10.2
266.10120	1.7
284.11221	4.9
302.12268	20.2
313.07025	1.8
390.08847	5.4
447.85120	1.0
451.15610	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91986	0.4
52.56626	0.3
52.96950	0.4
53.03943	0.8
55.01836	0.5
55.05502	0.8
56.96530	0.7
57.03425	0.6
61.02912	0.5
67.05483	1.1
69.03435	4.4
69.05622	0.4
69.07072	0.6
70.06587	0.6
71.04966	2.5
73.02884	0.7
79.05473	1.0
81.03409	5.5
81.07025	1.0
83.04953	0.5
85.02899	9.4
91.05453	3.0
92.05729	0.5
93.07020	0.7
94.04163	3.0
95.04995	0.7
97.02884	4.1
97.06498	0.6
98.97607	0.8
99.04440	7.5
103.03935	5.9
103.05469	0.8
105.07033	1.0
107.04909	0.9
107.08622	0.6
108.04459	0.7
109.02866	5.3
109.06494	0.9
119.04961	1.7
119.08515	0.6
121.06493	0.7
121.10109	0.5
122.03629	11.6
123.04411	0.5
123.26599	0.5
127.03897	11.6
131.04919	0.5
133.10094	0.7
137.05965	100.0
145.02785	1.0
145.04947	2.7
147.04382	5.0
149.05928	0.5
149.09708	0.5
151.03876	1.8
153.06956	0.7
154.07744	0.5
161.05972	4.2
163.06044	0.6
163.07478	0.6
165.06984	5.7
169.06654	0.5
175.07535	0.6
177.05437	1.8
177.06995	0.5
179.08560	2.2
181.06485	2.0
182.07207	2.7
183.08032	0.7
184.05038	0.6
187.05978	0.6
193.06474	3.3
195.08017	0.6
196.08847	0.7
199.07533	0.7
205.06560	0.7
207.08215	0.7
209.05946	0.8
210.06746	3.1
211.07442	0.9
221.05937	5.4
224.08301	2.7
225.09106	4.6
227.06847	0.5
235.07524	0.6
237.09123	0.6
252.07835	0.7
253.08546	3.7
255.06380	0.7
265.08487	0.7
267.10135	4.9
270.08786	0.6
275.17456	0.7
277.08636	1.0
285.11188	12.8
297.11038	0.8
309.11038	0.7
361.14233	0.5
372.11322	0.5
451.19376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01859	0.7
56.07620	0.1
57.03427	0.6
61.02890	0.1
65.03925	0.3
66.04697	0.2
67.05482	0.7
69.03410	0.9
70.06558	0.2
71.04963	1.0
72.08142	0.3
73.02885	0.1
79.05470	1.2
81.03400	0.6
81.07039	1.1
85.02885	1.8
85.06512	0.3
89.03877	0.2
91.05458	2.4
92.08665	0.2
93.07026	0.2
94.04161	4.1
95.04934	1.0
97.02855	0.8
99.04414	0.8
103.03929	0.3
103.05444	0.9
105.07010	1.2
107.04946	2.0
109.02863	0.7
109.06503	1.4
109.10133	0.2
111.04433	0.2
115.05431	0.3
117.03370	0.2
119.04935	1.0
121.06526	1.2
121.10136	0.2
122.03626	10.7
123.04407	0.6
125.05981	0.4
127.03907	1.0
127.11167	0.8
129.06976	0.2
131.04881	1.0
133.02789	0.2
133.06471	0.7
133.10133	0.2
135.04359	0.7
135.08119	0.2
137.05959	100.0
138.06334	0.7
141.06943	0.2
144.05615	0.2
145.02864	0.2
145.04951	0.2
145.06485	0.2
146.03627	0.8
147.04379	0.8
149.05943	0.9
150.06738	0.3
151.03896	1.6
151.07532	0.9
152.06221	0.3
153.01828	0.3
153.05550	0.2
153.06964	0.3
157.07640	0.3
161.05939	2.4
163.03860	0.6
163.07515	0.2
165.06972	2.5
166.07753	0.3
167.07066	0.2
167.08527	0.3
168.05675	0.6
169.06439	0.3
169.10072	0.2
173.05881	0.2
177.06953	0.2
178.07745	0.8
179.07159	0.2
179.08456	1.3
181.06491	1.4
182.07233	1.6
183.07970	0.7
187.07486	0.2
189.07024	0.3
189.09041	0.1
193.06461	0.8
194.07245	0.9
194.08847	0.2
195.08031	1.0
196.08762	0.2
197.09608	1.0
199.07516	0.6
205.06471	1.3
206.07217	0.3
207.04500	0.2
207.08058	0.9
209.06042	0.3
209.09592	0.6
210.06696	1.7
211.07535	1.6
212.08292	0.2
217.15785	0.2
219.08044	0.3
221.05930	1.4
222.06712	1.3
223.07458	0.8
224.08308	0.7
225.09065	2.5
227.07065	0.7
233.06029	0.8
234.06685	1.5
235.07521	0.7
237.09126	1.5
238.06258	0.3
239.07001	0.3
239.10657	0.2
241.10283	0.2
242.09178	0.2
249.08945	1.2
250.06284	0.4
251.06915	0.7
252.47044	0.2
253.08507	1.0
253.14450	0.2
257.09515	0.2
259.09576	1.6
262.06256	0.3
265.08521	2.0
267.10086	0.7
269.07684	0.3
269.09811	0.3
271.09686	0.9
277.08575	1.7
282.08533	0.2
283.09445	1.2
285.11301	3.6
289.07108	0.6
295.09903	0.2
297.11462	1.3
303.10437	0.2
309.11169	0.6
329.11658	0.6
331.09772	0.2
343.10001	0.2
346.97012	0.2
361.14316	1.0
389.13760	0.8
401.13736	0.7
421.16428	2.1
433.16348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1236
Annotation	Flavanomarein
Peak:m/z	Relative Intensity
53.03937	0.4
55.01847	0.4
55.05500	0.4
56.04991	0.3
57.03419	0.4
59.04995	0.3
61.02916	0.7
62.06078	0.4
67.01847	2.9
67.05474	1.4
68.99773	1.7
69.03417	4.0
69.07046	0.7
69.45175	0.3
70.06580	3.8
71.04959	1.3
72.08140	0.3
73.02884	0.6
79.05459	1.8
81.03399	2.2
81.07030	1.2
83.01364	0.3
83.04964	0.3
85.02892	6.9
86.09679	1.2
89.03899	2.8
91.05452	1.8
93.07015	1.7
95.04952	0.8
95.08578	0.7
97.02879	3.6
97.06487	0.6
99.04435	2.5
103.03903	1.7
105.07029	1.3
105.09533	0.3
107.04939	2.6
107.08569	1.2
108.08127	0.3
108.08873	0.4
109.02852	2.4
109.06480	0.4
109.10139	0.7
111.00806	2.7
111.04427	1.8
117.03355	5.2
117.06981	0.4
119.08537	1.4
120.08089	0.6
121.06501	0.4
121.10110	0.7
122.06028	0.4
123.04424	4.5
123.08028	0.7
127.03907	5.5
131.04871	0.4
135.03371	0.5
135.04401	15.8
135.08025	0.4
136.07535	0.5
136.60991	0.3
137.05962	4.1
137.09607	0.4
139.03888	2.1
145.02831	13.4
145.04930	1.2
147.04376	0.7
147.11705	0.7
149.09584	0.4
151.03888	1.5
153.01810	100.0
157.10060	0.4
159.04388	1.5
159.11742	0.4
161.05920	1.2
161.09641	0.4
163.03876	67.9
165.06996	0.4
171.02856	11.5
179.03366	6.8
187.03923	2.1
195.02974	0.5
205.04991	0.7
211.97375	0.3
217.15881	0.5
229.15399	0.4
235.17006	1.1
241.13290	0.3
243.11279	1.8
247.06053	0.7
253.04915	0.6
271.05945	1.6
271.14328	2.2
284.28217	0.4
285.12320	0.4
287.05472	2.9
288.05841	3.9
289.07013	89.7
289.15372	3.0
290.07288	1.1
364.90985	0.4
408.19064	0.4
451.20465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91986	0.4
52.56626	0.3
52.96950	0.4
53.03943	0.8
55.01836	0.5
55.05502	0.8
56.96530	0.7
57.03425	0.6
61.02912	0.5
67.05483	1.1
69.03435	4.4
69.05622	0.4
69.07072	0.6
70.06587	0.6
71.04966	2.5
73.02884	0.7
79.05473	1.0
81.03409	5.5
81.07025	1.0
83.04953	0.5
85.02899	9.4
91.05453	3.0
92.05729	0.5
93.07020	0.7
94.04163	3.0
95.04995	0.7
97.02884	4.1
97.06498	0.6
98.97607	0.8
99.04440	7.5
103.03935	5.9
103.05469	0.8
105.07033	1.0
107.04909	0.9
107.08622	0.6
108.04459	0.7
109.02866	5.3
109.06494	0.9
119.04961	1.7
119.08515	0.6
121.06493	0.7
121.10109	0.5
122.03629	11.6
123.04411	0.5
123.26599	0.5
127.03897	11.6
131.04919	0.5
133.10094	0.7
137.05965	100.0
145.02785	1.0
145.04947	2.7
147.04382	5.0
149.05928	0.5
149.09708	0.5
151.03876	1.8
153.06956	0.7
154.07744	0.5
161.05972	4.2
163.06044	0.6
163.07478	0.6
165.06984	5.7
169.06654	0.5
175.07535	0.6
177.05437	1.8
177.06995	0.5
179.08560	2.2
181.06485	2.0
182.07207	2.7
183.08032	0.7
184.05038	0.6
187.05978	0.6
193.06474	3.3
195.08017	0.6
196.08847	0.7
199.07533	0.7
205.06560	0.7
207.08215	0.7
209.05946	0.8
210.06746	3.1
211.07442	0.9
221.05937	5.4
224.08301	2.7
225.09106	4.6
227.06847	0.5
235.07524	0.6
237.09123	0.6
252.07835	0.7
253.08546	3.7
255.06380	0.7
265.08487	0.7
267.10135	4.9
270.08786	0.6
275.17456	0.7
277.08636	1.0
285.11188	12.8
297.11038	0.8
309.11038	0.7
361.14233	0.5
372.11322	0.5
451.19376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13976	0.5
53.03931	1.1
55.01858	1.3
55.05492	1.2
56.96525	0.6
57.03423	1.2
59.83867	0.6
60.87287	0.6
61.02916	0.8
62.15020	0.6
63.53305	0.6
67.04504	0.6
67.05495	3.2
68.99769	6.5
69.03419	8.6
69.07053	1.8
70.06557	0.8
71.04971	1.5
72.08146	0.8
73.02876	2.9
74.44726	0.6
79.05479	1.3
81.03400	5.6
81.03834	0.7
81.07030	3.4
83.04925	0.9
84.04457	0.7
84.08125	0.7
85.02892	11.5
86.09694	3.1
87.74780	0.7
91.05450	5.4
92.08572	1.3
93.07014	1.4
95.04958	1.4
95.08600	4.7
97.02873	8.9
97.06503	0.8
99.04437	10.7
103.03939	5.5
103.05421	1.1
105.07044	5.7
107.04943	8.3
107.08556	1.3
109.02869	9.4
109.10169	1.1
111.04428	1.7
115.05462	0.9
117.07038	1.0
119.04943	4.0
119.08581	1.7
121.02850	60.5
121.03778	2.4
122.03663	1.1
125.00020	1.3
127.03898	19.2
128.06178	0.7
129.06981	3.6
131.04915	5.7
131.08572	0.9
133.06474	13.1
133.10149	0.9
135.04372	5.7
135.37466	0.7
137.05954	15.4
138.09070	0.9
145.02853	4.4
145.04970	4.0
145.06560	0.8
147.04385	1.6
147.11615	1.1
151.07622	0.9
157.06474	7.3
159.04366	4.0
161.05923	0.9
161.09583	1.0
161.13232	0.8
163.03894	6.3
169.06511	1.0
171.04407	1.8
173.06007	3.6
175.03867	0.9
175.07570	1.0
177.05463	0.9
181.06473	1.0
183.04391	3.6
184.07368	5.1
185.05933	3.5
185.07491	0.8
187.03946	0.8
187.06018	0.9
193.50447	0.8
197.05984	5.0
199.03957	0.9
201.05441	6.1
203.03392	0.8
215.06999	0.8
225.05463	2.7
227.03333	9.7
227.07025	1.3
229.04851	1.1
235.16861	0.9
239.94614	0.8
242.05675	6.5
245.04388	3.4
253.05028	5.0
253.07121	0.9
253.18036	0.8
255.10149	0.8
267.10175	1.3
270.05173	3.3
271.05847	3.0
271.18976	2.7
287.05518	1.1
288.05865	0.8
289.06070	1.2
289.08978	1.2
304.07263	0.8
335.09189	1.3
345.07431	1.0
347.08975	1.0
361.10675	1.2
361.40082	1.0
363.08536	4.1
371.09402	1.1
389.10144	100.0
390.10471	1.1
391.08066	44.6
433.09006	13.5
451.10162	91.9
451.73990	0.9
452.10370	1.7
469.27032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19814	0.2
53.03894	0.3
55.75706	0.2
64.39422	0.3
67.45888	0.3
68.99773	6.0
71.01330	2.2
71.11918	0.3
79.05427	0.5
81.03352	0.5
82.82021	0.3
83.41327	0.3
85.02831	1.6
86.67381	0.3
91.05405	2.1
92.08646	0.4
92.99683	0.3
95.04897	0.5
97.02820	0.5
99.04404	0.5
103.03864	0.5
103.05441	0.4
103.49886	0.3
105.06963	0.4
107.04878	0.5
109.02800	0.4
110.66423	0.3
115.05322	0.4
117.06934	0.3
119.04920	12.2
121.02840	12.2
123.00757	2.8
124.01466	1.4
127.03822	2.1
131.04869	2.4
133.02773	0.7
136.88142	0.3
137.05960	2.4
138.99237	0.6
139.00240	11.5
145.02867	2.9
152.00975	2.2
153.01778	2.5
157.01245	0.7
157.06395	0.7
159.04373	0.6
163.03836	2.7
164.43504	0.3
168.00526	3.3
169.01257	0.4
170.02066	5.7
171.04356	0.5
185.00691	1.4
186.01537	3.5
187.03831	1.4
197.05965	0.4
199.03778	1.1
211.03812	0.4
213.05347	0.5
217.04854	0.5
227.03261	0.5
229.04694	0.5
241.04868	1.7
242.05690	12.9
245.04359	1.7
253.04854	1.5
257.04391	40.4
258.04947	0.4
259.09573	0.4
269.04376	11.4
270.05167	34.8
271.05518	0.4
273.03821	1.3
285.03876	8.6
286.04651	21.0
287.05270	0.5
289.08582	0.6
317.07712	0.5
345.07401	0.6
363.08563	21.6
371.08987	1.3
389.10114	100.0
390.10352	1.3
391.08032	47.7
392.08398	0.4
433.09085	7.7
451.10150	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	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
53.24026	0.3
55.01855	0.7
56.54193	0.3
57.03427	0.8
60.61602	0.3
61.02905	2.6
69.03143	0.3
69.03422	4.7
71.04959	0.5
72.08109	0.6
73.02885	0.5
81.03387	1.6
85.02891	16.2
91.05453	5.9
93.07028	0.6
95.04936	0.7
97.02874	3.6
99.04414	0.9
102.51672	0.4
103.05439	1.5
105.07050	3.3
107.04945	17.4
109.02849	1.9
115.05411	0.5
116.62471	0.4
117.06980	0.9
117.13786	0.4
119.04906	2.6
119.08557	0.4
120.08109	0.6
121.06483	22.1
127.03873	2.1
129.06990	5.0
130.07712	0.4
131.04900	2.0
131.08534	2.6
133.06447	2.0
133.10158	0.6
135.08064	4.3
137.05966	7.0
145.04887	1.6
145.06541	0.5
145.07617	0.6
146.07259	4.2
147.08051	0.6
148.05177	3.0
149.05945	1.7
149.09605	2.0
151.07442	0.5
157.06445	1.5
159.07999	0.5
161.05948	100.0
161.09584	31.1
162.06268	0.8
163.07512	17.2
164.08272	1.5
167.06958	0.5
174.06746	2.6
175.07457	0.6
179.07005	24.4
181.08568	1.9
182.09334	0.6
183.10132	7.0
189.09068	52.9
190.09454	0.6
207.10132	63.5
208.10596	0.4
225.11288	0.6
271.11728	29.7
272.12033	0.5
286.04019	0.4
319.88651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06762	0.6
53.00293	0.8
53.03937	1.6
55.01860	3.2
55.05267	0.9
55.05505	14.5
57.03430	14.3
57.07058	3.8
57.77798	0.7
66.12199	0.6
67.05495	50.4
67.54290	0.6
69.07058	13.9
70.06561	0.8
71.04966	1.3
75.04456	1.7
79.05005	1.0
79.05474	40.6
81.07040	50.2
83.08611	6.3
85.06519	1.6
85.10136	0.7
88.07587	0.7
91.05470	19.7
93.07028	47.1
94.89211	0.6
95.04945	3.2
95.08588	40.0
95.09206	1.3
97.06489	2.6
97.10125	1.1
98.98450	100.0
99.08048	0.9
103.20116	0.7
105.07011	15.0
106.68224	0.7
107.08578	28.4
109.06484	2.8
109.10151	13.4
111.08096	1.3
112.65138	0.7
112.65907	0.8
116.99476	4.0
117.07013	5.3
119.08576	8.5
119.23711	0.7
121.10121	19.7
123.08040	0.9
123.11667	4.0
129.05460	3.6
129.06944	0.8
130.32932	0.6
131.08548	11.8
133.10101	7.7
135.08028	1.2
135.11693	11.2
137.09593	0.8
145.10120	8.6
147.11665	5.8
149.02336	6.1
149.09584	1.7
149.13242	9.7
155.01028	19.3
159.11670	6.3
161.13239	4.6
163.11200	0.9
163.14771	5.3
165.12761	0.7
173.02071	7.5
173.13239	5.0
175.14816	1.1
177.12747	0.8
177.16312	3.6
187.14774	2.6
193.04877	5.2
193.94154	0.7
201.16397	0.9
201.88286	0.8
215.17943	0.7
243.21040	13.7
252.99966	1.0
254.00443	1.4
261.22089	29.9
261.92618	0.8
263.00031	0.7
284.29477	1.4
317.24869	2.4
335.25748	40.1
415.22220	1.4
450.31702	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	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00402	0.6
52.06471	0.6
53.03938	0.9
55.01861	1.1
55.05508	1.3
57.03430	10.3
59.04976	0.8
61.02916	2.5
67.05508	0.9
69.03420	6.0
71.04974	75.4
72.08131	2.6
73.02892	4.4
75.04461	3.2
79.05466	5.4
81.03387	1.1
81.07052	1.4
83.04966	7.4
85.02889	84.1
87.04460	3.6
91.05470	3.4
93.07027	4.9
95.04945	3.9
95.08590	2.5
97.02882	3.5
99.04440	2.7
102.62238	0.7
105.07009	5.9
107.04940	100.0
107.08615	1.6
109.06522	0.7
109.10126	0.7
111.04453	5.1
112.67168	0.6
117.07022	0.7
119.04930	5.7
119.08544	5.8
120.82475	0.6
121.06486	7.8
121.10109	1.6
123.04418	3.7
123.08113	0.7
127.03926	4.1
129.05452	18.6
131.04887	3.1
131.08568	1.1
133.06477	5.8
133.10123	4.3
135.04370	0.8
137.05981	7.5
143.08498	1.1
145.04980	1.1
145.06430	0.9
145.10088	1.4
147.04411	3.3
147.06505	9.5
147.07584	1.1
147.11691	3.7
149.05984	1.5
149.09608	1.4
157.06512	0.7
157.10098	1.0
159.11632	1.1
161.05954	12.0
163.07492	1.4
164.09117	1.2
165.09070	1.1
173.05939	1.0
175.14806	9.1
187.07570	2.7
189.16289	0.7
199.14702	0.8
204.10223	1.1
205.08470	2.0
207.10161	2.7
217.08524	0.9
217.15878	2.8
223.09729	4.7
235.16931	4.1
251.68457	0.7
253.10715	2.9
257.13846	2.6
271.11935	1.0
273.09717	1.0
309.11765	2.7
380.77020	0.7
422.17123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
55.01855	0.3
57.03428	3.4
60.04519	0.2
61.02898	0.8
64.47111	0.1
67.05459	0.2
69.03413	1.2
70.06567	0.3
71.04978	1.4
71.14323	0.1
72.08131	0.3
73.02894	0.3
75.04459	1.7
79.98815	0.2
81.03391	0.9
81.07021	0.3
83.04958	0.2
85.02884	5.6
87.04451	0.2
90.30670	0.1
91.05456	1.1
93.07027	0.4
95.04951	0.2
97.02859	1.5
99.04455	0.3
105.07005	0.9
107.04929	1.0
107.08553	0.4
108.86076	0.2
109.02859	0.3
109.06472	0.3
109.10122	0.2
119.04942	0.3
119.08551	0.7
121.06448	0.9
121.10126	0.1
122.03615	0.9
127.03879	0.9
129.06908	0.2
131.08557	0.2
133.06453	0.6
135.04361	0.7
135.07980	0.2
137.05951	100.0
138.06288	0.7
145.02779	0.2
145.04919	0.2
145.10132	0.2
147.04378	0.7
147.07976	0.3
147.11685	0.3
148.04803	0.2
149.02321	0.3
149.05949	1.5
151.07552	1.6
153.01831	0.2
157.10080	0.2
161.05975	0.2
161.09451	0.2
163.06177	0.2
163.07503	0.8
164.04605	0.4
165.09109	1.0
175.07503	5.4
177.05438	0.3
179.06985	18.5
189.09108	0.7
193.08607	1.0
195.06517	0.3
196.58931	0.2
197.08046	1.9
207.10089	0.2
215.06976	0.3
217.15726	0.2
223.09563	0.3
235.09583	1.3
235.13293	0.2
243.06259	0.2
253.10631	4.8
271.11679	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	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99574	0.8
55.01857	5.8
56.74807	1.1
56.96560	0.9
57.03423	10.3
59.07376	1.0
59.45129	1.0
61.02913	2.0
63.13998	0.9
65.26973	1.0
67.84138	0.9
69.03416	11.0
69.56412	1.1
70.06565	1.8
71.04970	16.2
72.08140	1.8
73.02902	38.2
75.04457	6.3
79.05479	1.9
81.03400	4.7
81.07065	1.0
83.04968	4.8
85.02892	38.2
87.04462	1.4
91.05468	6.6
93.03377	1.7
93.07031	2.3
95.04918	2.3
95.08595	1.2
97.02869	6.4
99.04461	1.4
103.05444	4.6
105.07007	5.0
107.04942	40.7
107.08546	1.7
109.02853	2.3
109.10152	1.3
110.03641	5.8
111.04426	5.8
111.52955	1.0
115.03913	2.4
117.06976	2.4
119.04907	1.6
119.08569	5.9
121.06470	7.1
121.10133	1.2
123.08027	1.2
124.07553	4.0
125.05965	42.2
127.03899	5.7
128.06183	2.3
129.05450	4.4
129.06973	28.4
131.04892	11.8
131.08565	5.1
133.06526	2.6
135.08057	2.0
137.05952	23.8
141.05492	1.4
145.02811	1.2
145.05017	1.5
145.06483	7.8
145.10123	1.6
147.04361	1.8
147.06551	4.8
147.08035	27.7
148.05185	4.9
149.06007	2.6
149.09596	1.2
151.03883	100.0
151.07498	13.6
157.06464	34.5
158.07298	1.2
159.08089	1.5
161.05972	10.8
161.09593	5.7
162.06712	1.2
163.07507	27.9
165.05380	1.7
173.05952	1.2
174.06699	10.7
175.07510	15.7
177.05458	5.3
177.09047	5.2
179.06998	54.3
179.10637	1.1
181.04974	10.9
185.06013	1.8
187.07362	1.4
189.05508	11.0
189.09071	52.9
190.06090	2.2
191.06978	2.6
193.08607	1.2
197.08047	15.8
199.07524	2.5
202.06194	1.7
203.07051	1.4
205.08574	13.7
205.12250	1.3
207.06581	2.1
207.10126	52.9
217.08557	22.1
223.09622	17.1
225.07649	2.3
225.11066	15.2
235.07207	2.3
235.09604	62.1
235.13261	3.7
239.02116	1.6
253.10638	33.1
253.14470	1.2
271.11710	87.1
437.49954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01863	1.4
55.05505	2.4
56.96562	1.3
57.03424	5.8
61.02914	1.0
61.27469	0.9
64.98565	0.8
66.49690	0.9
67.05468	1.2
69.03412	12.1
70.06560	0.9
70.89972	0.9
71.04972	24.0
72.08131	1.8
73.02906	1.2
79.05476	4.2
81.03386	6.4
81.05787	1.5
81.07024	4.1
83.04964	3.9
85.02888	42.0
91.05457	7.2
93.07008	3.9
95.04954	1.8
95.08567	1.9
96.08118	16.8
97.02866	4.9
97.06479	1.1
98.97585	1.1
99.04432	1.5
103.05456	1.6
105.07002	6.1
105.84374	1.0
106.06557	1.2
107.04939	61.3
107.08589	1.8
109.10155	1.2
111.04436	1.2
115.03918	5.2
117.07030	3.7
119.04933	4.4
119.08579	5.8
121.06476	5.4
121.10165	1.8
123.08034	1.9
124.07567	100.0
125.05988	3.7
126.46362	1.0
127.03909	4.0
128.06143	1.4
129.05463	7.3
129.06961	14.3
131.04901	5.1
131.08528	3.6
133.06461	7.6
135.08037	4.0
137.05933	7.2
137.09601	1.2
143.04909	1.0
143.08618	1.4
145.06459	3.5
145.10046	1.3
147.04390	14.6
147.06534	4.2
147.08022	37.2
147.11671	1.7
149.06004	1.4
149.09579	1.3
151.07547	19.1
157.06456	14.3
158.07269	1.0
159.08063	1.3
161.05939	10.7
161.09593	7.8
161.13278	1.4
163.07506	16.7
165.05428	2.0
165.09114	2.2
171.11717	1.2
174.06731	3.8
175.07510	6.6
175.11145	1.0
177.05460	4.4
177.09059	4.0
179.06996	39.9
179.10594	3.3
189.05434	12.3
189.09055	30.8
191.06993	1.2
199.07581	1.2
205.08594	2.4
205.12010	1.1
207.06544	4.5
207.10133	52.3
217.08650	6.7
217.12117	1.5
223.09625	22.7
225.11172	21.9
235.09688	7.4
235.13322	7.1
253.10675	18.7
253.14401	3.2
265.05405	1.1
270.13235	1.9
271.11673	8.7
367.08350	1.3
421.21994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.3
55.01869	2.1
55.05497	1.6
57.03429	35.4
59.04982	6.8
59.47012	1.0
60.04500	1.7
61.02908	1.7
66.59698	0.9
67.05501	1.3
69.03419	100.0
69.07048	1.2
69.58342	0.9
70.06583	10.2
71.04984	4.6
72.08131	1.7
73.02929	1.3
75.04467	6.7
79.05469	7.3
81.03389	2.3
81.07045	2.0
82.16645	0.9
83.01352	1.4
83.04987	1.4
85.02893	75.7
85.06527	1.2
86.09686	7.1
87.04456	55.9
91.05453	2.1
92.09280	2.1
93.07021	5.2
95.04936	2.0
95.08549	2.2
97.02872	65.9
99.04434	2.1
105.06991	8.4
107.04941	43.7
107.08570	2.3
109.02878	4.6
109.06520	1.3
115.03920	62.0
117.07011	2.0
119.04887	1.6
119.08549	5.5
121.06502	4.7
121.10105	5.8
123.08031	1.5
125.05996	1.9
127.03911	2.7
129.06989	2.3
129.11046	1.1
131.08553	2.3
133.04942	58.4
133.10078	2.4
135.08017	4.8
137.05984	4.9
139.07520	31.5
143.08575	2.0
145.04898	2.1
145.06520	2.4
145.10149	4.9
147.04388	1.4
147.08066	1.2
147.11664	1.9
150.07632	4.3
151.07533	2.6
152.07260	1.1
157.10101	1.7
159.11626	1.7
163.07512	2.5
173.05899	1.4
175.07465	2.6
177.08961	1.7
177.12611	1.7
181.08598	2.1
189.05475	1.5
189.09024	1.6
189.16342	1.4
203.07053	1.2
205.08623	1.3
213.09033	1.1
217.15878	5.3
235.09546	1.5
241.08788	1.7
259.09799	2.0
287.09027	2.2
305.09952	2.5
397.14719	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10452	0.2
55.05504	1.4
57.07069	0.5
58.01634	0.3
67.05505	0.5
68.85130	0.3
69.07045	1.3
74.94673	0.3
78.04699	0.3
78.35308	0.3
79.05477	0.7
81.07039	1.5
83.08619	0.5
83.90000	0.3
89.03899	10.0
91.05470	1.3
92.09284	0.6
93.07021	0.5
95.08581	1.7
103.05512	0.4
106.04166	0.6
117.03362	37.5
121.06480	0.3
134.03629	2.9
135.04419	2.8
135.58685	0.3
145.02832	88.9
146.03131	0.6
149.05968	12.0
162.03049	0.3
162.87752	0.3
163.03853	1.5
177.05435	100.0
178.05739	0.3
186.05412	1.5
190.32788	0.4
273.86700	0.3
284.53500	0.3
403.27493	0.4
419.76147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81835	1.7
54.81402	1.8
56.28321	2.0
56.35176	2.2
57.07058	1.9
58.07895	1.9
67.05502	1.9
68.16806	2.2
69.07070	3.0
73.31286	2.6
81.07047	5.1
91.05450	2.7
95.08591	2.8
95.53259	2.2
96.02682	2.3
101.43440	2.2
105.07018	3.5
136.04471	2.3
168.13840	10.3
209.11479	13.7
449.32211	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	450.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.6
53.03923	1.1
55.01869	2.0
55.05510	0.8
57.03431	36.0
59.04990	9.3
60.04511	2.1
61.02919	1.8
69.03419	100.0
70.06550	1.0
71.01315	0.7
73.02890	2.0
74.82014	0.7
75.04464	5.3
76.30785	0.8
81.03417	3.5
81.24747	1.0
83.04969	1.2
85.02895	74.0
87.04456	60.0
91.03922	1.3
95.04956	18.7
97.02876	74.4
99.04449	1.7
101.02363	1.1
104.00285	1.0
111.04415	1.5
115.03917	63.9
121.02859	14.9
121.06541	1.1
127.03889	3.5
133.04947	62.2
139.03889	44.4
145.04985	3.5
150.07616	14.1
180.08675	1.4
189.76035	0.8
300.35132	0.9
368.07336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26844	2.0
54.81158	1.8
55.05502	37.3
57.03427	28.0
57.07064	4.5
67.05492	66.8
69.07054	31.3
75.88085	1.7
77.30502	1.6
79.05466	21.6
81.07037	67.5
83.04948	2.6
83.08615	15.5
88.34130	1.6
91.05455	18.0
91.42676	1.7
92.08604	1.9
93.07024	20.3
93.73998	1.7
95.04948	2.3
95.08585	58.8
97.06496	2.6
97.10148	7.5
98.98440	2.5
102.21604	1.5
104.68896	1.6
105.07003	8.6
107.08558	4.4
109.10137	17.8
113.00003	94.6
119.08574	4.3
121.06478	2.1
121.10106	6.9
123.11674	3.9
133.10117	3.8
135.11685	2.6
135.35242	1.8
147.11618	2.9
161.13206	2.1
169.02577	31.5
197.07629	1.9
219.06461	2.4
245.22688	2.1
263.23581	7.2
328.53320	1.8
337.27298	100.0
384.43860	2.0
449.28833	3.2
449.99033	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2897
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
51.02378	0.2
55.05502	0.6
57.07063	0.7
58.65444	0.1
63.02363	0.3
66.27749	0.1
67.05486	0.3
69.07066	0.7
69.11063	0.1
73.42639	0.1
78.04691	0.3
79.05489	0.3
81.07064	0.2
83.08607	0.3
87.32109	0.1
89.03896	8.9
90.66423	0.1
91.05456	0.9
92.63595	0.1
93.07018	0.5
95.04901	0.2
95.08556	0.2
103.05427	0.5
106.04149	0.7
107.08562	0.2
117.03360	35.5
119.04944	0.1
124.05220	0.3
134.03619	2.6
135.04393	4.1
136.58391	0.1
145.02831	81.4
146.03177	0.2
147.04428	0.2
149.05963	14.7
158.06035	0.3
162.03043	0.3
163.03885	2.5
177.05437	100.0
178.05771	0.3
184.78848	0.1
186.05460	0.8
190.26027	0.1
195.06464	0.2
253.05040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2531
Annotation	Ugaferin
Peak:m/z	Relative Intensity
53.03919	0.9
54.74520	0.5
55.01860	0.7
55.05507	4.5
55.57808	0.4
57.03423	1.1
66.89339	0.4
67.05492	15.4
67.22246	0.4
69.03406	0.7
69.07047	4.2
71.08609	3.0
73.89062	0.5
77.84520	0.5
79.05475	16.3
81.07041	12.4
83.04943	0.5
83.08598	5.8
85.06575	0.5
91.05457	18.3
93.07022	23.8
95.04948	2.8
95.08590	10.8
97.06510	2.7
97.10123	1.2
98.98437	1.1
99.08080	2.3
105.07006	5.8
107.08572	16.4
109.06494	0.6
109.10136	3.7
109.96232	0.5
111.08069	2.0
117.07005	1.2
118.24155	0.5
119.04922	24.7
119.08551	7.9
121.10121	22.9
123.08045	2.6
125.09570	0.8
129.07043	0.7
131.08554	5.1
133.06526	0.5
133.10098	8.5
135.08051	2.2
135.11653	9.6
136.67427	0.5
137.09589	6.0
139.11180	0.6
141.86551	0.5
143.08533	0.7
145.10092	2.6
147.04390	100.0
147.11639	4.9
149.09570	3.5
149.13216	0.7
150.97421	0.6
151.10063	0.5
151.11134	3.8
153.09068	2.2
157.10046	0.7
161.13242	0.9
163.11182	0.6
165.05453	9.5
171.11642	0.7
179.14255	0.8
203.17924	1.1
213.16310	4.5
221.18974	0.8
231.17386	4.1
249.18448	49.0
264.10376	0.5
267.19476	9.9
277.21558	1.1
285.20496	1.0
292.93359	0.5
351.25046	4.1
402.17999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2377
Annotation	Atractyloside A
Peak:m/z	Relative Intensity
51.57531	0.4
53.00293	0.6
53.03927	0.9
55.01852	3.2
55.05275	0.6
55.05507	11.7
57.03141	0.8
57.03423	21.0
57.07040	2.2
61.02910	3.8
65.03912	0.8
67.05488	46.9
69.03430	1.5
69.07050	18.6
71.01319	0.6
71.04970	4.0
73.02882	1.0
75.90165	0.4
79.05472	29.0
81.03407	1.1
81.07034	60.1
83.04960	7.1
83.08600	11.7
85.02874	2.8
85.06509	3.1
91.03928	0.8
91.05453	11.6
92.08650	0.5
93.07019	46.6
95.04948	4.3
95.08016	0.7
95.08584	14.7
97.02865	2.3
97.06509	9.4
97.10141	1.8
99.04456	0.6
99.08060	2.0
99.74952	0.4
105.04516	0.5
105.06992	5.5
107.07867	1.0
107.08572	25.7
109.02827	0.5
109.06482	3.3
109.10119	2.5
111.08050	6.6
111.11679	0.5
113.09602	0.5
117.06992	6.7
119.08527	2.0
121.06467	1.0
121.10111	16.8
123.11658	1.8
131.07660	0.5
131.08540	8.8
133.10094	5.5
135.08009	1.0
135.11655	7.5
139.11156	1.1
149.13229	28.5
159.11670	11.7
161.65352	0.5
177.12674	4.6
195.13771	8.3
227.21899	0.6
269.17401	100.0
270.17749	0.8
295.45544	0.5
317.75928	0.5
339.56223	0.5
431.22665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.01875	3.1
55.05503	22.2
55.46014	1.3
56.02719	1.4
56.99301	1.4
57.03435	17.2
57.07071	2.5
63.77921	1.3
67.05490	49.3
69.03431	1.8
69.07059	14.4
71.04984	1.6
71.08619	57.9
77.02321	1.3
79.05476	47.1
81.03417	7.7
81.07039	46.3
81.07474	2.4
83.04958	11.8
83.08613	9.2
85.10213	1.8
91.05463	31.5
93.07025	59.7
95.04967	9.6
95.08574	31.2
97.06522	9.7
97.10161	6.4
98.98442	19.4
99.08074	27.1
105.07027	18.0
107.04279	1.4
107.04951	9.2
107.08575	20.7
109.06542	5.3
109.10136	11.6
113.09668	1.9
117.06991	3.4
119.08559	18.6
121.10110	16.4
123.08149	1.6
125.09551	1.8
129.06990	2.1
131.08546	2.9
133.10135	11.6
135.11662	21.0
136.22125	1.4
144.17587	1.5
145.10091	5.4
147.11703	3.2
149.13286	2.0
151.11153	15.6
155.01091	2.1
159.11705	2.0
161.13202	14.1
163.11194	9.2
167.10681	1.7
179.14264	55.5
259.20569	2.3
263.93701	1.4
277.21582	35.3
317.92465	1.5
333.14288	1.7
351.25226	100.0
385.34177	1.5
449.21420	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	448.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28417	1.7
55.05498	4.0
57.03426	3.9
57.07053	11.4
67.05493	1.7
68.60340	1.7
69.07043	2.8
70.06572	25.0
71.08613	4.3
81.07032	3.9
83.08627	2.0
88.07617	31.2
91.05477	3.2
95.04951	2.2
98.98424	2.5
102.09172	21.6
102.43715	1.9
121.06501	7.3
123.64172	1.9
132.02045	15.6
136.01541	11.2
137.00031	2.5
147.04396	48.1
148.05174	4.0
155.00995	2.5
175.03857	74.1
178.37614	1.9
180.04156	14.9
219.06487	100.0
256.26318	55.5
375.56750	2.1
448.30579	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	0.4
67.05486	2.4
81.07023	0.9
93.06998	0.8
96.79170	0.4
109.10160	4.2
119.08568	3.1
121.06475	11.3
122.07269	1.9
135.08043	0.5
136.08807	15.0
137.09586	14.2
145.92513	0.4
149.02306	2.1
149.09596	1.9
151.07545	0.8
152.08319	0.9
159.11653	0.4
164.08295	31.1
165.09073	100.0
166.09711	0.6
177.09062	1.0
187.11194	0.6
189.47597	0.4
190.09927	0.5
191.10651	0.6
205.12198	7.3
206.62256	0.4
291.46130	0.5
300.85059	0.4
368.13718	0.5
379.04190	0.4
430.37961	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01868	0.8
55.05502	2.4
57.03189	0.4
57.03431	9.7
58.48242	0.4
59.04971	0.6
61.02900	1.0
69.03422	3.1
69.07071	0.5
69.88238	0.4
70.06570	0.4
71.04977	52.1
72.08139	1.1
73.02885	2.1
75.04465	3.2
79.05478	3.3
81.03413	0.6
83.04967	6.5
85.02891	65.1
86.00633	0.6
87.04428	0.8
90.03728	0.6
91.05440	0.8
95.04920	2.0
97.02869	3.3
99.04453	1.8
103.03966	0.5
103.05446	2.5
105.07012	100.0
107.08572	0.5
109.02850	1.0
109.10175	0.5
111.04424	2.8
117.07012	1.0
119.08597	3.1
121.06488	0.9
121.10105	0.5
121.77232	0.4
127.03867	2.0
127.41837	0.5
129.05466	15.5
129.06972	0.9
130.04982	0.8
130.07295	0.4
131.08583	1.4
137.05983	1.8
141.09143	0.5
142.08644	0.6
143.02725	1.7
143.08606	0.8
145.04919	1.6
145.06418	0.5
145.10138	1.0
147.04497	1.7
147.06517	9.8
147.08038	1.7
149.09607	0.7
156.81934	0.4
159.08055	2.5
163.06216	0.5
164.09132	3.0
189.03262	0.8
189.09108	1.9
195.80742	0.4
233.11653	0.6
233.15329	0.5
244.73152	0.4
251.12929	0.4
251.16299	0.6
255.08710	1.1
273.09647	1.0
309.11887	0.9
341.97354	0.6
343.88043	0.4
380.19168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
55.01859	0.7
55.05498	3.0
55.68259	0.5
56.49918	0.4
57.03421	2.0
58.95463	0.4
67.05493	7.8
69.03407	4.5
69.07061	3.8
70.06578	0.5
71.04958	0.5
77.03892	0.5
79.05471	7.2
81.07040	13.1
83.04971	2.7
84.04538	0.5
84.92814	0.4
85.02882	1.8
85.06535	0.9
91.05456	10.2
93.07026	20.0
95.04934	1.1
95.08585	25.9
97.02863	0.7
97.06511	1.9
99.04399	0.6
105.07014	20.4
107.04877	0.6
107.08582	10.6
109.06509	2.2
109.10140	1.1
111.04463	0.7
111.08045	2.4
113.09628	0.5
115.03907	0.9
117.06985	4.3
119.08561	100.0
121.06478	1.0
121.10125	10.1
123.08068	5.1
123.11675	0.6
127.03900	0.5
129.05486	2.4
129.06967	0.8
131.08549	9.2
133.10117	4.1
135.11690	0.5
137.05956	1.0
139.07513	2.8
141.09074	4.0
142.07764	0.7
143.07118	0.5
143.08548	2.8
144.09326	0.6
145.02760	0.5
145.10097	10.5
147.11688	2.2
155.08525	6.6
156.09328	1.1
157.08595	2.0
157.10132	2.1
159.08020	2.1
159.10255	1.3
159.11678	8.0
161.13240	5.0
165.29530	0.5
167.08545	1.2
169.10098	5.7
171.11694	0.7
173.09587	2.2
173.13243	1.2
182.10864	4.4
187.14803	3.5
197.13231	18.9
215.14268	12.4
233.11792	0.8
233.15320	4.4
251.16371	7.3
346.45355	0.5
359.41852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01854	0.8
55.05509	0.4
56.71474	0.3
57.03433	22.9
61.02907	2.6
61.03170	0.3
64.77357	0.3
65.03909	0.4
68.99770	2.3
69.03413	5.7
71.04967	0.9
73.02888	0.5
75.04055	0.5
75.04466	11.4
79.97513	0.3
81.03400	2.3
83.04992	0.4
84.04488	0.4
84.05264	0.4
84.08120	0.8
85.02892	16.2
85.06569	0.4
86.09676	0.5
87.04440	0.9
89.03893	2.9
91.05458	5.5
93.07060	1.2
95.04959	1.9
97.02876	5.0
99.04440	0.5
103.05426	2.8
105.07017	0.9
106.06450	0.4
107.04914	1.4
109.02872	0.9
111.04425	0.5
112.11248	0.3
117.03358	14.2
119.04919	1.8
121.02816	0.8
121.06485	0.7
123.04396	0.9
125.05962	1.4
127.03891	1.8
129.06979	0.4
131.04903	2.2
133.06482	0.4
134.03607	3.9
135.04433	3.2
137.05920	0.9
145.02834	54.0
147.04388	2.7
147.08023	0.5
149.05965	8.4
153.05452	4.2
154.08653	0.4
154.88374	0.4
159.08040	0.4
162.03044	2.8
163.03876	12.1
163.07437	0.5
177.05446	100.0
179.03229	0.4
180.04156	26.4
181.12209	0.6
185.43852	0.4
187.07521	1.4
191.03474	0.5
191.07024	0.6
192.04137	1.7
193.04968	4.3
194.05705	0.9
195.06506	39.0
203.06969	0.5
205.08603	0.6
207.06511	0.4
215.06998	1.5
221.07857	0.4
225.43457	0.4
230.00482	0.4
233.08009	3.9
251.09116	5.4
265.08099	0.6
269.10156	37.3
286.10455	0.5
443.31372	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	448.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97294	0.5
53.03929	0.8
55.01857	0.9
57.03429	18.4
61.02914	0.8
64.62473	0.5
64.63790	0.6
67.66431	0.6
68.99752	2.0
69.03407	4.1
72.08146	0.8
73.02880	1.0
75.04460	9.2
76.27812	0.5
79.05515	0.6
79.56655	0.6
81.03370	1.3
85.02422	0.8
85.02888	12.6
89.03899	3.6
91.05461	5.2
95.04934	1.4
97.02861	3.6
99.84692	0.6
101.61513	0.6
103.05463	1.3
109.02882	0.8
115.03936	0.8
117.03357	14.1
119.04894	1.1
123.04407	1.1
125.05987	0.9
127.03925	0.6
129.06927	0.6
131.04898	1.3
131.08449	0.6
133.06430	0.7
134.03604	3.7
135.04413	3.3
145.02824	48.1
147.04375	1.4
149.05948	7.6
153.05429	3.9
162.03056	0.9
163.03868	11.8
177.05432	100.0
180.04137	26.1
192.04085	1.3
193.04944	5.2
194.05716	1.1
195.06496	39.1
204.10066	0.8
221.07964	0.8
233.08026	2.8
239.48073	0.7
251.09093	5.0
269.10141	40.0
269.13092	1.3
448.72931	0.9
468.71448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
55.93520	0.4
57.03426	4.8
61.02909	0.6
67.87534	0.3
69.03422	1.8
69.07070	0.4
70.06569	0.3
71.04971	0.5
72.08131	1.4
72.67882	0.3
72.93775	0.3
75.04463	0.7
75.53225	0.3
81.03398	1.2
83.04995	0.4
83.32716	0.2
84.04470	0.5
84.08160	0.3
85.02888	6.5
86.09676	0.5
87.04432	0.4
89.03895	3.2
90.94832	0.3
91.05450	1.3
91.51488	0.3
92.09283	0.6
93.07017	0.3
95.08589	0.4
96.08108	0.5
97.02863	1.6
99.04403	0.4
103.05438	0.4
105.07018	0.6
109.02880	0.5
114.15628	0.3
117.03356	15.9
119.04922	1.4
119.08524	0.3
121.06490	0.5
123.08084	0.4
124.07575	1.1
127.03841	0.4
134.03641	1.2
135.04399	2.7
137.05983	0.5
137.25623	0.3
142.08640	0.6
144.05682	0.4
144.95879	0.5
145.02827	59.6
147.04382	2.3
149.05962	8.2
149.96149	0.4
159.07979	0.4
160.05087	0.4
160.09644	0.4
162.03075	1.9
162.96918	0.5
163.03851	4.2
163.07458	0.4
166.03220	0.5
173.96101	0.4
174.96846	0.4
175.03877	0.3
177.05431	100.0
178.05748	0.6
187.07469	1.5
193.04913	1.5
195.06493	15.4
204.10175	0.4
215.06984	2.7
215.97186	0.5
219.06436	1.2
233.07977	1.2
233.98082	0.7
251.09120	10.4
259.99576	0.4
269.05740	0.5
269.10141	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23183	0.4
51.67672	0.4
53.03931	0.8
55.01861	2.3
56.31884	0.4
57.03426	1.0
61.02915	0.6
62.26476	0.4
62.82354	0.4
65.03947	0.4
67.05482	1.1
68.38351	0.4
69.03412	73.6
70.06577	0.5
71.04974	1.2
72.08126	2.2
72.10219	0.4
73.02893	1.0
78.52713	0.4
80.83875	0.5
81.03403	1.2
85.02888	12.2
87.04434	0.7
91.03888	0.5
91.05460	0.7
94.06546	2.5
94.16682	0.4
97.02882	6.7
99.04405	0.7
105.07024	0.8
107.04935	0.7
112.32093	0.5
115.03905	100.0
115.05431	7.2
117.06995	7.1
119.04913	2.0
121.06469	0.6
122.05998	13.6
125.05966	0.6
127.03877	10.0
128.06200	1.2
129.06944	6.4
130.05028	0.5
131.04890	2.5
133.04990	0.8
133.06516	0.9
137.05951	12.1
143.04910	10.3
145.04898	3.4
145.06441	5.4
146.03581	0.7
147.04375	5.1
153.05441	1.0
155.04813	0.6
157.06447	9.5
160.05124	5.2
161.05946	11.9
163.07516	1.0
171.04350	6.2
173.05936	0.9
174.06725	14.6
174.11194	0.6
175.07501	16.5
179.07011	2.9
183.04376	0.5
187.07503	2.8
189.05409	16.1
189.09024	4.8
191.07033	3.6
193.08569	1.9
203.06979	12.5
205.08696	1.7
215.07001	1.2
217.08563	2.0
221.08051	7.7
233.08044	28.5
235.09634	2.2
239.09099	8.2
251.09077	7.0
269.10147	7.3
358.29388	0.5
361.25925	0.5
386.23669	0.6
410.34097	0.5
448.72873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01865	0.7
55.05503	1.1
56.05036	1.0
57.03431	11.0
61.02907	1.3
61.28816	0.6
62.06078	2.8
67.05481	0.6
69.03411	3.9
69.85075	0.6
70.06606	0.7
71.04980	2.6
72.08142	1.5
73.02925	0.9
74.02427	0.7
74.06056	0.7
75.04494	1.0
76.03965	0.7
77.65290	0.6
79.05465	1.3
80.04993	3.2
81.03399	1.3
81.07064	0.9
82.06520	0.7
82.99557	0.9
83.04974	1.5
83.06094	2.6
84.04490	22.6
84.97447	0.7
85.02881	9.8
85.06510	0.5
86.00648	0.7
86.09685	0.9
88.86902	0.6
89.03900	3.7
91.05466	3.5
93.07050	0.9
94.06528	1.2
95.04941	2.5
95.08607	0.8
95.50485	0.8
97.01102	2.5
97.02871	4.0
99.02682	0.7
100.02170	0.9
103.05456	1.0
105.05719	0.9
105.06986	2.0
106.06532	0.9
107.04955	1.3
107.07289	1.1
108.04459	0.9
109.02868	0.6
109.07638	2.5
110.05999	1.1
111.02662	5.5
111.04357	0.7
116.01668	0.8
117.00047	1.2
117.03368	15.4
117.07045	0.9
119.04912	3.6
119.08562	2.2
121.06501	1.2
121.10127	0.9
122.06052	1.1
123.02638	3.6
124.02171	5.1
124.07584	0.7
125.05955	0.7
127.03880	1.1
128.01665	0.8
128.09116	0.6
129.05551	0.7
129.06531	0.8
130.04987	2.8
131.04875	0.7
135.04401	2.4
137.05960	0.9
138.03717	16.7
138.98465	1.1
139.02083	4.2
140.05269	5.7
141.00017	1.3
142.03206	1.0
145.02824	63.7
147.04387	11.5
147.06436	0.9
149.05948	10.6
150.03754	0.8
153.06599	1.3
155.08174	1.0
156.04709	1.0
157.03145	3.8
162.03154	1.3
163.03841	2.7
166.03198	44.8
166.04619	1.4
167.01614	7.6
168.04755	8.9
170.34328	0.6
172.05104	0.6
173.02632	1.3
175.03909	0.8
177.05435	100.0
181.06107	0.7
181.12123	0.9
182.06306	1.4
184.04211	4.6
187.07524	0.6
187.14516	0.9
194.02669	5.5
195.01004	0.7
195.06477	17.5
195.08078	0.8
196.04181	0.8
198.05876	4.2
199.04166	1.4
204.10175	1.1
205.12189	1.1
212.03783	2.6
215.06990	2.3
216.06938	1.5
219.06534	1.5
223.05325	10.5
223.07193	3.2
233.08090	1.3
233.11633	1.0
233.15302	0.9
241.06334	2.5
245.05937	0.8
250.05315	4.3
251.09061	10.1
251.12848	1.4
255.08090	1.1
269.05826	26.5
269.10110	17.8
283.07410	4.3
287.06851	3.2
295.07388	1.0
301.08499	24.4
341.07993	0.7
373.10638	6.8
448.13727	3.7
448.20349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	17.5
55.05508	57.9
57.03429	62.3
57.07065	17.9
67.05490	21.2
69.07052	49.0
71.08609	7.6
72.93822	4.2
79.05486	8.4
81.07031	15.0
81.72466	3.9
82.48678	3.2
83.08614	30.8
88.56955	3.0
93.07003	7.9
95.08563	4.6
97.10151	24.4
98.98451	100.0
111.08111	4.5
121.10100	5.6
133.23039	3.6
135.11658	3.8
136.99968	80.0
149.02336	5.3
155.01015	58.3
160.53357	4.0
162.72430	4.5
193.02643	6.9
211.03708	4.8
237.22215	4.8
241.01569	3.6
311.25687	42.8
447.24969	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	3.1
53.46131	1.5
55.01870	3.1
55.05507	27.1
56.96569	2.0
57.03419	9.1
57.06850	1.7
57.07069	26.5
61.02800	1.7
65.65807	1.6
67.05495	32.7
69.07066	24.9
71.04977	3.5
71.08612	8.0
79.05488	16.4
81.03386	11.8
81.07045	38.3
83.04970	4.2
83.08604	20.2
85.10165	44.1
90.00309	1.9
91.05463	14.4
92.08652	7.1
93.07017	25.7
95.04933	12.7
95.08579	35.0
97.06498	3.9
97.10149	11.0
99.08054	2.1
105.07023	12.8
107.04926	12.8
107.08605	16.5
109.06516	2.2
109.10142	11.1
110.10452	2.1
111.08048	2.1
113.09641	27.8
119.08539	8.3
119.89084	2.0
121.10099	12.7
123.08056	1.9
125.09605	2.5
129.06989	2.3
131.08517	3.8
133.10110	7.2
135.11697	4.0
135.56880	1.9
136.06177	2.0
145.10120	2.2
147.11705	7.4
149.09612	8.0
149.13225	3.6
151.11176	4.6
153.38660	1.8
161.13158	2.5
163.11133	3.7
165.12700	48.5
173.13048	2.0
175.11108	3.9
244.40271	2.0
277.21564	40.3
295.22647	100.0
315.25226	4.7
353.26669	2.0
371.27841	4.0
372.28207	2.6
380.78995	2.0
445.31552	4.2
446.31879	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04836	1.5
51.81005	1.3
55.01859	9.0
55.05502	21.3
57.03418	18.6
57.07043	3.3
67.05489	33.0
69.03403	3.0
69.07048	19.8
71.04980	2.0
71.13120	1.5
79.05476	30.7
81.03414	2.5
81.06598	2.5
81.07037	43.8
81.73089	1.5
82.14053	1.5
83.04959	8.8
83.08598	8.0
85.06509	1.4
91.05456	32.0
92.09319	3.3
93.07021	43.2
94.46510	1.7
95.04933	9.6
95.08575	23.5
97.06509	3.8
98.98447	39.3
105.07014	33.0
107.04960	13.3
107.08587	23.7
109.06477	18.1
109.10168	12.2
111.08075	2.8
112.74901	1.8
117.06985	12.3
119.08560	22.9
121.06468	16.0
121.10119	15.9
123.08063	7.7
129.06969	3.1
131.08531	22.4
133.06451	3.4
133.10109	21.2
135.08025	9.0
135.11652	9.4
137.09554	2.4
143.08536	3.2
145.10059	16.8
147.08070	2.9
147.11684	14.0
149.02295	2.5
149.09590	8.2
149.13271	3.6
151.11134	6.2
153.09042	2.1
155.08519	2.2
157.10167	2.3
159.08020	3.3
159.11668	12.1
161.09540	2.8
161.13159	2.7
163.11160	8.2
171.11687	2.6
173.09669	2.0
173.13225	8.7
175.11086	3.8
183.11613	2.5
189.57545	1.7
193.04922	3.0
197.13266	2.5
207.13722	2.0
213.16461	1.9
219.13794	2.3
247.20467	1.8
247.24086	1.8
257.18915	10.8
275.20007	66.3
293.21054	11.1
349.23679	100.0
429.20364	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	446.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.7
57.03420	3.8
61.02895	8.9
64.33138	1.8
69.03416	21.5
69.07045	10.3
71.04955	2.3
81.03376	4.0
85.02886	100.0
86.06062	3.0
87.08080	68.5
87.52405	2.1
91.03944	2.7
93.25594	2.1
97.02885	20.5
99.04408	1.8
109.02872	8.9
123.29273	1.8
127.03871	17.6
137.05930	14.0
145.04907	20.3
163.05981	8.6
183.90167	2.0
267.14203	9.6
284.14798	2.4
287.87274	2.4
366.73175	1.9
446.20526	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	446.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	2.5
55.01871	28.9
55.05505	31.9
55.85155	2.4
57.07066	5.3
57.57972	3.0
63.09346	2.5
67.05498	33.7
67.66998	2.3
69.07059	21.4
71.01344	4.1
71.08607	6.0
79.05476	25.7
81.03407	13.4
81.07043	43.3
83.04965	6.6
83.08617	17.9
85.10165	5.3
91.05461	25.7
93.07047	29.4
95.04954	16.6
95.08607	31.7
97.06528	18.4
97.10195	3.5
99.08070	11.0
105.07023	43.9
107.08586	14.9
109.06523	6.4
109.10150	13.2
111.08078	33.5
113.09673	5.0
119.08598	20.6
121.10130	14.8
123.08066	4.3
123.11674	4.6
129.07034	5.3
131.08525	3.9
133.06483	18.9
133.10117	23.0
135.11655	5.9
137.05946	27.4
139.11147	3.1
147.11656	18.9
149.02356	5.8
149.09601	3.9
149.13237	3.8
151.11189	13.8
161.13258	5.5
165.09100	43.8
165.12743	25.2
179.14288	5.6
198.08243	2.7
203.14043	2.8
249.22163	5.3
259.20370	4.0
277.21579	100.0
295.22641	68.2
313.23718	4.6
365.23181	15.5
411.23090	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	446.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	2.5
55.01871	28.9
55.05505	31.9
55.85155	2.4
57.07066	5.3
57.57972	3.0
63.09346	2.5
67.05498	33.7
67.66998	2.3
69.07059	21.4
71.01344	4.1
71.08607	6.0
79.05476	25.7
81.03407	13.4
81.07043	43.3
83.04965	6.6
83.08617	17.9
85.10165	5.3
91.05461	25.7
93.07047	29.4
95.04954	16.6
95.08607	31.7
97.06528	18.4
97.10195	3.5
99.08070	11.0
105.07023	43.9
107.08586	14.9
109.06523	6.4
109.10150	13.2
111.08078	33.5
113.09673	5.0
119.08598	20.6
121.10130	14.8
123.08066	4.3
123.11674	4.6
129.07034	5.3
131.08525	3.9
133.06483	18.9
133.10117	23.0
135.11655	5.9
137.05946	27.4
139.11147	3.1
147.11656	18.9
149.02356	5.8
149.09601	3.9
149.13237	3.8
151.11189	13.8
161.13258	5.5
165.09100	43.8
165.12743	25.2
179.14288	5.6
198.08243	2.7
203.14043	2.8
249.22163	5.3
259.20370	4.0
277.21579	100.0
295.22641	68.2
313.23718	4.6
365.23181	15.5
411.23090	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	446.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98405	0.1
62.95481	0.1
63.21446	0.1
68.05009	1.0
69.03416	10.7
86.06052	31.6
87.04449	95.4
88.89211	0.2
92.08726	0.1
104.07086	100.0
105.05477	0.4
105.49104	0.2
203.56143	0.2
312.98450	0.1
314.96796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.92076	0.2
64.39172	0.3
64.98166	0.3
66.26083	0.3
69.03394	0.3
69.96188	0.2
70.06567	0.5
71.04990	0.5
72.08125	0.4
79.05496	0.6
84.90958	0.3
85.02906	2.2
86.09686	0.3
91.05427	0.3
91.97093	0.3
93.07017	1.3
103.05452	4.9
107.04958	3.1
120.08088	100.0
121.06480	1.4
121.08448	0.6
127.03903	0.4
131.04901	2.7
149.05945	2.0
152.07059	1.4
166.08609	25.8
202.08672	0.3
327.94482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53841	1.3
53.03931	7.5
55.01850	2.2
55.05506	3.5
56.05003	1.4
57.03435	13.9
58.57397	1.4
61.02912	7.4
67.05505	15.2
69.03413	21.8
69.07047	2.2
70.06576	3.2
71.04974	7.0
73.02901	2.5
76.56084	1.6
79.05473	8.9
79.13922	1.5
81.03395	24.8
81.07036	11.2
83.04942	4.2
84.31329	1.7
85.02890	100.0
87.04451	3.8
91.05457	2.4
92.09341	3.8
93.07002	7.1
94.06542	2.2
95.04967	13.3
97.02870	56.3
97.06515	12.1
99.04429	29.0
103.03922	43.7
105.07003	3.4
107.08546	1.8
108.08127	13.7
109.02852	25.7
109.06471	2.2
109.10136	1.8
110.05997	2.2
119.08587	3.1
121.10117	2.7
122.05999	14.8
124.07566	2.8
125.05960	8.0
126.05518	10.4
126.09140	2.1
127.03894	51.0
133.21152	1.8
134.33195	1.5
135.04387	1.7
136.07565	16.6
137.05949	6.6
140.07053	71.3
143.08636	2.2
145.04961	24.2
150.09103	14.8
152.07036	58.5
153.05484	3.2
154.08638	4.0
157.10118	2.7
163.03860	2.7
163.05992	3.0
164.07010	23.5
175.07341	1.7
178.08603	47.0
181.72833	1.9
182.08087	52.7
192.10216	7.1
205.08588	2.7
206.08093	89.5
213.12718	2.4
218.08240	2.1
220.09668	7.1
231.13811	7.5
236.09161	9.4
248.09108	25.9
249.11285	2.9
249.14749	3.1
266.10211	23.6
284.11063	6.2
433.68747	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76094	5.2
55.01880	7.6
55.05509	93.3
56.96564	6.1
57.03421	31.9
57.07068	54.3
67.05492	68.6
69.07056	80.6
70.96663	5.5
71.08630	28.1
79.05489	41.2
81.07041	100.0
83.04980	11.2
83.08607	53.4
85.10162	6.4
90.88721	6.2
91.05466	11.6
93.07001	50.5
95.04934	6.5
95.08593	97.5
97.06517	42.1
97.10155	40.0
107.08589	43.3
109.10147	31.3
111.08096	9.7
121.10121	48.5
125.09616	8.0
133.10158	6.5
135.11652	28.8
140.45920	6.1
147.11806	6.5
149.13252	15.1
163.14835	10.5
185.80322	6.9
213.02083	7.3
233.22604	9.7
261.22003	7.4
279.23178	9.2
295.22467	6.9
315.25284	75.7
353.27084	28.6
364.33829	7.5
371.27606	47.2
427.30560	14.8
445.31534	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84571	11.7
53.88610	11.2
54.39957	10.4
55.05513	16.6
67.05481	23.2
69.07049	28.9
79.05454	12.4
79.91896	12.4
81.07031	68.7
81.75985	11.6
83.08580	24.3
89.75372	11.1
89.76053	14.7
91.31463	15.0
95.08580	54.1
97.10162	13.9
98.61971	13.7
104.82698	12.0
109.10117	19.6
123.11676	62.9
135.80547	13.3
187.13300	100.0
211.90968	14.1
272.30856	13.0
343.95395	12.3
444.33466	26.9
465.40338	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	445.1747
Annotation	Petromurin C
Peak:m/z	Relative Intensity
55.05495	0.6
56.05014	0.5
56.96540	0.4
61.02914	0.4
67.05479	0.5
68.05015	0.3
69.03403	1.4
69.07037	0.5
70.06568	1.3
72.08134	4.8
73.02873	0.3
74.00611	0.6
76.03975	2.0
76.55875	0.3
84.04485	11.5
84.08109	0.7
85.02901	2.5
85.03997	2.1
86.09672	0.6
88.89421	0.3
91.05444	0.4
92.01649	0.6
93.05778	0.6
93.07022	0.3
94.06534	2.3
96.08167	0.4
98.97491	0.5
99.02665	2.7
99.05560	0.4
106.06515	0.7
107.04933	0.4
108.08121	2.3
109.08873	1.9
110.06001	1.4
110.09644	1.5
111.02657	0.5
112.02210	0.4
112.03923	0.3
113.04207	1.4
118.06487	1.5
119.07278	1.9
120.08069	1.4
121.02847	1.3
121.06454	0.6
122.06014	8.4
124.02140	0.7
124.07596	0.4
125.02962	0.8
126.03700	3.1
127.02146	1.3
127.04539	0.6
130.04964	3.9
131.04498	1.6
136.07561	1.7
137.04105	0.5
137.05995	1.6
137.08334	52.6
138.09103	6.5
140.05290	0.4
140.10687	1.4
142.06833	1.4
145.06097	0.4
152.05269	7.6
153.06528	0.4
159.02174	0.3
168.04683	0.4
170.06311	100.0
172.07848	1.6
172.37804	0.4
177.03244	4.5
180.04852	0.5
181.06084	0.5
183.11185	0.5
185.03773	2.2
196.07875	14.6
206.06351	1.4
213.10526	0.5
223.08919	2.9
224.07341	12.2
229.11736	0.5
231.04242	4.3
241.10069	3.5
279.11530	2.2
306.07489	0.4
306.96973	0.4
316.13171	8.7
346.03693	0.6
347.04132	0.6
365.05432	0.4
370.14236	0.5
445.17740	2.4
445.19064	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	445.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
56.96559	30.4
60.04919	0.5
68.71672	0.4
71.14769	0.4
71.95239	1.8
72.96016	2.8
73.66528	0.4
74.97594	0.4
77.02208	0.4
84.96007	0.7
87.99506	0.4
92.98646	0.6
95.08606	0.5
116.98518	0.6
128.96979	0.4
128.98610	0.9
143.00226	0.4
147.06844	0.5
148.72662	0.5
149.01265	0.5
159.99001	0.4
189.40027	0.5
199.06412	0.5
208.07132	0.4
224.55153	0.4
227.13110	0.6
250.07562	0.4
280.76981	0.5
281.17914	0.5
283.19446	0.5
286.67081	0.5
293.17770	7.6
297.17410	0.8
309.17255	1.0
311.18857	77.2
312.19284	0.7
315.18225	0.9
327.18317	3.1
329.19916	100.0
330.20276	2.0
334.20541	0.9
345.19321	2.0
347.20975	17.3
352.21597	3.9
373.30606	0.5
385.22549	11.1
403.23486	1.0
445.24759	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	444.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.5
57.03409	1.5
57.07066	4.7
59.04979	7.1
65.13469	1.2
67.05494	37.2
68.05819	1.0
69.07046	7.3
71.04977	7.6
71.08614	2.4
71.54796	1.1
79.05472	4.7
81.07038	40.0
81.12661	1.1
83.08602	21.8
85.06519	2.0
91.05467	2.2
93.07022	11.0
95.04972	1.7
95.08590	10.9
97.06510	1.4
97.10142	7.2
105.07014	2.2
107.08586	2.7
109.10139	100.0
111.08071	5.2
113.09634	2.0
121.10164	1.3
123.11678	55.4
127.11123	1.5
133.10104	18.3
134.60413	1.3
137.09612	5.6
151.11162	6.1
155.10597	1.9
169.12141	2.2
170.92412	1.2
173.11690	17.2
173.13060	1.7
176.75325	1.3
179.83978	1.1
187.13258	93.5
305.44040	1.3
307.55670	1.1
409.32648	1.6
430.75082	1.3
444.33557	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	444.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00502	1.3
54.42199	1.4
55.05509	14.3
57.07069	3.7
59.04990	3.6
67.05495	100.0
69.07056	13.4
71.04989	2.7
71.08625	1.5
79.05477	3.6
81.07036	20.9
83.08619	11.8
89.87289	1.5
91.05465	6.7
93.07047	6.0
95.08593	14.2
97.06512	1.5
97.10152	2.6
107.08580	6.6
109.10149	84.6
111.08065	3.7
119.08577	6.7
121.10194	1.9
126.23213	1.5
135.11665	2.9
137.09619	3.7
149.13330	2.0
155.10660	6.1
160.39241	1.4
173.11719	47.7
237.21913	1.7
255.23279	1.7
373.30890	2.0
409.32999	7.3
444.33551	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	444.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
54.81396	1.1
55.01864	7.6
55.05236	1.8
55.05504	39.4
57.03434	1.9
57.07080	1.4
67.05494	39.5
69.03408	2.3
69.07052	19.3
71.01331	2.2
71.04982	1.4
79.05475	39.6
81.03404	11.0
81.07037	39.0
83.04981	8.8
83.08606	28.2
85.02876	1.4
89.02377	3.2
91.05463	46.2
93.07017	39.0
95.04943	42.4
95.08577	31.3
97.06537	9.6
97.10159	6.1
98.97578	5.7
105.07009	51.5
107.04941	14.4
107.08581	26.2
109.06527	8.3
109.10131	11.2
111.08056	7.5
116.98586	3.1
117.06993	18.6
119.08556	37.7
121.06484	8.7
121.10115	21.2
123.08047	7.7
123.11698	2.0
125.09618	7.5
129.07019	6.4
131.08539	20.7
133.06418	1.2
133.10103	35.4
133.11049	2.2
134.99590	1.8
135.08028	8.7
135.11671	9.5
137.05969	2.3
137.09624	3.1
141.06993	1.9
143.08521	4.8
145.06511	2.5
145.10103	29.4
147.08067	2.9
147.11644	15.7
149.09595	38.0
151.11147	2.5
155.08490	2.7
157.10129	2.7
159.11668	16.2
161.09592	1.7
161.13190	2.9
163.11148	37.1
163.24573	1.4
165.12730	5.6
169.10104	5.1
171.11664	3.2
173.09480	3.8
173.13263	5.7
175.11192	2.1
177.12704	2.3
183.11674	5.1
185.13197	1.6
187.14735	1.7
189.11182	2.4
191.14188	1.7
223.13246	23.1
223.80768	1.4
229.19521	2.2
235.02800	2.1
239.18010	10.4
247.20592	2.2
251.06433	1.3
253.03850	2.7
257.18945	14.5
275.19983	100.0
293.21036	43.5
404.17084	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56022	0.6
53.03933	3.5
55.01854	5.0
55.05506	15.4
57.03428	2.8
57.07051	1.0
63.70288	0.7
65.03929	0.9
67.05493	33.1
69.03417	1.6
69.07052	15.7
71.01340	3.0
71.04974	3.2
79.05474	33.3
81.03408	5.5
81.07039	100.0
83.04970	4.9
83.08601	10.9
85.06509	2.5
91.05464	27.1
92.08679	0.9
93.07025	26.4
93.07574	1.4
95.04939	12.0
95.08586	24.4
97.06494	7.2
97.10164	1.0
99.08080	2.9
103.05454	1.4
105.07014	32.1
107.04928	11.7
107.08572	15.3
109.06502	20.9
109.10139	11.3
111.08080	4.4
117.06997	9.1
119.08553	25.5
121.06448	6.5
121.10125	10.9
123.08020	8.3
123.11676	6.2
125.09617	2.9
128.39859	0.8
129.06982	4.8
131.08546	12.9
133.06520	1.4
133.10107	19.1
135.08046	4.8
135.11707	5.7
137.05984	1.5
137.09602	5.0
141.06961	1.1
143.08522	1.6
145.10100	11.2
147.08057	1.3
147.11665	17.5
149.09593	9.3
149.13240	3.6
151.11162	2.9
157.10103	6.9
159.08031	0.8
159.11665	8.6
161.09669	1.1
161.13206	2.9
163.07468	0.9
163.11143	9.1
165.12674	5.0
169.10057	1.4
171.11707	3.3
173.09508	1.1
173.13243	4.1
175.11191	3.0
175.14754	1.1
177.12711	3.3
179.14320	0.7
187.11130	1.1
187.14819	0.7
189.12621	1.2
191.14188	1.2
193.12206	3.7
197.62234	0.7
207.13760	1.1
215.18037	0.8
229.19479	1.1
231.62654	0.7
239.17906	3.7
247.20538	3.5
257.18893	6.7
265.98468	0.8
275.20020	74.2
283.53784	0.8
290.63681	0.7
293.21072	29.8
311.21811	0.9
345.03937	0.7
363.21411	7.0
381.22794	0.8
391.21204	2.9
408.94354	0.8
409.22141	11.9
444.24356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1891
Annotation	Tyr Phe Asn
Peak:m/z	Relative Intensity
61.02920	0.3
67.05504	0.2
69.03415	0.3
70.06580	0.9
72.08141	0.4
74.25504	0.2
80.20692	0.2
81.07055	0.3
83.04951	0.2
84.04497	0.3
85.02889	0.8
85.06529	0.2
86.09665	0.4
91.05470	0.3
91.50836	0.2
93.07035	0.4
95.04953	0.3
97.06524	0.8
109.06542	0.2
119.08535	0.2
119.93668	0.2
120.08115	0.2
121.06507	0.2
133.10005	0.2
137.05992	1.0
142.01170	0.2
143.06963	0.2
147.04399	0.3
185.04253	0.3
193.56908	0.2
203.05283	1.2
243.24333	0.2
259.07867	1.3
281.13577	2.1
326.57065	0.2
443.18826	100.0
444.18878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
60.04504	0.3
60.05636	6.6
61.02942	0.2
66.17136	0.2
66.42480	0.3
69.03422	1.1
69.07054	7.9
70.06577	19.5
71.04968	1.6
72.04491	0.4
72.08147	3.0
72.60474	0.3
78.87148	0.2
81.03407	0.4
83.04979	0.4
84.04504	0.5
84.08131	0.5
85.02891	3.1
86.09689	100.0
87.10007	0.3
91.05458	0.3
92.08707	0.6
93.06993	0.3
97.02871	0.6
98.17429	0.3
98.97585	0.6
103.03929	0.3
105.07050	0.3
106.36910	0.3
107.04942	0.6
108.05240	0.3
112.08710	4.2
113.07130	0.3
114.10273	0.5
115.08685	3.2
116.07074	8.1
116.60609	0.3
116.98591	0.3
123.08012	0.4
124.07561	2.0
127.03909	0.5
128.10695	16.8
129.05484	0.5
130.05034	0.3
130.09714	2.6
131.04991	0.3
133.09700	0.6
137.05949	2.9
138.09100	4.2
145.04924	0.3
147.04401	1.5
148.04718	0.4
151.07469	0.5
156.10138	1.4
156.11285	7.5
156.12494	0.4
157.10794	0.4
158.09215	6.8
175.11865	14.5
178.12276	0.4
185.10298	0.4
190.12164	0.3
199.07526	0.3
199.18051	0.3
204.10231	0.4
206.11719	0.5
215.12332	0.3
218.11839	0.4
219.83682	0.3
233.12877	0.4
234.11330	2.2
237.02750	0.3
250.07883	0.5
251.13885	2.9
266.08121	0.6
269.18747	0.4
271.17587	5.5
281.14972	2.1
287.12909	0.3
288.20120	0.5
350.82300	0.3
425.28314	0.5
430.77271	0.3
443.17310	3.0
443.29675	59.1
444.29883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05502	2.5
57.03147	0.6
57.03427	12.0
57.07067	3.6
59.04980	0.7
60.05640	1.0
61.02914	1.0
63.04484	3.6
63.58388	0.4
69.03413	1.2
69.07063	0.8
70.06585	4.6
71.01346	0.5
71.04978	84.3
72.08132	0.9
73.02910	3.6
75.04465	6.5
83.04962	8.4
83.32426	0.4
85.02892	100.0
86.09693	21.3
87.04453	2.6
87.10027	3.3
89.23579	0.5
89.69487	0.5
97.02886	4.2
98.97553	0.4
99.04435	1.1
103.03920	0.9
109.02913	0.6
111.04420	4.9
112.08688	0.6
116.07060	1.9
119.10673	10.0
127.03904	3.1
128.10649	3.6
129.05461	25.5
145.04913	0.7
147.06522	14.0
156.11302	0.9
158.09277	0.7
164.09155	0.9
175.11938	2.5
180.47034	0.5
233.23645	0.5
255.08356	0.7
265.16531	3.9
271.17780	1.0
273.09540	0.6
309.11890	2.7
348.21600	0.5
377.84207	0.5
443.29651	6.7
444.30115	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	442.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04025	3.9
53.03941	5.1
54.81008	6.1
55.05496	20.3
57.03413	6.1
65.16740	4.3
67.05495	81.4
69.07052	22.0
70.54023	4.6
70.65977	4.2
71.04984	10.0
71.52031	4.3
78.71870	4.2
79.05486	50.6
81.03419	6.8
81.07043	100.0
83.04952	6.5
83.08610	22.5
85.06525	8.5
91.05465	42.5
93.07029	69.7
93.31834	4.9
95.05006	6.7
95.08572	43.7
97.06493	8.9
97.38979	4.2
105.07001	22.5
107.08597	38.9
109.10154	11.3
111.08071	8.3
117.06989	19.9
119.08561	27.0
121.06465	5.3
121.10123	27.8
121.79188	4.5
131.08530	26.3
133.10110	32.5
135.11646	29.7
145.10020	8.8
147.11658	6.5
149.13263	35.6
159.11635	26.9
195.13765	96.4
213.14787	71.8
262.70938	5.2
371.25443	9.1
389.26703	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	443.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03450	2.0
54.81452	0.4
55.04239	2.0
56.96545	0.3
57.03426	0.3
58.88269	0.3
61.02881	0.4
62.79214	0.3
69.03410	1.9
70.06569	0.3
72.08128	0.5
80.04998	0.8
81.03416	0.5
81.04525	21.4
82.05305	8.4
84.96028	0.4
85.02893	3.1
91.78981	0.3
97.02862	0.6
98.97540	0.4
100.51355	0.3
101.06005	0.7
108.05550	0.5
118.69701	0.3
122.07133	88.6
123.07912	100.0
137.05963	2.3
144.04799	0.8
152.06960	0.4
157.32298	0.4
160.04292	2.4
165.07713	4.7
172.04195	0.6
184.42055	0.4
202.18910	0.3
203.39285	0.3
237.06194	0.4
257.29407	0.3
281.10623	39.3
323.11633	0.4
401.12646	0.6
443.15881	48.3
463.41580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.191
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
50.93645	0.3
53.03933	0.5
55.01852	1.4
55.05502	1.6
57.03418	0.7
59.05001	0.3
61.02919	0.7
65.03905	0.4
67.05479	2.4
67.96869	0.3
69.03067	0.5
69.03414	7.7
69.74166	0.3
70.76947	0.4
71.04969	0.8
71.23055	0.3
79.05466	2.3
81.03385	0.8
81.07013	2.8
83.04955	1.8
85.02885	6.2
86.09723	0.4
87.04453	0.8
91.05453	4.1
93.07017	4.3
95.04926	1.9
95.08577	1.7
97.02853	3.2
97.06515	4.7
99.04416	0.7
105.07006	6.2
107.04926	0.7
107.08585	7.0
109.02855	2.3
109.06509	3.6
109.10130	0.6
111.04431	5.0
113.02377	0.4
115.05437	1.5
116.06117	0.4
117.06987	2.9
119.08561	9.8
121.06470	5.8
121.10184	0.4
123.04379	3.2
123.08054	3.5
127.03912	0.6
128.06192	2.2
129.06964	3.2
130.07776	0.5
131.08534	6.7
131.88251	0.3
133.06456	2.0
133.10103	2.1
135.08028	100.0
136.08418	0.6
137.05956	2.0
139.07521	0.8
141.06927	2.3
142.07726	3.3
143.08516	4.6
144.09320	3.9
145.06454	2.7
145.10123	4.3
147.08029	4.3
147.11652	1.6
149.05978	1.6
149.09642	0.5
151.07536	3.7
153.07033	0.5
154.07727	0.6
155.08542	1.8
156.09326	8.3
157.06522	0.7
157.10092	3.6
158.07195	3.7
158.10942	0.4
159.08023	9.8
159.11665	16.7
160.08792	0.8
161.05977	1.6
161.09550	2.9
161.13187	0.4
163.07506	1.7
165.06952	0.8
165.09090	0.5
166.07744	1.8
168.09143	0.4
169.06519	1.2
169.10072	3.2
170.07262	0.5
170.10861	1.4
171.08020	0.9
171.11647	4.8
172.08791	12.7
172.10202	0.5
173.09576	24.9
173.13196	0.7
174.10281	0.4
175.07497	2.8
175.11081	3.1
177.09148	0.4
179.08548	0.5
181.10112	1.6
182.07248	0.5
184.08713	3.9
185.09517	3.2
187.07579	1.6
187.11143	49.5
188.08296	0.7
189.05450	0.4
189.09114	0.6
189.12674	1.7
191.07056	0.7
191.10651	0.5
197.09505	2.6
199.07542	0.5
199.11145	10.2
200.08264	0.4
203.10634	13.2
205.12175	0.6
209.09612	0.6
212.08273	2.2
215.10645	24.3
217.12167	6.8
227.10625	6.8
228.64120	0.4
233.11678	32.2
235.13460	0.4
245.11664	21.8
246.14775	0.8
246.65103	0.7
263.12726	22.0
351.19650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
55.22426	0.6
67.08266	0.6
79.05473	1.3
85.02898	1.2
86.09681	0.8
93.07039	0.6
93.63276	0.7
96.08115	5.6
110.06037	2.3
111.24375	0.6
117.05499	0.6
124.07566	27.4
127.03886	0.6
138.09125	10.7
158.61530	0.5
166.08612	3.1
168.30206	0.6
175.08635	1.3
175.31973	0.6
176.09346	0.8
187.08638	1.2
189.10234	1.2
199.08643	0.8
201.06534	5.6
202.07372	8.6
207.11317	2.2
211.08586	0.7
212.09421	0.8
213.10197	4.6
215.08165	3.4
216.08951	2.7
217.09683	37.4
218.08061	1.4
225.06656	0.6
231.11243	3.5
232.09789	0.8
233.09235	3.8
234.02206	0.5
234.10011	4.2
235.10735	17.9
235.12917	1.1
241.09686	5.5
243.07654	2.7
244.08539	1.0
245.09071	0.6
257.09195	10.4
259.10715	31.3
260.07956	3.6
261.08652	82.3
262.08975	1.0
273.12372	2.8
275.10312	0.7
277.11789	19.1
285.08630	19.8
303.09695	100.0
304.10071	2.7
358.93805	0.6
375.46878	0.7
382.17480	0.9
400.18393	2.8
442.19626	87.3
443.19858	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	442.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.05498	1.5
55.63049	0.7
57.03419	3.3
61.02908	4.5
64.32988	0.7
67.05499	0.7
69.03421	15.4
70.06583	5.9
71.04969	6.2
72.08125	1.8
73.02900	4.3
75.32931	0.9
77.74617	0.7
79.05475	0.8
81.03403	20.2
81.07043	1.7
83.04955	1.3
84.04491	1.1
84.08123	1.1
85.02889	78.8
86.09694	4.4
87.04445	1.2
91.05459	1.4
95.04891	0.9
95.08572	1.2
97.02875	36.4
98.09645	1.0
99.03777	1.3
99.03955	1.3
99.04433	60.1
103.03922	96.6
103.89798	0.8
107.04916	0.8
109.02869	19.7
109.10131	0.7
110.09657	3.9
115.03937	1.1
119.04908	1.0
120.08164	1.3
124.07572	1.4
127.03890	100.0
136.07544	1.0
137.05971	3.2
145.04942	40.4
145.06094	1.4
147.04420	1.4
147.66605	0.8
159.07971	0.9
161.05988	0.9
163.05978	36.3
164.10663	12.9
187.06065	3.2
213.03534	0.8
259.14423	0.8
271.08047	5.9
289.09229	5.5
307.10159	12.4
443.18619	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	442.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
53.60946	0.7
55.01857	3.2
55.05506	31.8
55.13873	0.7
57.03422	8.2
59.04990	1.9
61.02917	7.6
65.64555	0.8
67.05502	15.4
69.03416	7.5
69.07053	6.4
70.06567	1.3
71.04952	1.8
72.08152	3.5
73.02890	1.7
79.05493	10.4
80.55859	0.8
80.74645	0.8
81.03407	4.0
81.07038	9.4
83.04957	1.5
83.08608	30.1
84.08170	0.9
85.02883	16.0
85.06503	1.1
86.09715	1.2
87.04475	1.2
91.03916	1.5
91.05471	2.2
93.07040	5.2
97.02881	5.3
97.06526	1.1
97.10153	68.8
99.04446	7.1
101.09683	1.3
103.03925	13.5
107.08599	16.5
109.02905	3.6
109.10173	4.0
111.08080	1.5
119.08607	1.2
121.06410	0.9
125.09615	65.2
127.03899	12.5
134.05812	0.8
135.08011	3.7
143.10654	1.9
145.04950	5.7
147.04366	1.4
151.03899	1.2
153.09119	4.4
163.05969	2.2
167.94820	0.9
171.10164	4.9
189.11200	47.1
192.64987	0.9
227.10506	2.1
227.12753	65.8
232.06157	0.9
245.13794	100.0
246.14122	1.2
256.34406	1.0
263.14832	1.8
296.14468	0.9
301.16205	1.0
312.61600	0.9
313.50961	1.0
364.59598	1.0
407.19202	1.7
445.93158	1.0
456.34598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
53.33704	0.3
55.01851	0.5
55.05480	0.4
56.05015	0.8
60.04512	1.4
61.02898	0.4
67.05473	0.3
68.05016	0.4
68.14137	0.3
69.03413	2.3
70.06579	0.6
72.04490	0.5
72.06316	0.3
72.08115	0.3
79.05482	3.6
80.05007	1.3
81.03392	4.4
81.07045	0.6
83.04960	0.6
84.04495	7.7
85.02897	0.7
85.06487	0.5
91.05457	0.3
93.07023	0.8
95.04948	0.7
95.08575	0.8
96.04467	14.8
97.02872	4.4
98.06040	10.0
98.97553	0.5
99.04422	1.5
103.05433	3.0
105.06997	0.8
107.04939	27.5
108.04444	0.8
109.02874	4.3
113.05997	0.4
114.05511	0.5
116.98615	0.6
119.08539	0.5
120.08083	59.8
124.03928	0.4
126.05491	19.9
127.03905	2.3
128.98555	0.5
131.04884	4.0
138.05481	100.0
144.06541	20.8
149.05974	6.6
161.13086	0.4
165.12776	0.5
166.08607	16.7
168.06528	11.9
170.08786	0.4
177.00708	0.4
186.07588	14.1
201.00600	0.5
207.13850	2.3
208.14095	0.6
219.05257	0.4
225.14742	0.6
261.02786	0.6
276.10745	24.7
362.57571	0.4
384.93188	0.3
388.91904	0.4
455.03561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14425	0.3
53.03921	0.6
55.01841	0.6
55.05503	7.1
56.25275	0.3
57.03431	0.7
61.02911	2.1
65.38999	0.3
69.03412	8.4
70.06577	0.7
73.31732	0.4
75.56801	0.4
81.03393	1.8
82.41071	0.4
83.04965	100.0
84.05317	0.4
85.02887	14.0
91.03944	0.7
92.08722	0.8
97.02868	6.0
99.04410	0.5
101.05972	3.4
109.02892	2.6
113.05988	0.6
127.03903	5.1
129.05510	0.7
133.06577	0.5
137.05948	0.9
145.04967	2.1
161.45660	0.4
227.09166	2.5
245.10132	21.1
407.15256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56604	0.6
55.01857	2.2
55.05309	0.5
55.05505	8.5
56.05014	2.7
67.05492	9.6
67.26859	0.5
69.07043	3.7
69.77176	0.6
72.81357	0.7
73.49641	0.5
76.56184	0.7
78.34014	0.6
79.05484	9.1
81.03391	1.1
81.07029	7.9
83.04949	2.2
83.08608	5.3
84.04489	100.0
84.82524	0.6
85.02898	1.4
86.96182	0.7
91.05471	8.9
93.07018	8.8
95.04943	15.3
95.08579	6.4
97.06493	3.3
97.10139	1.5
102.05520	27.2
102.06203	0.9
105.07014	10.0
107.04966	4.6
107.08607	5.5
109.06505	1.5
109.10139	1.4
111.08084	1.0
112.65275	0.5
117.06997	2.6
119.08574	6.2
121.06474	2.5
121.10109	3.6
129.07053	1.0
130.04977	39.6
131.08504	4.4
133.10049	4.7
135.11644	1.2
145.10052	5.1
147.08069	1.1
147.11560	1.0
148.06024	37.9
149.09567	7.4
152.12994	0.7
156.81990	0.6
159.11636	2.5
161.13219	0.7
163.11134	8.0
167.97897	0.6
169.10118	0.8
175.11237	0.9
187.11188	0.9
189.11165	0.8
223.13269	3.6
238.91106	0.6
239.18002	0.8
257.19037	1.4
275.19934	7.6
293.21069	7.6
330.84845	0.6
352.28067	0.6
385.01437	0.7
394.95248	0.6
440.26300	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24297	0.6
52.50330	0.7
55.05493	0.9
56.96546	0.7
57.03428	0.7
69.03394	1.4
70.06571	3.7
72.08141	2.9
81.03394	0.8
84.04465	0.8
84.96040	1.1
85.02892	4.9
87.70748	0.7
88.27036	0.6
97.02859	1.3
98.97552	1.8
103.03966	1.0
110.97572	1.3
116.98585	1.1
119.04942	0.8
121.06487	0.7
121.10154	0.8
127.03910	1.1
135.50775	0.7
146.99660	1.2
147.04427	1.1
158.99611	0.9
189.00636	0.8
201.00621	0.8
219.01701	1.2
230.09029	1.2
237.00720	0.9
237.02882	1.0
261.02649	1.4
278.11197	3.7
279.11993	17.2
369.81268	0.9
379.69489	0.8
423.09393	0.9
441.17215	100.0
461.88931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63569	0.3
54.81981	0.3
55.01874	0.6
55.05495	2.2
56.05025	4.3
61.61112	0.3
67.05492	7.2
68.48335	0.3
69.07061	3.0
76.56508	0.3
79.05464	5.6
81.07033	15.2
83.04990	0.6
83.08587	1.5
84.04488	100.0
87.93166	0.3
91.05466	5.0
93.07021	4.2
94.81847	0.3
95.04934	1.5
95.08579	4.3
97.06518	1.3
102.05512	4.3
103.32138	0.3
105.07021	6.3
107.04930	1.5
107.08549	2.7
109.06500	3.5
109.10156	1.4
111.08084	0.7
117.06984	1.5
119.08553	4.2
121.06495	0.7
121.10137	2.1
123.08061	1.4
123.11710	0.7
129.06995	0.4
130.04976	47.2
131.08542	2.3
133.10072	2.5
135.08023	0.5
135.11638	0.6
145.10118	1.6
147.11691	2.6
148.06029	3.3
149.09659	1.4
149.13216	0.4
151.11208	0.4
159.11723	0.6
161.13304	0.5
163.11107	0.7
165.12784	0.4
175.11160	0.6
199.49376	0.3
239.17822	0.4
257.12469	0.4
257.18878	0.5
275.20013	8.9
293.20993	3.8
394.25925	2.2
410.71805	0.4
419.27444	0.3
419.86929	0.4
438.66922	0.4
440.26410	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	439.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93527	1.9
62.15808	0.7
71.92986	1.2
72.93779	4.9
73.93803	0.9
81.24613	0.7
90.94818	3.3
105.93520	1.4
117.04019	1.3
119.01921	5.4
133.03471	0.9
145.03462	5.3
145.96652	0.9
149.96158	1.3
150.96870	1.2
163.04608	2.9
167.03223	1.0
169.03418	1.2
187.04538	3.0
189.02425	1.5
191.97095	1.1
195.01410	1.0
213.02370	3.8
215.01610	54.6
229.03162	16.8
247.04210	100.0
259.88080	0.8
278.58624	0.7
301.00433	1.1
311.50922	0.8
361.02536	3.9
439.14154	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	440.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84447	0.2
57.03428	0.2
64.32880	0.2
67.05473	0.5
71.04942	0.2
74.64483	0.3
85.02847	0.3
91.05470	0.4
92.44222	0.2
94.06526	0.3
105.06984	0.5
108.65932	0.2
122.05971	1.2
136.07555	0.5
137.05954	1.0
138.09073	1.2
161.38850	0.2
171.09149	0.5
173.07083	0.4
179.14447	0.2
180.05261	0.2
183.09079	0.3
184.06465	0.4
187.08624	2.0
189.10178	0.5
197.07080	0.4
198.07874	1.4
199.08517	0.3
200.09410	1.4
201.06532	5.8
201.10303	0.4
202.07335	11.0
211.08678	0.9
212.09372	1.3
213.10155	2.0
215.08124	2.8
217.07587	0.5
217.09692	14.0
225.06549	0.3
226.07283	1.2
229.09621	0.5
231.11435	0.4
233.09184	1.1
235.10748	1.3
239.08099	0.5
241.09671	1.5
243.07611	1.3
244.08475	1.5
253.11328	0.3
257.06436	0.4
257.09122	10.5
259.10764	3.4
260.07880	3.0
261.08640	59.8
271.10760	0.3
275.10190	0.3
277.11752	2.1
285.08636	20.7
303.09689	100.0
304.09888	0.4
410.20721	0.6
440.18039	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	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.5
55.01862	3.3
55.05508	5.3
57.07067	11.8
61.09177	3.2
67.05482	18.7
69.03413	7.1
69.07037	5.7
70.06569	31.7
71.04983	3.0
76.02197	5.3
76.23150	3.3
79.05460	6.0
81.03394	52.2
81.07034	41.1
83.04959	6.7
83.08610	5.0
85.02892	20.3
85.06520	37.9
87.04438	5.9
91.05463	5.9
93.07011	14.0
95.04956	38.0
95.08575	34.6
97.02869	4.3
97.06521	3.6
98.97567	4.3
99.04422	4.6
105.07014	42.4
107.04938	28.3
107.08573	25.0
109.06514	4.9
109.10154	5.0
113.05981	27.8
115.03922	4.9
116.07068	48.2
119.04922	12.0
119.08542	35.1
121.10110	35.5
123.08042	12.5
123.11683	3.6
125.05962	3.2
131.04959	3.3
131.08537	11.6
131.60469	3.0
134.06033	3.4
136.07547	18.7
137.05925	4.0
139.11172	18.0
145.10066	3.2
147.11722	13.5
149.09595	5.9
151.07477	4.8
161.13229	19.2
163.11215	3.7
165.12732	40.3
169.08563	4.1
172.63899	2.8
179.14417	3.9
189.12718	4.5
197.15431	4.4
207.13741	100.0
225.14861	18.3
243.15871	19.9
302.36984	3.1
401.51007	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	438.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66274	4.9
52.18063	4.4
53.03969	4.7
55.01859	8.7
55.05506	99.9
55.51655	5.2
67.05484	30.7
69.03423	8.1
69.07042	14.5
79.05465	43.9
81.07021	43.0
83.04954	5.8
83.08591	57.5
85.02888	6.4
91.03786	4.6
91.05453	27.2
93.07001	14.6
95.04925	7.5
95.08578	12.3
97.10149	100.0
105.07014	53.9
107.08559	33.0
117.06974	35.7
119.08539	25.1
125.09602	61.2
129.06958	9.2
131.08566	25.1
135.08063	6.9
143.08537	6.7
145.06442	13.6
147.08054	6.6
149.02354	55.8
155.08514	10.5
155.09676	7.5
157.06387	6.3
159.08057	7.3
169.10014	7.1
187.14680	11.1
189.11185	40.8
193.04932	43.9
206.91194	6.3
215.14317	39.4
233.15309	12.7
349.21448	13.4
367.22592	36.9
382.06204	6.9
385.23630	48.7
388.20926	6.9
403.24631	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	438.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13943	2.1
54.84864	2.0
55.05504	21.2
57.06816	3.4
57.07059	23.4
67.05486	23.2
69.07050	22.7
71.08616	13.0
74.12592	2.4
78.76347	2.2
79.05475	24.8
81.07032	30.5
83.04964	10.7
83.08586	10.2
85.10176	5.6
89.06014	40.2
91.05456	20.4
93.07019	23.0
95.04940	4.2
95.08560	21.3
102.75256	2.6
105.07020	32.1
107.04948	3.6
107.08569	25.8
109.06512	6.4
109.10124	3.7
119.08555	11.3
121.06477	10.3
121.10154	15.3
123.08116	3.9
131.08546	10.7
133.06519	4.0
133.08575	13.5
133.10129	14.0
135.11665	4.1
137.09659	2.9
145.10118	9.9
147.11664	10.5
149.09651	3.0
157.10110	2.6
159.07985	3.5
159.11650	6.1
162.81778	2.3
163.11182	4.8
175.11050	2.9
179.54715	3.1
191.14299	3.2
239.14891	12.6
257.18903	4.6
275.20013	100.0
293.21121	12.6
349.37021	2.6
421.29373	21.2
421.34933	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	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77618	0.3
54.05903	0.4
55.01861	0.8
55.05515	3.3
57.03431	13.5
59.05013	0.4
59.65897	0.4
61.02911	2.2
65.73357	0.4
67.05489	3.7
69.03410	3.7
69.07051	0.7
71.01326	0.9
71.04977	77.3
71.28795	0.4
72.08112	0.6
73.02903	3.7
74.00642	2.6
75.04456	5.1
76.79552	0.4
79.05467	2.8
81.03400	2.7
81.07034	0.9
83.04969	9.0
84.04494	1.1
85.02890	100.0
87.04463	2.8
91.20710	0.4
93.07001	3.6
95.04887	0.5
95.08585	23.5
97.02859	3.7
97.06486	0.6
99.04442	3.0
100.02163	0.5
101.06064	0.4
103.03913	1.9
103.05497	0.5
105.07039	1.9
107.08615	1.1
109.02877	0.8
109.06508	0.5
111.04433	4.3
113.09633	4.1
118.99814	0.5
119.08544	1.0
121.10091	4.0
123.08071	0.6
127.03916	3.5
129.05455	26.2
131.04857	0.6
131.08565	1.9
145.04921	2.1
147.04459	1.1
147.06494	11.4
149.09637	2.7
161.09575	0.5
163.06056	0.7
164.09212	3.4
167.10611	0.8
177.03288	0.6
221.80925	0.6
223.13289	0.6
226.39165	0.5
241.14275	5.1
255.08653	1.0
273.09778	1.8
276.15894	0.5
291.08224	1.0
309.11777	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	438.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95342	0.6
53.03940	0.8
55.01872	1.0
55.05503	4.8
57.03429	45.1
61.02909	5.2
61.58116	0.5
61.71924	0.6
62.29268	0.6
64.32962	0.5
67.05492	10.1
69.03410	1.4
69.07048	3.3
71.01342	9.1
71.04990	1.6
73.02900	3.1
79.05476	31.6
81.03397	5.2
81.07037	8.8
83.04968	5.3
83.08598	14.4
83.43334	0.6
83.71459	0.6
85.02892	6.9
88.91649	0.7
91.03947	2.6
91.04524	0.6
91.05457	5.4
92.08652	1.7
93.07020	43.4
95.04916	1.1
95.08582	10.3
97.02910	2.5
97.06549	0.9
97.10113	0.8
103.03960	1.2
105.07011	3.6
107.04958	1.2
107.08578	6.3
111.08078	0.7
119.04956	0.8
119.08569	1.3
120.05254	0.8
121.10120	48.3
123.08031	1.3
124.00751	0.7
131.08527	6.1
137.05959	3.3
139.11160	16.8
141.43379	0.7
147.04398	4.0
148.04744	2.8
149.09612	8.7
150.05252	0.6
153.01830	6.7
154.02173	5.1
155.02290	3.3
156.02577	0.7
167.10641	13.1
241.14330	100.0
242.14900	0.7
259.15448	1.1
273.07474	1.2
274.07886	4.6
275.08206	3.5
276.08325	5.2
276.15576	0.8
364.20114	3.9
378.20673	1.4
408.19370	1.2
435.88892	0.7
438.19940	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	438.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89248	0.1
54.81309	0.2
57.03406	0.3
64.03868	0.1
67.05477	0.3
67.65168	0.2
69.03405	0.2
70.06548	0.2
79.05444	0.9
81.03382	0.3
81.07009	0.3
83.04961	0.2
93.06995	1.3
93.97455	0.2
94.06525	0.2
95.08569	0.6
97.06513	0.2
104.46551	0.1
105.06897	0.2
107.08551	0.3
117.06968	0.2
121.10133	1.5
124.07510	0.2
131.08551	0.4
136.07529	0.7
137.05927	0.2
149.09602	1.2
152.28445	0.1
154.08595	0.3
162.08890	0.1
164.10619	0.2
167.10609	0.2
184.09935	0.2
199.12303	3.6
200.09392	1.6
201.10175	0.8
213.10358	0.2
225.10204	1.6
226.10950	2.6
227.11728	0.2
239.11632	0.3
240.12526	4.1
241.13290	100.0
242.13580	0.9
292.14404	0.2
306.16000	0.2
318.12527	0.2
318.15906	0.4
320.17480	0.7
332.13773	2.1
333.14609	1.0
334.15674	0.2
334.19052	1.6
346.15591	2.1
347.16220	2.3
348.16956	0.7
362.18536	7.5
363.19153	0.4
364.20114	30.7
365.20560	0.3
407.18411	1.0
408.19095	14.6
409.19287	0.2
438.20135	33.2
439.20459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30413	0.5
54.57744	0.5
55.01856	0.7
55.05508	1.0
57.03432	1.6
60.18461	0.6
61.02914	3.4
67.05495	2.7
69.03419	7.2
69.07034	0.8
71.04974	1.1
73.02889	1.2
75.91226	0.6
78.23642	0.7
79.41172	0.6
81.03412	4.4
81.07072	0.6
83.04974	0.7
83.08642	0.8
85.02890	26.2
86.41128	0.7
91.05478	5.1
93.07032	2.9
95.01311	8.3
95.04945	1.6
95.08572	1.0
97.02875	6.1
97.84167	0.6
99.04442	1.4
103.03937	1.0
103.05486	1.2
105.07037	1.2
107.04945	27.1
107.08693	0.8
109.02852	1.6
109.10141	1.4
113.02357	0.8
119.04920	60.8
119.08525	1.2
120.05295	0.8
121.02863	0.9
121.06483	8.6
121.10147	0.8
127.03889	4.2
131.04897	0.8
135.04398	3.5
137.05984	1.5
145.04941	3.0
147.04395	100.0
148.04739	0.7
165.05440	10.2
173.11714	0.8
193.12195	0.9
223.07539	1.6
241.08548	59.2
259.09628	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	438.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88066	1.7
53.47887	1.5
55.01871	2.5
55.05494	3.1
57.03421	18.2
66.95113	1.9
67.05491	3.8
69.03408	12.4
70.06565	3.9
71.04976	88.1
72.08136	3.3
73.02901	3.4
74.66347	1.7
75.04454	2.5
79.05447	3.8
81.03402	4.4
81.07045	8.3
83.04959	13.2
83.08615	1.6
84.04474	8.1
85.02892	100.0
85.06535	3.0
86.09685	2.7
87.04488	2.9
91.03050	1.8
91.05474	3.6
91.76088	1.9
93.06982	2.2
95.04946	45.6
97.02868	7.6
103.03912	7.5
105.07000	11.7
106.07343	3.3
107.04951	4.4
107.08608	7.6
109.06519	8.4
109.10138	3.6
111.04423	3.5
113.05975	10.3
119.08539	11.5
121.06505	2.5
121.10107	8.2
125.05958	10.8
127.03883	3.8
129.05447	20.9
137.05986	13.0
137.09523	2.5
139.11180	11.8
145.10118	3.5
147.06480	11.0
147.11650	13.1
148.12019	4.2
155.07007	10.4
164.09090	3.0
177.05531	2.4
179.07001	3.0
223.09686	2.1
223.13275	7.5
235.13695	2.1
241.10817	2.9
241.14259	3.5
259.15402	10.9
289.37250	2.0
368.57843	2.0
389.20071	2.0
449.66290	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	438.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81628	1.7
55.01876	3.1
56.05022	8.2
57.03404	2.9
57.55391	1.8
58.99579	16.2
61.01138	4.4
64.33390	1.8
66.35423	2.0
67.05489	4.7
68.05021	2.8
69.03409	8.7
69.07045	2.0
70.02935	4.0
70.06596	2.7
71.04977	4.1
72.04491	4.1
73.85052	2.2
74.00651	3.9
76.02206	15.3
76.03994	3.4
79.05474	9.0
80.04993	3.9
81.03383	2.3
81.05782	2.1
83.04996	3.8
83.06065	2.4
84.04491	100.0
85.01112	37.3
85.02887	16.2
85.04027	3.2
86.00642	35.9
86.99038	64.7
87.04448	2.3
87.63234	2.1
87.64300	1.9
88.02164	2.6
91.05478	19.7
93.07040	8.7
95.04952	2.9
97.01100	3.3
97.02876	4.8
97.06496	12.8
98.00629	2.1
102.03746	18.0
102.05504	9.1
103.05408	2.0
103.94502	2.2
105.07027	19.2
107.04967	2.9
107.08570	4.1
108.04446	3.4
109.06490	3.7
109.07616	3.6
112.02158	28.8
113.00545	2.7
114.03739	8.5
115.05441	2.7
116.01657	23.4
117.06995	30.5
119.01185	1.9
119.04922	2.9
119.08553	12.1
121.06433	9.2
121.10139	3.7
123.08060	2.3
125.09544	2.2
126.03722	3.8
127.02102	3.2
128.06226	2.4
129.06560	3.6
130.03189	11.7
130.04942	20.7
131.08571	4.8
133.06454	15.0
133.10114	3.6
135.08104	7.5
137.05971	2.9
137.08308	4.0
137.09518	4.1
141.45445	2.0
142.03201	17.6
142.06757	2.2
143.02711	34.7
143.08582	3.7
144.01141	3.1
144.04767	11.0
145.06467	14.3
145.10123	13.3
147.08022	46.2
149.09589	3.3
153.06557	3.4
155.08243	2.9
158.02742	3.9
159.08035	3.9
161.09590	54.0
163.07500	30.7
163.11127	9.5
168.04764	2.1
169.04309	4.3
170.06288	3.5
171.02286	2.6
173.09584	18.6
175.11189	9.0
179.10643	19.4
181.06129	2.5
187.11119	3.4
189.03246	58.8
191.10683	20.1
193.12236	13.2
196.04245	11.0
205.12314	3.1
209.11688	37.8
215.04843	26.4
217.03003	2.1
223.13264	3.4
224.03769	3.1
233.05963	9.2
241.14302	11.1
244.80035	2.3
247.34050	2.3
259.07770	2.7
259.15366	3.3
287.06927	9.1
291.10052	9.9
306.09854	2.2
362.10013	3.4
438.15326	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	438.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63633	2.5
55.01868	4.7
55.05500	2.5
56.05036	2.9
58.99569	11.8
64.42658	2.5
65.13528	3.1
67.05501	5.0
68.05018	2.8
69.03432	5.4
70.02941	5.2
71.04954	2.7
72.04504	4.7
74.00639	5.0
76.02203	15.1
76.03968	3.3
79.05484	6.3
80.05022	3.3
81.03397	12.1
81.05772	2.7
82.72236	2.4
83.04954	2.6
83.06110	4.5
83.20266	3.1
84.04490	100.0
85.01117	31.2
85.02901	12.2
85.06511	4.4
86.00639	32.3
86.99041	80.5
88.84816	2.6
91.05460	18.4
92.08657	3.1
93.07012	11.9
95.04964	5.9
95.08583	3.2
97.01089	5.6
97.06519	11.9
98.00590	3.0
102.03747	14.0
102.05535	5.7
105.07016	12.2
105.65225	2.8
107.04943	5.1
107.08577	4.7
108.04482	3.3
109.07600	3.7
109.10150	2.9
112.02197	30.7
114.03715	4.3
116.01646	21.8
117.07011	29.5
119.08544	14.9
121.06467	11.9
123.11688	3.3
127.02133	5.1
130.03235	13.7
130.05013	21.8
131.04889	3.5
133.06468	18.8
135.08060	11.8
135.11711	3.3
137.05994	5.7
137.09604	4.5
142.03201	14.5
143.02728	32.2
143.08519	3.1
145.06490	11.0
145.10115	15.2
147.08041	44.8
149.09555	3.5
155.08136	3.6
158.02705	3.2
161.09604	47.7
162.02138	4.3
163.07497	26.8
163.11198	6.1
165.09114	4.4
168.04753	4.0
168.06659	3.3
169.04338	2.9
170.06303	5.7
171.02327	4.2
173.09607	18.3
177.03172	3.4
179.10663	15.9
187.11150	4.2
189.03261	62.0
191.10735	22.6
193.12186	6.7
196.04243	4.5
205.06540	3.9
209.11742	29.1
215.04817	21.0
217.06367	3.0
223.13289	10.8
233.05919	7.0
241.14363	4.4
241.68871	2.6
259.15555	3.7
287.07004	11.9
291.10065	13.4
362.09973	4.7
438.15216	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	437.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00118	0.3
51.88476	0.3
53.03926	0.4
54.35858	0.3
55.01851	0.4
55.93508	1.7
56.96544	0.6
57.03432	3.5
61.02913	0.7
65.09412	0.3
67.42093	0.3
69.03414	10.4
70.06573	0.3
71.92986	0.6
72.08130	0.7
72.51899	0.3
72.93768	2.4
73.02876	0.4
75.04471	0.7
78.65553	0.4
81.03419	1.4
83.01311	0.4
84.08136	0.6
85.02890	10.2
87.04447	3.4
89.94065	0.4
90.94817	2.9
94.16518	0.3
97.02869	26.1
98.07686	0.4
98.75755	0.3
98.97573	0.4
105.93520	0.5
107.04951	0.5
107.95045	0.8
109.02869	0.9
115.03886	2.8
116.98566	0.5
121.06521	0.7
123.94517	0.6
125.02328	100.0
125.96107	1.5
126.06568	0.4
127.03875	0.5
133.04958	0.9
137.05981	0.6
143.03378	61.2
145.96642	0.6
147.04431	0.8
149.96112	2.2
150.96890	1.3
161.96042	0.7
163.97661	1.4
165.99178	0.8
167.97162	1.6
177.00766	0.6
186.99013	0.4
191.02153	0.4
191.97202	0.4
205.00243	0.5
205.94923	0.5
219.01723	0.6
219.96718	0.7
249.58475	0.4
305.08624	2.4
316.10214	0.5
393.98416	0.5
437.16229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2508
Annotation	Tyr Val Arg
Peak:m/z	Relative Intensity
54.81487	1.4
55.05502	8.8
57.07051	3.3
65.46593	1.5
67.05491	6.2
69.07053	12.5
71.08610	2.7
72.03364	1.3
75.10748	1.5
79.05470	1.8
80.61991	1.3
81.07038	7.8
83.08592	3.4
88.11330	1.5
92.08629	4.1
93.07054	2.6
95.08604	7.4
97.06512	2.0
97.10153	2.4
98.98471	2.8
105.07030	7.7
107.08517	2.5
109.10152	2.7
133.06464	6.2
135.11690	1.7
137.05959	11.3
145.10071	1.7
165.09172	2.7
219.21028	2.8
314.16916	1.5
316.01041	1.5
339.29034	2.8
393.26041	8.4
437.25049	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	437.2662
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
50.78879	0.6
51.70661	0.6
53.00312	0.6
55.05507	39.1
55.64587	0.7
57.03169	1.0
57.03429	20.6
57.07067	18.2
57.49236	0.7
64.71370	0.7
66.92757	0.7
67.05494	25.1
69.07056	49.7
71.04991	1.2
71.08611	6.5
79.05482	12.7
81.07039	30.5
83.05024	0.8
83.08607	36.3
85.06527	1.6
85.10160	4.9
90.53529	0.8
91.05474	1.1
93.07023	17.9
95.08585	28.2
97.06554	5.8
97.10155	19.3
97.10756	1.3
98.98448	63.7
99.08089	1.3
105.06969	2.7
107.08564	10.9
109.10149	12.1
111.08082	3.5
111.11701	5.2
116.99495	1.4
121.10110	14.9
123.11687	3.5
125.09618	1.4
133.06477	1.9
135.11682	11.8
137.05968	4.6
139.11171	1.4
149.13217	5.2
155.01030	32.8
156.95407	0.8
163.14856	1.0
173.02098	3.2
177.16261	0.9
198.96500	0.7
210.34750	0.7
219.20987	1.2
244.16174	0.7
247.24173	5.1
265.25183	11.9
339.28888	100.0
340.29425	1.0
354.35226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05499	5.3
57.03426	10.9
57.07056	1.3
58.55056	0.6
59.04993	1.3
61.02900	3.4
67.05492	6.7
69.03067	1.1
69.03413	20.6
69.07048	7.0
70.06578	1.4
71.04980	1.8
75.04464	8.0
79.05461	4.3
81.03413	1.3
81.07034	9.8
83.04961	16.8
83.08576	1.6
85.02424	1.4
85.02888	24.0
85.06525	1.6
87.04439	9.9
91.05450	12.8
93.07018	8.7
94.62270	0.7
95.04951	7.7
95.08574	8.1
97.02872	13.7
97.06478	2.9
99.04419	1.2
102.46363	0.7
105.07008	58.7
107.04906	1.5
107.08574	10.2
109.06499	11.9
109.10142	11.0
111.04395	1.1
112.56203	0.6
113.76973	0.7
115.03906	9.8
117.07013	3.6
119.04932	1.4
119.08559	49.2
120.08018	0.7
121.06507	3.1
121.10102	8.3
123.08028	3.4
123.11700	8.5
125.05943	4.4
127.03882	4.5
130.07722	1.0
131.08548	7.8
133.04950	7.8
133.06444	8.5
133.10114	9.7
135.04361	0.9
135.08005	8.3
135.11685	1.7
137.05960	20.6
137.09596	5.0
143.08524	3.1
145.04901	1.5
145.06485	1.5
145.10085	7.0
147.04425	2.9
147.08037	6.4
147.11662	100.0
149.05936	0.9
149.09648	1.2
151.07518	1.3
157.10129	1.4
159.11681	1.3
161.05899	1.3
161.09589	4.5
161.13249	7.1
163.11089	1.1
163.14742	1.4
165.09073	21.7
165.12712	9.7
168.07822	2.8
170.10887	1.0
173.13213	7.1
175.07506	1.0
175.14786	5.6
177.09010	1.0
181.08632	0.8
183.10139	3.1
185.13237	1.7
191.14273	21.0
203.14291	8.6
209.15373	4.8
214.08676	1.3
221.11800	1.3
221.15311	22.0
239.12607	1.7
239.16373	12.2
257.13776	9.1
274.14432	3.1
285.77304	0.7
436.12421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78835	0.6
54.81374	0.7
55.05505	0.7
56.43427	0.6
57.07068	8.4
58.06588	1.0
61.94954	0.6
67.05471	0.8
70.06578	19.4
71.08616	3.0
74.86800	0.8
75.29579	0.7
78.99051	0.7
79.54425	0.8
81.07031	1.2
88.07614	23.0
92.08756	0.8
102.09161	18.0
102.96986	0.7
103.01822	3.6
105.06937	1.1
111.04413	0.9
116.46633	0.8
118.05956	0.7
135.04404	7.5
145.29190	0.8
147.04407	3.5
153.05466	1.8
163.03873	100.0
163.04965	7.1
170.71973	0.9
172.58524	0.7
191.07053	1.4
207.06508	83.5
246.23846	0.8
256.26294	45.5
290.91348	0.8
436.30530	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10619	0.5
53.37793	0.5
54.81511	0.6
55.01863	4.7
55.05501	5.5
57.16808	0.6
61.98414	0.5
62.18729	0.6
65.03927	0.8
67.05495	7.7
69.03414	1.2
69.07051	3.1
71.05792	0.6
79.05460	7.8
81.03402	3.4
81.07036	10.1
83.01305	0.7
83.08601	1.4
87.11124	0.6
90.73815	0.6
91.05456	10.4
93.03381	1.4
93.07026	6.6
95.01283	4.4
95.04954	3.9
95.08571	3.0
96.97760	0.7
97.02864	0.8
97.06526	1.1
97.10117	0.8
105.03368	1.1
105.07023	6.1
107.04930	4.4
107.08578	1.5
109.02883	2.7
109.06517	2.5
109.10145	1.5
115.05447	2.8
117.07004	5.4
119.04929	1.3
119.08561	3.8
121.02853	1.4
121.06510	3.2
121.10092	2.5
123.04382	2.9
123.08025	0.6
125.02328	2.6
128.06256	0.8
129.07021	4.9
131.04932	2.7
131.08540	5.5
133.06490	4.1
133.10123	4.5
135.04384	3.8
135.08002	1.1
137.05952	4.9
139.03897	1.2
141.06967	2.9
143.08551	2.7
145.06467	4.8
145.10141	2.9
147.04391	4.3
147.08055	1.5
147.11710	1.1
149.02325	3.5
149.05942	2.2
149.09563	0.9
151.03880	1.5
151.07498	0.9
151.11105	0.7
155.08540	3.0
157.06509	3.1
157.10097	2.6
159.04373	1.0
159.08063	1.1
159.11700	1.1
161.02293	0.8
161.05960	4.3
161.09631	1.2
163.03880	4.7
165.01807	1.2
165.05531	1.0
165.06970	1.5
166.07745	0.8
167.08554	2.6
169.06454	1.0
169.10088	2.8
171.04356	1.1
171.08038	1.4
171.11734	0.9
173.05954	4.1
173.09650	1.0
175.03889	6.0
175.07515	0.9
175.11168	1.6
177.05472	1.4
179.03404	1.0
179.06941	0.7
181.05011	0.9
181.10197	1.1
183.07980	1.5
183.11739	1.2
184.80130	0.7
185.05960	1.4
185.09653	1.3
185.13234	1.0
187.03871	3.3
187.11136	3.1
189.05423	7.4
191.03348	1.3
193.04900	1.0
195.08049	0.8
197.04436	0.8
197.09625	2.5
199.03960	0.8
199.11185	2.3
201.05484	1.3
203.06946	0.8
205.04875	1.3
205.10275	0.8
209.09529	1.1
211.11221	0.9
213.05447	0.7
213.12715	2.8
215.10667	3.7
217.04919	4.1
221.04420	10.6
223.11200	2.7
225.09084	2.7
225.12640	0.8
227.10669	2.7
233.11650	7.2
235.05986	2.9
241.08507	1.1
241.12210	6.9
243.10172	1.1
245.11731	1.0
251.10655	4.1
255.10100	1.2
259.13220	4.1
261.11179	1.5
269.11673	6.6
271.13147	0.9
277.10721	3.8
279.10168	0.9
287.12790	9.7
297.11157	6.0
303.11981	0.9
305.13785	4.5
315.12180	14.4
333.13251	100.0
334.13882	0.8
351.14297	38.7
351.18478	1.4
369.15387	6.7
436.11050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.96545	0.5
55.01865	5.8
55.05510	4.8
57.03424	0.9
65.03928	0.7
67.05495	8.7
69.03415	2.2
69.07050	2.2
71.04971	1.1
71.76070	0.6
79.05478	11.1
81.03411	3.9
81.07024	7.7
83.01329	1.2
83.04974	1.2
83.08609	2.4
85.02888	1.3
91.05468	10.6
93.03401	0.9
93.07026	7.9
95.01282	4.8
95.04945	4.5
95.08605	4.7
97.02869	1.1
97.06517	0.8
100.10950	0.5
101.02386	0.5
103.05451	0.8
105.03378	1.2
105.07021	7.4
107.04964	4.9
107.08570	3.5
109.02861	2.6
109.06529	1.1
109.10139	2.5
111.04429	0.8
115.05424	2.1
117.06995	5.3
119.04942	2.7
119.08556	3.5
120.13400	0.6
121.02828	3.1
121.06469	3.3
121.10139	1.3
123.04418	3.6
123.11675	0.5
125.02314	0.7
127.03852	0.6
128.06242	0.8
129.01741	0.6
129.06970	5.5
131.04886	1.3
131.08560	5.7
133.06479	4.3
133.10120	4.6
134.23203	0.5
135.04395	4.0
135.08046	0.9
135.11702	0.7
137.05960	2.3
139.03912	1.0
141.06984	3.2
142.07732	0.8
143.05054	0.6
143.08545	4.1
145.06458	5.3
145.10106	3.6
147.04417	4.9
147.08054	2.4
147.11688	2.3
147.63536	0.6
149.02322	5.4
149.06007	3.2
151.03886	3.1
153.06987	1.0
154.07784	0.6
155.03386	0.6
155.08484	4.1
157.06483	2.9
157.10143	5.4
159.04413	2.3
159.08029	1.1
159.11647	2.1
161.02290	0.7
161.05936	4.2
161.09584	1.0
163.03923	3.6
165.01796	1.1
165.05467	2.2
165.06865	0.9
166.07802	0.6
167.03387	1.2
167.08549	2.8
169.10088	2.9
171.04407	0.7
171.08025	3.0
171.11673	1.2
173.02345	0.9
173.05940	4.8
173.09593	1.0
175.03897	5.1
175.07590	1.2
175.11147	2.6
177.05457	2.4
179.03308	1.3
179.08565	0.7
181.05002	1.0
181.10126	2.3
183.08028	1.3
183.11656	1.2
185.05914	0.9
185.09607	3.5
185.13237	0.9
187.03935	3.1
187.07439	0.7
187.11171	3.0
189.05475	6.6
189.09079	0.7
191.03372	2.1
191.06903	0.7
193.05005	0.8
195.11710	1.3
197.04390	0.8
197.06029	0.6
197.09654	1.0
199.03828	1.1
199.07573	0.8
199.11171	2.7
201.05409	0.9
201.09160	1.1
203.03291	0.7
203.10684	1.3
205.04938	2.6
205.10280	1.6
205.12276	2.5
209.09624	1.0
211.11232	1.0
213.09138	1.0
213.12639	3.8
215.10677	2.7
216.56636	0.6
217.04988	4.1
217.12210	0.9
221.04416	10.5
223.11154	3.0
225.09109	2.2
227.10663	3.1
229.12289	0.9
231.10085	1.1
233.09683	0.8
233.11678	5.6
235.06035	2.8
239.10693	0.8
241.08568	0.7
241.12083	5.9
243.10172	2.8
243.13745	0.6
245.04247	0.7
245.11691	1.0
251.10561	4.5
253.12296	0.9
255.10178	0.9
259.13159	4.3
261.11237	3.2
269.11670	7.3
271.13257	0.9
277.10608	5.4
279.10080	1.1
287.12692	10.3
289.10797	0.7
297.11328	5.5
303.12054	1.2
305.13696	4.2
315.12253	17.4
333.13272	100.0
334.13541	1.2
351.14331	45.1
369.15323	6.2
386.20294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.8
55.05511	10.7
57.03428	3.1
62.14739	1.2
64.21902	1.1
65.03934	1.1
67.05489	18.8
69.03401	1.7
69.07056	13.9
79.05479	15.2
81.07041	22.4
83.04962	2.0
83.08617	5.9
91.05462	13.1
92.08732	1.7
93.07025	13.7
95.01303	5.1
95.04931	5.6
95.08597	11.2
97.02900	1.4
97.06528	5.6
103.05429	2.2
105.07015	11.4
107.04948	6.2
107.08579	6.9
109.06529	2.2
109.10174	6.6
115.05466	2.0
117.07035	6.4
119.04911	1.6
119.08569	6.5
121.06471	4.4
121.10126	1.9
123.04407	3.0
126.52854	1.3
128.06255	1.4
129.07001	6.4
131.04929	1.7
131.08549	9.4
133.06483	2.7
133.10098	6.7
133.16185	1.3
135.04382	5.2
135.08035	1.7
135.11676	1.3
137.05995	2.0
141.06927	1.9
143.08496	2.3
145.06491	4.9
145.10162	2.6
147.04408	2.4
147.08072	1.5
147.11618	2.2
149.02333	6.3
149.09610	2.1
149.13197	1.8
151.03876	2.4
155.08492	2.2
157.06526	1.5
159.04407	1.7
159.11697	2.5
161.02356	1.7
161.05946	5.8
161.09616	2.1
161.13269	1.7
163.03828	2.8
165.01894	1.4
165.07076	1.3
167.08505	1.6
169.10083	2.7
171.11641	1.8
173.05907	5.1
175.03911	6.8
177.05504	2.1
182.46690	1.3
183.08025	1.4
187.03870	1.6
187.11078	1.8
189.05534	5.5
191.03362	1.5
199.03914	2.1
199.11162	1.6
209.09570	1.7
213.09058	1.3
213.12672	2.8
215.10741	2.4
217.04953	2.2
221.04396	11.2
221.49081	1.4
223.11095	1.6
225.09219	2.2
227.10742	2.1
229.12321	1.5
233.11681	6.2
241.12239	2.8
251.10657	2.9
255.10355	1.9
259.13248	4.8
269.11734	8.8
271.13208	1.6
274.49118	1.4
275.20163	1.8
277.10602	2.4
287.12625	9.6
297.11240	2.8
305.13751	4.6
315.12164	15.0
333.13242	100.0
349.23645	9.2
351.14316	42.7
369.15463	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.3
57.03419	1.0
59.13142	0.2
61.02900	0.3
67.05478	0.4
69.03407	1.1
70.06572	0.9
71.04969	0.5
72.08128	0.5
75.04434	0.3
79.05466	0.3
81.03414	0.5
81.07037	0.3
83.04956	0.3
85.02889	3.3
85.52985	0.2
86.09673	0.4
89.05999	1.1
91.05455	1.6
91.33424	0.2
93.07039	0.3
97.02846	1.2
99.04410	0.4
105.07016	2.8
106.06538	0.3
107.04936	0.6
107.08572	0.3
109.02856	0.9
109.06505	0.4
111.04417	0.2
115.05427	0.4
117.07004	2.6
119.04910	0.5
119.08568	1.3
121.06483	1.2
121.10119	0.3
122.03610	0.3
123.08048	0.3
127.03864	1.1
128.06163	0.3
131.04893	0.4
131.08516	0.5
133.06465	3.7
133.10077	0.5
135.08075	0.8
137.05959	7.7
143.08527	1.2
145.06459	0.5
147.04419	0.9
147.08047	1.6
147.11703	3.2
149.05934	0.3
149.09628	0.3
151.07500	2.3
153.05446	0.6
157.10144	0.4
161.05896	0.4
161.09581	0.3
162.06717	2.1
163.07494	1.3
165.09117	2.4
171.08012	0.5
173.13251	0.5
175.07484	2.8
177.09076	100.0
178.09380	0.3
179.06992	0.3
181.08478	0.5
189.09103	0.3
191.10591	0.5
191.14258	0.3
193.08578	0.4
195.10135	2.4
203.10623	1.7
209.11714	1.2
214.35527	0.3
221.11682	10.1
221.15161	0.4
233.40059	0.3
239.08963	0.3
239.12770	0.9
246.94382	0.2
257.13763	3.5
436.18338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.5
57.03405	2.7
61.02920	9.2
69.03399	12.1
74.06059	2.3
77.42867	2.0
81.03398	3.2
84.04483	13.0
85.02885	27.9
96.04488	2.7
97.02864	11.2
97.42898	2.4
103.05456	3.0
105.07011	3.9
107.04930	3.5
113.89584	2.5
115.05414	9.1
117.24262	1.9
126.05470	10.4
127.03865	4.2
128.98553	2.3
131.04913	51.2
133.06480	19.9
137.05966	41.6
143.04895	10.5
145.04930	2.3
147.04492	3.1
147.07872	2.2
159.04488	3.4
160.05174	14.1
161.05930	13.8
162.06808	3.0
163.07513	37.2
165.09154	3.4
175.07503	75.2
177.05525	2.6
191.07040	20.2
191.10670	2.7
193.08565	100.0
221.08142	10.9
239.09082	31.9
257.10092	16.1
270.54083	2.4
299.76999	2.3
306.54617	2.8
348.87000	2.3
463.02109	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81653	0.1
55.05498	0.1
55.64224	0.1
57.03424	0.1
59.92044	0.1
60.13425	0.1
65.63534	0.1
69.03418	0.3
72.08140	0.2
79.05478	0.1
81.03359	0.1
82.98252	0.1
85.02905	1.1
87.44323	0.1
89.05992	0.1
91.05466	0.7
93.07036	0.2
97.02864	0.2
97.60812	0.1
101.53120	0.1
103.05442	0.1
105.07000	0.7
107.04913	0.1
107.08607	0.2
109.02835	0.1
109.06519	0.1
109.76538	0.1
112.12150	0.1
115.05431	0.6
116.06172	0.1
117.06998	2.2
119.04887	0.2
119.08549	0.3
121.06465	0.5
121.10080	0.2
123.08002	0.2
127.03885	0.2
128.06190	0.7
129.06999	0.2
131.04921	0.5
131.08527	0.5
133.06450	0.8
133.10089	0.2
134.07231	0.1
135.08029	0.6
137.05928	0.8
143.08551	1.1
144.05629	0.3
145.02849	0.2
145.06474	0.7
147.04404	0.2
147.08012	0.6
148.05109	0.1
149.05978	0.5
149.09610	0.5
151.07536	2.3
159.08025	0.2
160.05214	0.3
161.05925	0.7
161.09596	0.8
162.06726	1.8
163.07544	0.8
165.09065	0.7
167.06944	0.2
171.08063	1.0
175.07500	3.4
175.11143	0.4
177.09077	100.0
178.09447	1.1
179.06989	0.2
189.09090	1.5
191.10649	0.3
193.08569	3.0
195.10170	0.9
203.10658	1.7
207.09952	0.2
209.11708	0.2
221.11696	11.2
239.12758	2.3
257.13791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34110	1.5
55.01873	1.9
69.03409	9.4
69.57610	1.6
80.05031	1.8
85.02894	22.2
85.17398	1.8
91.05428	3.1
95.04964	3.1
97.02854	4.9
97.06497	3.0
103.05422	7.7
105.07008	3.0
109.06501	2.4
115.05433	17.7
117.07001	11.4
117.07806	1.9
120.05264	1.7
129.06960	4.0
131.04900	61.3
133.06474	22.2
134.67122	2.4
137.05949	39.2
143.04910	22.1
145.04997	2.6
145.06496	2.4
148.05203	8.6
159.04372	3.4
160.05148	30.1
161.05943	22.3
162.06721	2.7
163.07507	48.2
165.09041	2.9
171.04384	2.6
175.07504	98.7
189.05460	2.5
191.06989	32.6
193.08582	100.0
221.08031	21.2
221.11711	3.0
239.09100	38.4
239.62306	2.5
257.10110	3.0
267.89719	2.3
363.14597	2.3
374.01932	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2741
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
54.81406	0.4
55.05276	0.6
55.05511	12.5
57.03413	0.5
57.07057	2.3
65.03909	0.7
67.05493	9.4
69.07056	18.2
71.04974	0.8
71.08605	0.5
79.05469	4.1
81.06598	0.7
81.07039	13.2
83.04990	0.6
83.08607	10.3
83.81767	0.4
85.06524	0.8
91.05467	9.4
93.07032	5.4
94.69815	0.5
95.04916	0.4
95.08582	14.1
97.06532	3.1
97.10153	10.1
99.08103	0.4
105.07005	3.8
107.08588	4.1
109.10146	6.8
109.63588	0.4
111.08051	0.9
111.11683	3.0
113.09644	0.4
114.82172	0.5
119.04925	24.5
119.08547	4.9
121.10121	5.2
123.04429	0.7
123.11676	2.2
125.13246	0.5
131.18594	0.4
133.10103	4.6
135.11667	6.0
136.21071	0.4
137.09627	0.8
137.13223	1.0
139.11156	1.8
147.04395	100.0
147.11673	3.9
149.13240	0.7
151.11140	0.9
151.14786	2.2
161.13245	2.8
165.05421	10.0
165.12756	0.9
168.09018	0.5
171.13695	0.4
175.14764	0.8
179.14326	0.9
193.19482	0.5
193.59561	0.5
217.19460	7.8
217.21368	0.5
229.99550	0.5
235.20518	8.4
253.21564	7.5
271.22797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2504
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.58006	0.8
53.03936	1.3
55.01860	2.3
55.05507	38.4
57.03173	1.6
57.03432	26.0
57.07059	6.7
67.05494	84.8
69.07054	40.6
71.08613	1.9
74.25676	0.9
75.04428	1.2
79.05479	22.2
81.07042	83.7
83.04989	1.4
83.08597	19.2
85.06539	2.2
91.05473	14.0
93.07027	24.6
95.04947	1.4
95.08591	67.6
97.06504	5.5
97.10133	8.5
98.98449	90.4
105.07021	11.8
107.08588	12.6
109.06522	1.4
109.10150	27.4
110.56062	1.1
111.08060	1.5
119.08570	11.6
120.78422	1.2
121.10110	8.7
121.41531	1.0
123.08011	1.1
123.11684	11.5
133.10114	9.9
135.11684	6.5
137.13239	4.6
147.11673	8.0
149.13237	4.4
151.14806	2.0
155.01013	23.2
161.13225	4.6
163.14799	2.4
165.16263	1.4
173.02161	7.7
173.31306	1.2
175.14830	1.3
214.54060	1.4
245.22612	6.9
263.23685	16.9
337.27316	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	435.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77843	5.7
51.69402	7.1
55.01859	28.3
55.05497	38.0
57.03425	7.6
57.07068	7.4
58.23536	5.7
59.41281	5.6
60.93571	6.6
61.02901	11.4
62.35991	6.6
65.03925	9.4
67.05488	72.0
67.90614	5.9
69.03410	14.1
69.07050	15.4
70.48143	5.7
79.05473	60.7
80.06509	7.4
81.03403	8.2
81.07042	69.1
83.08597	10.1
91.05464	100.0
93.07021	68.8
95.04942	26.7
95.08588	38.6
97.06542	8.6
103.05435	34.2
105.07022	83.5
107.04941	26.6
107.08562	15.2
108.02357	8.8
109.10185	9.9
112.86740	6.3
115.05424	17.3
117.06995	59.8
119.04914	13.7
119.08566	40.4
121.06493	37.0
121.10101	8.0
123.04361	7.7
125.02354	13.0
128.06261	7.7
129.06940	13.2
131.04903	7.2
131.08536	65.3
133.06453	41.4
133.10094	38.1
135.04398	14.6
141.06993	17.2
143.08554	9.6
145.06464	33.4
145.10095	17.1
147.04395	15.4
147.08076	27.1
147.11664	9.1
149.06027	13.7
149.09595	8.7
151.03870	10.8
153.06985	10.0
155.08540	12.4
157.10045	15.5
159.04384	11.3
159.08090	27.4
159.11670	10.0
161.05994	31.2
161.09622	9.5
163.03873	56.2
163.11166	6.9
167.08485	7.7
169.10239	7.9
171.08095	8.1
175.11211	9.8
177.05492	41.7
181.04965	10.7
185.09552	8.5
189.05473	36.0
191.07001	7.6
207.10150	9.8
217.12344	7.2
219.10028	9.8
233.11743	60.7
245.11714	27.4
271.13116	11.3
293.13910	29.2
357.20627	8.9
369.20395	49.1
371.22452	8.6
381.20560	12.5
387.21509	17.1
399.21552	60.7
417.22668	39.9
435.23248	14.1
453.97397	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03426	6.2
67.05473	1.6
67.67846	0.7
68.99747	0.6
69.03409	1.6
69.07019	0.8
71.04985	1.1
72.08139	0.9
76.55590	0.7
76.75730	0.6
79.05457	1.8
80.51699	0.6
81.03391	1.4
81.07024	2.9
83.04920	0.8
85.02888	12.1
91.05463	13.6
93.07028	1.5
94.04124	0.8
95.04942	3.6
95.08596	3.1
97.02854	1.0
103.05453	2.8
105.06973	5.8
107.04926	9.0
107.08570	1.4
107.91034	0.7
109.02872	3.9
114.68209	0.7
115.05430	1.0
117.07014	0.9
119.04913	9.6
119.08580	1.5
121.02847	9.6
121.06476	4.4
121.10065	1.3
122.03580	1.0
123.04400	3.5
125.02333	1.4
128.06166	1.5
129.06976	8.6
131.04900	5.4
131.08540	4.4
132.09961	0.7
133.06500	1.4
135.04388	0.7
135.08009	1.4
137.05952	38.2
145.06381	1.2
145.10057	1.4
146.03622	1.3
146.07248	4.4
146.10471	1.0
147.04385	10.9
148.05154	3.8
149.02283	1.2
149.05930	3.6
149.09573	1.3
150.06723	1.4
151.03899	1.4
151.07529	15.2
153.01804	3.6
157.06477	3.6
159.11610	1.1
161.05945	100.0
161.09576	26.1
162.06694	1.0
163.03831	3.7
163.07526	5.3
163.93210	0.8
165.01797	18.8
165.06950	1.0
171.02771	1.1
174.06729	4.6
175.07463	8.1
177.01765	6.1
177.09105	3.8
181.08647	0.9
183.02863	14.8
189.01790	1.4
189.09071	51.0
191.03351	13.7
191.07019	2.9
193.06386	0.8
195.02859	37.9
195.08046	1.3
203.01634	0.7
205.04930	1.0
207.10120	42.0
209.04396	1.0
209.09595	1.0
210.06720	1.2
211.09599	0.9
219.02815	13.8
219.10181	1.5
221.09570	1.3
223.07642	1.0
224.08502	0.8
225.08969	0.9
227.10567	1.8
227.68486	0.8
231.02885	14.8
243.02875	3.1
249.03769	6.3
253.08498	1.1
253.12172	1.8
255.10136	4.0
261.03943	7.9
267.10168	1.1
269.07913	0.9
279.04785	1.4
285.07477	7.4
285.11111	3.2
287.12833	6.0
297.07510	3.9
299.12570	1.0
301.15317	0.9
313.14279	5.5
315.08542	4.0
330.14584	1.2
331.15384	5.4
339.08554	6.1
351.08392	3.4
363.08426	1.5
369.09622	1.3
381.09546	3.3
399.10806	3.2
399.50064	0.9
405.18933	3.4
435.21277	3.2
457.41998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75964	0.9
53.03931	5.4
55.01867	2.1
55.05507	2.1
57.03431	21.5
59.04981	1.6
61.02909	2.9
66.38509	1.1
67.17172	1.0
69.03421	16.7
69.82056	1.2
70.06575	6.6
71.04983	51.0
72.05308	7.3
72.08153	2.3
73.02903	5.1
75.04459	2.2
79.05478	1.9
81.03404	15.0
81.07040	2.6
83.04959	13.8
85.02896	95.2
85.06536	1.4
86.03236	5.7
86.09702	2.4
87.04463	4.4
87.88485	1.1
91.05476	18.5
92.05798	2.6
93.07028	2.1
94.06611	1.3
95.04964	2.0
95.08595	2.9
97.02879	30.5
97.06474	1.5
98.06023	1.2
99.04438	25.8
100.38672	1.1
101.06019	11.2
103.03936	30.6
105.07027	2.9
107.04951	2.0
107.08584	2.2
109.02891	12.8
109.10146	1.6
111.04430	7.7
117.07075	1.4
119.04926	2.2
119.08529	2.8
119.22006	1.3
121.06465	1.8
125.05911	1.2
127.03909	44.2
129.05461	100.0
130.05780	2.0
131.02051	1.2
131.04919	1.1
132.76465	1.1
133.10110	2.2
135.08049	2.9
137.05977	11.9
137.09593	9.2
145.04961	15.1
147.06535	7.4
149.09590	2.1
151.07539	5.1
161.05942	17.0
161.09618	2.9
163.06023	8.9
163.07408	4.2
169.04977	1.3
175.07533	1.7
187.05884	1.8
189.09105	5.6
192.97479	1.2
207.10159	5.1
219.13745	1.5
219.17451	1.5
237.14980	2.6
271.08002	5.1
435.19653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14674	0.5
55.01856	1.5
57.03426	13.5
61.31443	0.5
65.03922	1.1
67.91047	0.5
68.08731	0.5
68.99768	3.3
69.03394	1.3
70.29941	0.5
71.64172	0.6
72.08122	0.8
79.05464	0.6
81.03391	3.5
83.04926	0.7
84.08120	0.6
85.02887	27.5
91.05470	3.3
92.09390	0.7
93.03384	0.8
95.04940	5.2
97.02850	3.2
103.03886	2.5
107.04921	3.9
109.02863	6.0
111.00765	1.1
119.04932	6.3
121.02828	19.3
123.04418	4.3
125.02308	3.4
127.03919	0.7
135.04379	2.2
137.05956	4.9
141.01820	2.6
142.82877	0.6
147.04387	21.8
149.02275	3.4
151.03900	1.1
151.07509	0.9
153.01828	5.9
161.05966	6.5
161.09639	1.3
163.03882	10.2
164.35495	0.6
165.01797	48.8
167.03366	1.4
171.02844	5.7
175.03889	1.2
177.01804	19.5
177.09050	1.4
179.03305	1.4
181.04836	0.8
181.08623	0.9
183.02840	30.2
187.03870	2.2
189.01801	9.5
189.09093	3.7
191.03351	30.2
193.01276	2.4
195.02855	100.0
197.00780	1.0
199.03833	1.0
202.02617	1.0
203.03400	4.8
205.04962	3.2
207.02859	4.7
207.10085	2.3
209.00848	2.3
209.04396	2.6
215.03346	3.6
217.01355	1.0
219.02855	40.9
231.02826	33.8
233.04346	3.5
237.03909	2.4
243.02818	8.6
249.01434	0.8
249.03896	17.0
255.12302	0.9
261.01843	0.7
261.03867	24.2
273.07504	3.3
279.04858	5.3
285.07520	27.1
297.07654	13.2
315.08569	13.9
323.03979	0.8
339.08566	20.9
351.08527	12.4
363.08542	4.3
369.09598	2.3
381.09589	8.3
399.10663	9.9
417.11490	2.6
435.20935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1282
Annotation	LMPK12120251
Peak:m/z	Relative Intensity
50.79874	1.1
53.03928	1.3
54.81561	1.1
55.01857	2.7
55.05511	9.0
57.03432	11.1
59.37243	1.0
61.02911	2.4
66.83899	1.1
67.05486	1.5
68.99789	2.4
69.03428	8.8
70.06559	1.3
71.04949	1.3
72.08107	1.5
79.05496	2.1
81.03402	5.5
81.07044	2.1
82.06556	2.5
83.04939	1.5
83.08593	5.0
85.02888	36.6
91.05476	8.3
93.07008	1.7
95.04944	5.8
95.08578	5.7
95.72574	1.1
97.02898	8.7
100.11228	20.9
103.03926	1.2
105.07001	2.5
107.04944	6.3
107.08550	2.1
109.02866	7.7
110.06034	1.8
111.04426	1.9
114.42169	1.2
119.04920	18.5
119.08575	2.4
121.02837	14.0
121.10146	1.7
123.04395	8.1
125.02349	1.4
129.05356	1.3
131.04874	1.4
131.08565	1.4
135.04437	1.9
137.05981	2.9
139.08536	1.3
141.01866	2.1
145.10120	2.4
147.04390	60.4
151.03909	2.5
153.01807	100.0
159.11740	1.6
161.13301	1.6
163.03891	7.8
165.01802	38.5
171.02840	8.7
177.01848	9.4
179.03362	1.7
182.15376	12.2
183.02859	29.5
187.03969	1.5
189.01855	2.4
191.03337	18.3
195.02864	68.4
201.16393	2.8
203.03400	2.6
205.04993	5.4
207.02829	5.2
209.04355	1.4
209.16475	5.9
210.14877	6.0
215.03416	4.5
219.02879	22.4
226.19167	2.4
231.02766	11.8
233.04469	2.0
235.02277	1.3
237.14485	1.4
243.02899	1.6
246.14787	1.5
249.03827	8.8
261.03864	13.0
273.07513	82.3
279.04901	4.6
279.48749	1.2
284.06549	1.4
285.07397	11.8
297.06244	2.5
314.07541	1.6
315.08551	9.5
339.08636	10.3
351.08411	2.5
369.09598	8.3
381.09296	2.4
399.10602	5.8
417.11536	6.4
435.12701	9.7
435.33182	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	435.1285
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
52.77509	0.5
53.03925	0.6
55.01855	1.6
57.03434	9.0
61.02929	0.9
65.03895	0.6
67.05488	0.7
68.99777	4.1
69.03405	1.4
72.08145	1.2
79.05453	1.3
81.03391	4.9
85.02888	30.3
91.05444	3.3
93.03368	1.0
95.04962	5.0
97.02860	3.2
99.04440	0.7
103.03913	0.6
103.05430	1.0
104.78063	0.9
105.03390	0.6
105.07012	0.9
107.01311	1.0
107.04938	5.8
109.02859	6.9
111.00779	1.0
119.04932	7.0
121.02844	22.7
121.06464	1.4
123.04427	6.0
123.08126	0.7
125.02348	3.7
127.03882	1.0
131.04927	1.5
131.08533	6.0
132.08865	2.6
133.06487	1.1
135.04378	4.0
137.05930	2.6
141.01834	1.5
147.04395	19.4
149.02339	3.2
149.05978	1.0
151.03905	1.3
153.01808	9.0
159.08012	2.8
160.08282	0.9
161.05917	1.1
163.03854	9.5
163.07512	10.5
164.07866	3.4
165.01802	48.3
165.09093	5.5
166.09399	2.5
167.03418	1.3
171.02850	5.6
175.03864	3.8
177.01796	20.6
179.03334	2.6
183.02855	29.9
187.03929	2.9
189.01790	8.3
190.99606	1.0
191.03352	30.3
191.06982	5.6
191.10678	3.7
192.07397	1.1
192.10992	2.4
193.01215	1.4
195.02866	100.0
203.03368	4.1
205.04950	5.0
207.02934	4.9
209.00797	3.0
209.04378	1.1
209.11711	16.7
210.12035	7.9
215.03357	3.4
217.01372	1.1
219.02847	37.9
219.10121	2.5
220.10428	1.2
221.04491	0.7
222.51968	0.6
231.02838	37.9
233.04384	3.6
237.03906	1.0
237.11215	9.0
238.11501	4.7
243.02864	9.0
244.82939	0.7
249.03865	14.2
251.05589	0.8
261.03885	21.9
273.07452	3.0
274.84946	0.7
279.05002	5.0
285.04355	1.0
285.07510	25.9
297.07617	11.9
309.07510	1.3
315.08618	11.9
339.08582	21.1
351.08548	11.6
363.08453	5.6
369.09491	1.3
381.09659	8.6
399.10718	10.5
417.11581	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	435.1286
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.87501	0.5
53.03934	0.7
55.01854	0.8
55.05505	1.0
57.03409	0.8
58.95737	0.6
67.01846	1.2
67.05481	3.0
68.79836	0.6
69.03406	4.1
69.07040	1.0
70.06575	1.5
70.22846	0.7
72.08128	2.7
79.05463	1.2
81.03397	1.6
81.07035	1.1
83.04957	0.9
84.04467	1.0
85.02891	10.4
91.05458	6.0
93.07011	3.7
95.04939	2.9
95.08591	2.8
97.02859	3.3
99.04414	1.0
101.10296	0.7
103.03903	1.1
103.05450	2.9
105.06991	2.7
107.04931	3.7
107.08580	2.6
108.59801	0.6
109.02814	1.2
109.10078	0.8
111.04429	1.0
119.04925	14.7
119.08520	2.6
121.06496	1.1
121.10124	1.6
122.03602	1.0
123.04436	4.6
126.90538	0.7
127.03895	2.8
130.05035	0.7
131.04897	5.2
131.08559	0.9
133.06458	0.9
133.10091	1.0
135.07983	0.7
136.07498	0.9
137.05951	14.1
145.04993	0.8
145.10078	1.2
147.04390	53.4
147.11612	0.6
151.03833	0.8
151.07489	1.0
153.01807	100.0
159.11681	0.9
161.05913	5.5
161.09576	1.1
163.07428	2.1
171.02863	10.6
173.13266	0.7
177.09045	0.7
178.45529	0.7
179.03362	1.3
179.07103	0.8
189.09090	2.4
201.16382	0.8
204.10077	0.8
219.14050	0.7
219.17526	1.3
237.14810	1.4
237.18530	0.9
250.15779	0.7
273.07520	85.9
285.11340	1.5
356.90430	0.8
360.98233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.9
57.03092	0.6
57.03418	1.7
61.02884	1.4
63.87682	0.7
67.05495	12.0
69.03414	6.5
71.04970	1.7
74.76929	0.7
77.65497	0.8
81.03399	1.9
81.07056	0.8
83.04966	13.6
84.04485	1.1
85.02894	7.7
85.95746	0.7
91.05440	2.0
92.08683	1.4
95.04925	6.6
97.02869	4.7
99.04410	1.1
101.05992	17.0
103.05448	4.8
109.06511	1.6
113.05992	100.0
115.05425	1.4
120.04439	3.5
123.04389	0.8
127.03896	1.2
128.06236	1.6
129.06996	10.7
131.04906	26.2
131.06993	5.5
131.08531	3.6
132.04462	6.2
137.05968	14.5
138.05507	1.0
141.06964	1.2
145.06491	1.8
147.07985	1.0
150.05513	1.8
157.06471	14.0
159.08044	2.0
161.05962	2.0
163.07486	8.3
169.06407	1.2
172.07643	0.9
174.06775	3.1
175.07500	1.7
177.09032	0.8
189.09071	11.6
191.07068	1.1
207.10098	4.9
218.08128	5.1
219.10135	4.7
272.11182	11.2
318.78424	1.0
346.80130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.04318	0.1
52.45093	0.1
54.81424	0.1
65.03934	0.1
67.01862	1.4
68.99766	1.1
69.03415	1.1
77.63849	0.1
78.87142	0.1
81.03394	0.2
81.93399	0.1
83.01369	0.1
85.02896	1.3
91.05462	3.3
95.04950	1.2
95.22523	0.1
97.02884	0.7
98.77956	0.1
104.79518	0.1
105.06981	0.1
107.04936	1.8
111.00788	0.3
119.04922	14.4
121.02811	0.3
121.06486	0.8
123.04411	4.0
125.02282	0.2
127.03918	0.2
145.04979	0.2
147.04395	46.4
148.04671	0.2
148.74387	0.1
150.29187	0.1
151.03897	0.8
153.01810	100.0
154.02144	0.5
161.05937	0.2
165.01801	0.2
171.02873	3.6
179.03352	0.9
189.05438	1.0
195.02867	0.2
207.06332	0.2
217.74017	0.1
231.06482	0.7
255.06479	0.7
266.81952	0.2
271.05960	0.2
273.07523	86.7
274.07828	0.7
290.05362	0.1
325.79474	0.2
456.27359	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01863	0.5
57.03428	2.3
61.02903	1.3
69.03397	1.6
71.04979	2.5
76.56519	0.3
79.05452	0.4
81.03384	1.1
81.07011	0.6
83.04955	0.4
84.04501	0.3
85.02426	0.5
85.02894	10.8
85.90686	0.3
91.05453	4.9
93.07011	0.6
95.04934	0.5
95.08586	0.5
97.02911	2.2
103.03934	0.3
103.05441	1.7
105.07020	3.9
107.04930	0.5
107.08574	1.2
109.02863	0.6
109.06449	0.5
109.10126	0.3
113.06632	0.3
115.05382	0.4
115.64027	0.3
116.06216	0.6
117.07037	1.2
119.04903	1.2
119.08538	1.2
120.05673	0.4
121.02827	1.5
121.06494	0.6
123.04433	0.4
125.02357	0.5
127.03918	0.5
129.05458	0.6
129.06999	2.2
131.04906	9.6
131.08542	26.0
133.06462	2.5
133.08542	0.3
133.10072	0.4
135.04404	0.5
135.08023	1.8
137.05934	3.3
141.06995	1.3
144.05717	1.3
145.04903	0.4
145.06442	0.6
145.10117	1.1
147.04359	1.9
147.08017	0.5
149.09610	0.7
150.06747	3.5
158.07233	0.5
159.08023	17.8
160.08740	1.4
161.05923	1.5
161.09567	0.5
162.06708	1.5
163.07509	51.6
163.11150	1.4
165.01804	3.8
165.09082	25.3
173.09575	4.5
175.07428	0.3
175.11122	0.3
176.08276	1.8
177.01761	1.2
177.05486	0.6
177.09012	0.7
177.27383	0.3
181.08638	0.6
183.02892	2.7
187.07509	1.4
189.01756	0.4
189.09000	0.6
191.03384	2.5
191.07008	28.6
191.10629	24.0
194.09352	0.7
195.02850	8.6
195.04483	0.5
201.16290	0.5
204.10107	0.4
207.10054	0.5
209.11694	100.0
210.12018	1.4
215.03432	0.4
219.02872	3.1
219.10138	14.3
219.17302	0.6
223.13091	0.3
231.02850	3.5
237.11169	57.7
238.11488	0.3
249.03848	1.2
255.12140	4.0
261.03870	2.2
273.07416	0.4
275.08780	0.3
285.07501	1.8
287.70364	0.3
297.07510	1.2
315.08463	0.6
339.08496	1.8
363.08868	0.3
381.09732	0.6
399.10507	0.6
417.11691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
53.43454	0.2
55.01846	0.5
57.03426	5.8
57.68589	0.3
61.02904	1.8
69.03416	4.0
70.06562	0.4
73.02893	0.8
73.26499	0.3
75.04442	0.8
77.03889	0.3
77.29848	0.3
77.62147	0.3
81.03387	1.7
85.02888	11.4
87.04459	0.5
91.05478	0.7
96.49239	0.3
97.02863	3.9
99.04445	0.6
101.05372	0.3
102.04642	1.3
103.05447	30.9
104.28449	0.3
105.07011	2.6
108.24568	0.3
109.02876	0.8
117.05530	0.3
117.07007	0.7
119.04953	0.3
121.06531	0.4
127.03872	1.5
129.06944	0.5
130.04117	5.9
131.04901	100.0
132.05231	0.7
133.06474	4.1
137.05956	0.5
145.04955	1.5
145.06407	0.7
147.04369	1.7
147.08003	0.6
148.05170	55.3
149.05579	0.4
157.06427	0.6
158.07162	0.4
159.11690	0.4
160.05147	1.5
161.04723	0.5
161.05939	7.7
162.06734	4.5
163.07507	49.0
164.07872	0.5
175.07495	1.8
182.08844	0.3
201.09038	0.7
204.07909	0.4
205.08679	0.5
219.10144	1.7
237.11171	18.1
255.12193	0.6
336.01630	0.3
399.16473	2.3
432.38815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
57.03426	12.0
61.02905	2.0
69.03405	4.1
71.04961	0.4
73.02882	0.5
75.04463	4.9
77.83155	0.5
77.85044	0.4
78.28294	0.4
79.98370	0.4
81.03395	2.1
85.02893	13.4
87.04449	0.6
88.10477	0.4
91.05457	6.6
92.63087	0.4
93.07017	2.8
95.04966	0.7
97.02876	4.8
99.04486	0.6
103.05450	33.4
105.03374	0.9
105.07011	2.6
105.22506	0.5
107.04945	0.7
109.02837	1.0
109.06519	2.2
110.03642	5.7
119.04914	10.8
120.05667	0.8
121.06494	5.4
123.04404	14.6
124.05172	3.7
127.03939	0.8
127.55499	0.4
130.04115	0.9
131.04901	100.0
133.06451	2.0
135.04353	0.7
135.08005	1.9
137.05952	20.8
138.06731	18.5
145.04955	0.7
145.06479	0.5
147.04410	1.9
148.05179	14.1
151.07521	7.7
158.07286	0.6
160.05243	0.7
161.05954	3.0
163.07504	36.2
166.06219	21.7
166.07635	0.6
175.07497	2.1
178.06146	0.7
179.06975	2.6
180.07704	0.7
181.08551	17.4
211.61168	0.5
219.10185	1.0
237.11205	8.7
255.12222	31.8
399.16330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.05510	40.5
59.04718	3.7
59.04991	64.9
59.62907	2.2
59.83635	2.5
65.03908	3.3
67.05492	19.7
69.03443	2.6
69.07053	4.9
70.70751	2.2
71.04980	3.5
79.05486	16.8
80.86950	2.6
81.07045	15.3
82.68365	2.3
83.04964	3.2
85.06530	100.0
91.05456	57.0
93.07014	35.8
93.68234	2.3
95.04951	11.4
95.08561	20.6
97.06467	3.5
99.08088	2.7
105.07008	53.1
107.08566	23.1
109.06523	15.6
109.10124	17.6
111.08088	15.3
113.86409	2.5
115.05444	9.3
117.07001	23.1
119.04947	2.4
119.08566	78.9
121.06507	4.0
121.10123	20.0
122.07295	4.9
123.08064	9.6
125.09573	18.7
128.06194	5.4
129.07005	9.7
130.07780	10.2
131.08510	21.5
133.10101	28.6
135.08034	3.6
135.11745	4.0
137.09563	23.5
141.06993	3.6
142.07758	14.5
143.08571	22.6
144.09346	4.4
145.10130	30.9
147.08051	3.8
147.11734	2.6
149.09657	11.0
151.11160	24.9
154.07797	2.9
155.08569	11.2
156.09322	12.7
157.10088	27.0
158.10855	2.5
159.07974	4.1
159.11661	10.2
163.11220	4.6
167.08595	3.3
168.09245	3.4
169.10107	10.8
170.10887	3.9
171.11687	13.0
173.13168	5.1
175.11209	9.7
179.08414	3.8
180.09334	3.5
181.10014	4.4
182.10956	2.8
183.11723	13.4
187.11172	2.6
189.12735	3.5
193.10106	5.2
194.10905	3.3
195.11722	12.6
197.13223	10.8
203.14275	3.4
207.11659	9.6
208.12476	3.3
209.13258	5.7
220.12358	4.4
221.13289	9.3
222.21451	2.8
223.14720	4.7
238.95119	2.5
249.16348	2.8
266.69928	2.6
357.00742	2.6
433.31949	9.7
433.36652	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	433.2347
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.05909	0.9
54.51780	1.0
55.01872	1.5
55.05508	20.9
57.03430	20.2
57.07065	5.8
65.03930	1.8
67.05492	82.4
67.96603	1.0
69.07062	16.5
71.04964	1.2
71.20141	1.1
79.05475	54.2
81.07040	84.1
83.04954	1.4
83.08601	7.4
85.06541	1.7
85.10160	1.1
91.05463	24.1
93.07024	60.8
95.04942	5.1
95.08584	65.6
97.06479	1.9
97.10129	1.3
98.98450	100.0
105.07023	18.0
107.08579	34.2
109.06499	1.9
109.10146	28.1
115.29803	1.2
116.99442	2.6
117.07001	8.6
119.08570	14.0
121.10120	25.3
123.11670	9.4
131.08554	14.6
133.10130	11.4
135.11699	16.7
137.13257	2.0
145.10106	12.5
147.11673	6.0
149.13243	10.6
155.01009	9.2
159.11647	7.5
161.13210	5.0
163.14809	7.6
173.02042	8.0
173.13248	8.2
187.14810	2.8
201.16388	1.3
243.21085	10.4
249.42685	1.1
261.22064	27.1
263.26733	1.3
285.31067	1.2
317.24536	5.3
335.25729	87.2
369.19623	2.2
433.25781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42269	1.3
55.01869	3.7
55.05505	75.0
57.03436	11.6
57.03658	1.5
57.07070	40.7
60.99464	1.4
66.12994	1.4
67.05494	53.6
68.99767	10.8
69.03384	1.5
69.07054	100.0
71.04974	7.7
71.08617	28.8
77.18119	1.5
79.05482	25.5
81.07040	85.9
83.04962	9.1
83.08121	3.1
83.08607	84.6
85.06529	2.3
85.10164	9.5
87.00323	3.2
87.00819	66.2
91.05457	6.5
93.07027	34.9
93.86437	1.6
95.08006	3.2
95.08586	70.5
97.06512	15.9
97.10150	56.9
99.08076	3.3
105.01865	8.3
105.07034	2.2
107.08575	34.5
107.97056	1.9
109.10144	34.1
111.08091	14.4
111.11703	18.7
118.36639	1.5
119.08521	6.2
121.10123	44.8
123.11670	18.7
125.09580	10.5
129.09111	2.0
133.10091	2.1
135.08054	2.8
135.11674	40.6
137.13237	9.9
139.11174	12.0
147.04353	1.9
149.13272	22.5
151.14799	2.5
153.12709	9.4
161.13258	1.6
163.14795	13.5
167.14331	5.9
171.13777	2.1
172.20522	2.0
177.16351	7.4
181.15851	2.6
195.17516	1.6
219.21042	36.6
237.22098	88.1
255.23140	66.6
277.21503	2.1
285.28879	1.4
291.60648	1.6
295.22650	2.9
308.04794	1.6
323.22141	34.9
329.26691	1.7
341.23175	28.1
350.17032	8.1
359.24072	2.5
397.25751	9.2
415.26813	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01865	1.2
55.05508	14.3
56.96581	0.9
57.03433	11.3
57.07061	4.3
58.16645	0.8
67.05492	50.3
67.05853	1.7
69.07054	11.4
69.68739	0.8
71.04967	1.6
71.08612	0.8
72.53347	0.7
75.04468	1.4
76.64954	0.7
78.80703	0.7
79.05473	41.3
79.71458	0.8
81.07039	47.2
83.08602	3.8
91.05455	20.6
91.05996	1.0
93.07022	45.8
95.04932	3.5
95.08587	34.1
97.06525	3.0
97.10165	1.6
98.98444	100.0
105.07011	14.7
107.08577	27.4
109.06528	1.2
109.10142	12.4
116.34567	1.0
116.99506	4.9
117.07000	6.6
119.08543	12.8
121.10120	20.8
121.71156	0.7
123.08038	1.2
123.11682	6.6
126.25919	0.8
131.08543	14.0
133.10092	8.2
135.11658	11.3
137.13271	1.4
145.10106	11.4
147.10693	0.9
147.11642	6.1
149.09651	0.9
149.13245	9.5
151.11104	0.9
155.01025	16.4
159.11679	8.2
161.13187	6.6
163.11275	1.2
163.14780	3.8
173.02058	6.8
173.13197	6.1
175.14827	1.3
177.16328	3.5
187.14796	3.9
201.16310	1.2
243.21034	13.6
257.34830	0.8
261.22064	33.0
317.24576	3.3
335.25717	30.7
415.22250	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	433.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	15.0
59.49714	3.1
62.75482	3.1
67.05473	6.7
69.07030	2.8
71.08611	8.6
78.21688	4.1
80.91402	3.3
81.07043	5.1
95.08569	5.2
109.10157	13.6
115.04862	3.5
119.08540	3.6
120.96585	5.5
142.08069	3.8
185.03410	3.3
228.71259	3.4
313.27197	25.5
415.22153	4.8
433.23123	100.0
433.28577	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	433.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64275	1.1
53.03946	2.1
55.01855	1.6
55.05503	8.6
57.03434	15.2
61.02915	2.7
65.03922	1.7
67.05499	27.1
69.03406	10.7
69.07083	4.4
71.04982	2.2
73.02898	1.3
79.05473	20.3
81.03405	21.2
81.07036	17.2
83.04967	21.3
83.08596	1.7
85.02892	10.3
85.06557	2.8
87.04491	1.3
91.05466	100.0
93.07037	7.2
95.04971	6.2
95.08582	6.6
97.02882	14.0
97.06516	7.0
99.04414	2.7
100.11242	2.1
105.07018	38.7
106.06588	1.6
107.04945	12.5
107.08592	7.1
109.02875	7.1
109.06505	3.2
115.05443	1.8
117.07010	9.8
119.08577	16.2
121.10138	5.4
126.85206	1.4
127.03891	13.3
128.06216	3.0
129.06964	1.2
131.04901	1.9
131.08583	5.7
133.06516	1.3
133.10114	32.3
135.08018	3.0
137.05969	8.6
143.08566	8.1
144.75000	1.4
145.06418	1.6
147.04410	2.8
149.09641	7.4
151.11203	2.3
159.08061	1.4
161.05928	1.9
161.09625	12.5
162.06494	1.6
179.10710	9.5
183.10147	1.8
187.05904	2.0
197.06021	1.2
201.98036	1.1
209.08269	2.2
210.08781	2.7
238.01772	1.2
252.10196	4.7
253.10353	7.7
253.14307	91.9
271.05801	12.1
283.06049	4.8
284.06827	1.8
415.10150	2.3
415.15353	1.6
433.11215	2.6
433.18631	1.6
433.24088	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	433.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.9
55.01854	29.8
55.05298	4.0
55.05505	55.4
57.03448	16.2
57.07053	5.5
61.02874	4.8
65.03906	9.2
67.05498	97.6
69.03417	12.1
69.07061	35.5
71.04968	9.1
71.15051	4.3
71.55694	4.6
73.24427	4.2
79.05122	4.7
79.05480	82.8
81.03393	10.7
81.07035	99.2
83.04942	4.6
83.08598	12.1
91.05470	100.0
93.07023	65.2
95.04940	9.8
95.08601	58.8
97.02817	7.2
97.06527	4.8
98.98442	29.1
103.05426	8.0
105.07013	82.9
107.04931	12.0
107.08565	23.9
109.06529	10.3
109.10143	9.0
115.05422	24.3
116.06219	8.0
117.07020	44.3
119.04932	6.7
119.08570	57.2
121.02911	5.8
121.10078	23.5
123.04373	6.5
123.11719	7.4
125.02312	7.4
125.09633	4.8
128.06235	35.6
129.06955	43.1
131.04890	23.2
131.08543	61.6
132.05620	5.4
133.06453	34.7
133.10138	27.0
135.04393	22.2
135.08028	7.6
141.06963	28.2
142.07738	23.6
143.08511	36.4
145.05379	5.9
145.06462	48.8
145.10095	32.4
147.04324	18.9
147.08028	24.1
147.11688	23.7
153.06981	10.3
155.08537	19.9
157.06473	24.6
157.10110	23.8
158.07222	5.9
159.04379	6.5
159.08002	29.6
159.11705	9.5
161.05948	19.1
163.03882	11.0
165.06941	9.8
169.10068	18.5
170.07108	6.1
171.04361	5.6
171.08015	31.0
171.11627	7.8
173.05933	24.0
173.09596	20.3
175.03856	19.5
175.07486	8.7
177.05431	6.8
178.07722	7.7
179.08533	5.8
181.06462	5.8
181.10089	5.7
183.08029	10.1
185.05939	19.9
185.09570	29.6
187.03949	11.0
187.07542	19.3
189.05428	22.0
189.08963	7.7
192.75565	4.9
193.10048	8.7
195.07944	7.6
197.05884	6.8
197.09650	20.2
199.03882	22.8
199.07594	10.1
199.11107	9.0
201.05385	10.9
201.09108	19.8
202.63506	4.3
203.06998	12.3
203.10570	5.3
207.08095	6.0
209.09543	21.2
211.07492	6.3
213.05495	17.7
213.09087	10.1
215.06886	8.6
215.10551	6.1
217.08562	21.6
223.07574	6.3
225.09077	6.7
227.07010	8.3
227.10689	10.4
229.08682	7.8
231.09978	16.7
232.44814	4.9
235.05975	5.2
235.77266	4.9
239.10571	7.5
241.08652	19.6
243.10164	9.8
255.99017	5.6
261.22244	7.2
269.11566	6.0
271.13599	4.9
327.19586	23.2
335.25769	26.9
351.19324	7.9
355.18872	26.5
363.14276	7.9
367.19006	28.7
369.20663	9.0
373.19788	6.2
379.19080	8.5
397.20062	34.9
415.21024	25.8
433.21884	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.02065	0.1
51.75405	0.1
67.01853	0.6
68.99765	0.4
69.03393	0.1
81.03397	0.1
81.07045	0.1
85.02885	0.1
87.74903	0.1
91.05460	0.3
97.02850	0.1
109.02863	0.1
115.71692	0.1
116.37164	0.1
119.04911	2.5
120.49836	0.1
121.02830	0.6
127.03866	0.1
136.07608	0.1
137.05923	0.1
145.02840	0.7
153.01794	5.8
163.03870	0.5
164.16516	0.1
171.02847	0.6
185.06108	0.1
187.03732	0.1
203.07001	0.1
225.05411	0.4
229.05005	0.3
231.59279	0.1
239.26639	0.1
243.06412	0.4
247.05881	0.1
271.05936	100.0
272.06265	1.4
295.75009	0.1
328.80783	0.1
356.12964	0.1
433.11307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Isovitexin
Peak:m/z	Relative Intensity
53.03930	0.3
55.01872	0.6
57.03409	0.8
65.47298	0.3
68.99771	0.7
69.03417	0.6
69.97020	0.3
80.00759	0.4
81.03407	0.8
81.07000	0.3
85.02892	2.6
91.05461	0.6
97.02870	0.7
99.04452	0.4
103.03922	0.4
109.02863	1.7
119.04906	4.1
121.02060	0.6
121.02850	11.3
131.04865	0.5
137.02299	0.5
141.01802	1.7
145.02838	4.4
147.04378	0.7
149.02298	2.0
153.01840	0.5
163.03867	3.9
165.01794	15.3
167.03326	3.8
175.03839	0.4
177.01791	0.9
177.05457	0.5
181.04985	0.6
183.02824	7.1
187.03850	2.1
191.03368	1.4
195.02853	2.4
205.04930	0.7
209.04607	0.4
215.03381	0.5
229.04741	1.3
231.03000	0.5
239.06914	1.5
243.02823	0.9
251.35307	0.4
253.04942	0.4
255.06487	2.0
256.07233	2.4
261.03900	0.9
264.14063	0.4
267.06451	10.4
269.04462	0.4
270.05240	3.8
271.05930	7.4
279.06384	1.8
280.07300	0.4
281.08002	9.7
283.05942	100.0
284.06696	15.3
285.07422	0.9
293.08209	0.4
295.05957	12.2
295.09592	2.5
297.04114	0.6
297.07462	5.3
305.07898	2.8
307.05869	1.8
308.06735	1.8
309.03955	1.6
309.07449	20.6
311.05334	0.5
313.06985	62.8
314.07327	0.8
321.07510	3.3
323.05688	1.0
323.09048	18.5
333.07458	3.2
337.06967	25.8
343.08240	0.6
349.07028	9.9
351.08463	2.0
361.07034	7.8
367.08038	13.2
379.07990	11.2
380.08063	0.4
397.09097	13.5
415.10120	10.2
421.74503	0.4
433.11237	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	432.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66660	0.1
53.03933	0.2
55.05505	0.1
55.06767	0.1
57.03428	1.2
61.02895	0.1
68.38677	0.1
69.03418	0.2
70.06563	0.1
71.04973	5.7
73.02895	1.2
75.04446	0.2
76.56239	0.1
79.05465	1.3
81.03398	0.2
83.04942	0.3
85.02886	5.8
87.04467	0.2
91.05447	0.4
95.04948	0.4
95.31049	0.1
96.04446	0.1
97.02867	0.2
99.04429	0.5
99.63637	0.1
106.06533	100.0
107.06848	0.2
108.08078	0.2
109.02943	0.1
117.05534	0.1
118.06513	4.3
120.08041	0.7
123.05228	0.1
124.07569	0.5
129.05461	0.6
130.06496	1.1
132.08063	0.5
134.05995	0.4
144.08083	0.2
146.06061	0.1
148.07593	0.7
160.07541	0.4
172.07547	0.2
174.09166	0.1
198.05469	0.1
198.08978	0.1
212.73553	0.1
216.10075	0.2
219.48535	0.1
234.11250	0.4
252.12187	1.6
268.11823	0.2
270.13260	0.4
286.09973	0.1
286.12793	0.9
373.46616	0.1
377.24896	0.1
432.18515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.0
53.03917	0.1
53.96656	0.1
55.01869	0.1
55.05498	0.1
57.03427	1.1
59.04985	0.1
61.02908	0.3
69.03407	0.3
71.01347	0.1
71.04974	5.4
72.08134	0.1
73.02897	1.0
75.04455	0.3
78.64561	0.0
79.05466	1.3
81.03405	0.2
83.04962	0.6
85.02887	6.1
86.09692	0.1
87.04453	0.2
89.03910	0.1
91.05464	0.5
92.64476	0.0
94.19444	0.0
95.04940	0.3
96.04453	0.1
97.02869	0.3
99.04438	0.4
102.42735	0.1
105.07030	0.1
106.06533	100.0
107.04940	0.1
107.06831	0.1
108.08087	0.3
109.02805	0.1
111.04434	0.1
117.05526	0.1
118.06516	4.0
119.70717	0.1
120.08092	0.7
124.07600	0.7
127.03918	0.1
129.05455	0.8
129.06937	0.1
130.06491	1.1
132.08038	0.5
134.05939	0.5
137.05960	0.1
144.08084	0.2
146.05984	0.2
147.06543	0.1
148.07542	1.1
150.09071	0.1
160.07588	0.4
170.09645	0.1
172.07608	0.1
174.09117	0.3
176.07007	0.1
178.08502	0.1
187.30376	0.1
190.08554	0.2
198.05539	0.2
198.09152	0.1
216.06540	0.1
216.10126	0.3
234.07571	0.1
234.11160	0.6
234.74025	0.0
250.10570	0.1
252.12239	1.6
268.11819	0.2
270.13235	0.4
286.12845	0.7
414.17184	0.1
432.18484	0.4
439.35974	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	432.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
55.05506	25.0
57.03429	11.8
57.07076	12.5
65.85737	0.7
66.06232	1.0
67.05504	15.3
68.99782	2.3
69.07057	34.2
69.65085	1.0
71.08617	5.4
75.04462	4.8
79.05473	7.9
81.07037	23.8
83.08609	24.1
85.10181	4.6
85.97003	0.9
87.00814	29.3
88.01942	1.0
93.07026	10.7
95.08591	21.1
97.05095	1.0
97.05856	0.9
97.06496	4.6
97.10161	15.3
101.06024	1.0
105.01862	12.9
107.08583	9.2
109.10130	7.5
111.08044	3.7
111.11707	6.1
121.10133	11.7
123.11691	5.0
125.09566	2.3
135.11659	9.4
139.11105	1.2
140.91830	1.0
143.03377	2.4
149.13249	6.3
163.14809	1.7
177.16359	1.1
181.15822	1.1
206.29028	1.0
219.21101	8.4
237.22093	15.9
255.23131	5.0
313.54611	1.0
341.23447	1.2
351.81818	1.1
397.25781	100.0
415.26804	15.9
420.01453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89573	1.9
55.05506	22.0
57.03453	2.0
57.07064	8.8
59.08071	1.9
62.36402	1.9
67.05491	42.7
69.07060	39.8
71.04979	12.5
71.08611	5.8
73.05141	2.0
75.67652	2.1
79.05481	12.6
81.07037	53.3
83.08607	43.6
85.06557	2.6
91.05495	2.4
93.07030	23.4
95.08591	35.9
97.06528	4.0
97.10157	16.6
99.41391	2.5
107.08569	16.3
109.10152	100.0
111.08107	4.2
111.11651	2.4
121.10131	17.7
123.11644	21.4
125.09640	3.1
127.11189	65.5
133.10139	4.8
135.11705	15.7
139.11200	4.2
149.13255	3.2
187.13304	16.6
205.19604	5.0
223.20520	3.3
287.22183	38.3
349.31073	3.6
353.17102	2.8
359.29440	3.5
378.89529	2.2
382.90015	2.4
395.31580	41.0
406.51450	2.5
409.60315	2.3
413.32648	3.0
430.32370	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	431.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46580	0.3
55.01861	0.8
55.05509	3.3
57.03426	14.7
58.59457	0.4
59.04982	0.9
61.02909	2.8
62.65229	0.4
69.03411	5.3
71.01330	2.0
71.04975	34.5
73.02900	5.7
75.04456	10.1
78.91269	0.4
79.05465	0.5
81.03402	2.8
83.04970	8.0
85.02889	100.0
86.09695	2.5
87.04456	2.3
97.02868	8.5
99.04439	2.1
101.05983	0.5
103.03910	0.5
105.07006	2.6
109.02847	2.0
111.04432	3.3
116.01605	0.5
121.06457	0.4
127.03917	6.2
129.05457	17.4
129.06421	0.7
137.05933	0.6
145.04935	4.1
147.06512	11.2
151.82013	0.5
163.06056	1.0
169.43378	0.5
236.70309	0.4
255.08795	0.5
309.11722	2.1
431.18048	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	430.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
57.07049	1.5
66.45925	1.0
67.05489	11.9
69.07044	1.4
73.04723	1.4
75.61703	1.0
81.07051	1.8
83.08559	1.1
86.33606	1.1
91.05763	5.5
92.08672	4.2
93.07003	2.0
95.01629	2.5
95.08586	100.0
109.10107	1.4
113.09604	1.0
123.08041	6.1
135.30901	1.2
141.09050	3.9
159.10167	7.3
191.07330	1.6
239.09467	9.5
349.10275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65604	0.8
53.03936	1.7
55.01867	7.0
55.05506	33.1
57.03429	6.3
57.07066	2.2
66.98528	0.9
67.05492	52.8
69.03406	1.2
69.07055	45.8
69.07407	2.1
71.04978	6.6
79.05476	29.1
79.05901	1.5
79.46269	0.9
81.07037	80.9
83.04970	8.2
83.08604	35.0
85.06529	8.0
91.05453	12.4
91.62240	0.9
93.07027	47.7
95.04909	1.5
95.08585	100.0
97.06501	11.1
97.10153	11.1
101.05941	1.3
105.07032	9.4
107.08576	28.4
109.09383	2.4
109.10140	72.7
111.08054	8.5
111.11720	1.8
117.06986	1.5
119.08572	9.2
121.10101	33.4
123.08054	2.5
123.11691	12.2
127.11145	12.3
131.08522	9.8
133.10110	17.5
135.11649	14.3
137.09592	4.3
137.13245	4.9
139.11154	11.2
145.10117	9.0
145.12221	5.4
147.11659	5.1
149.09627	1.6
149.13222	8.2
151.11246	2.1
159.11694	7.7
161.13208	1.6
164.59735	1.1
165.12689	1.2
173.13205	4.0
175.14771	1.8
177.12598	1.0
187.13216	3.9
187.14799	1.6
195.13817	1.6
201.14835	2.4
203.12846	1.9
215.17899	13.4
233.18962	28.0
251.17882	1.5
251.20003	93.2
269.21060	99.9
303.61209	1.1
395.31497	23.1
413.32663	8.4
430.26437	4.4
445.13193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
54.81549	1.8
55.05491	3.0
55.19736	1.3
57.06865	1.3
57.07066	24.6
58.25445	1.4
64.33270	1.6
67.05485	8.5
68.39169	1.4
69.07033	2.7
71.08614	12.6
79.05471	2.0
81.07024	11.0
83.08578	2.5
85.10159	4.2
95.08563	8.6
98.09719	1.6
105.07021	2.5
107.08592	7.9
109.10145	9.5
119.08530	2.4
121.10145	3.8
131.08591	5.4
135.08028	4.0
135.11644	3.1
137.09573	16.2
145.10114	2.3
145.30989	1.7
149.09584	15.2
159.11671	6.3
163.11134	19.0
165.09079	100.0
173.09567	2.5
173.13200	3.0
175.07423	2.3
175.11180	6.6
176.08302	1.8
177.09096	17.3
187.11095	3.0
189.12730	2.1
191.10628	9.8
201.12694	2.4
203.10782	2.7
203.56558	1.7
205.12254	9.4
219.13800	2.3
233.15398	2.3
360.09677	1.9
371.34006	1.9
378.92258	1.5
429.31604	6.9
429.37109	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	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05502	2.9
57.07074	24.2
67.05505	2.8
68.10938	1.6
69.07061	8.2
71.08630	14.4
81.07047	11.2
85.10159	4.4
86.15952	1.8
93.07017	3.3
95.08606	7.0
105.07027	2.2
107.08617	12.1
109.10155	7.4
119.08531	1.9
121.10132	4.2
123.08047	1.9
133.83565	1.8
135.08052	8.9
135.11674	1.9
137.09627	15.5
149.09608	18.9
151.07530	2.7
159.11668	3.2
162.06773	2.1
163.11166	16.4
165.09096	100.0
174.10442	2.0
175.11125	3.6
177.09093	14.3
191.10600	13.3
203.10579	3.0
205.12285	9.1
233.15138	2.2
284.08099	1.8
401.34061	2.1
429.32108	5.4
429.37262	52.6
441.25586	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05488	3.2
57.07070	22.0
64.22459	0.7
67.05503	5.5
69.07035	4.5
71.08617	14.2
79.05457	1.4
79.11446	0.6
81.07034	8.9
83.04955	0.6
83.08595	2.8
85.10163	5.6
91.05462	3.1
93.07009	3.9
94.08368	0.6
95.08604	6.8
97.10147	1.2
100.61251	0.8
101.37134	0.7
105.07001	3.9
107.08577	8.8
109.06450	0.8
109.10140	7.8
119.08546	4.2
121.10115	6.2
122.07213	1.0
123.08040	2.7
123.11647	0.9
131.08524	1.6
133.10121	1.3
135.08023	9.0
135.11694	3.0
137.09587	12.4
139.07487	1.7
145.10080	4.0
149.09599	22.0
151.07498	1.0
157.10127	1.0
159.11696	4.5
160.08810	1.7
161.09489	0.9
163.11148	21.3
165.09079	100.0
173.09467	1.3
173.13214	3.4
175.07675	0.7
175.11086	5.3
176.08322	3.0
177.09077	15.3
177.12720	2.7
179.10704	1.0
186.10394	1.0
187.11156	1.6
189.12749	1.5
190.09813	0.8
191.10628	12.2
201.12752	3.1
203.10654	3.4
205.12218	11.0
212.78915	0.7
215.14366	1.0
219.13776	5.6
233.15396	2.9
247.16640	1.1
275.23404	0.7
289.21704	1.4
319.77667	0.9
401.33917	1.2
411.35983	1.1
429.31979	2.7
429.37170	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03934	5.4
54.81520	1.3
55.01853	2.1
55.05502	12.4
57.03428	11.3
59.96371	1.2
67.05497	12.8
69.03414	17.9
69.07054	2.3
70.06572	1.2
71.04971	5.3
72.08138	2.2
79.05473	11.6
81.03400	49.6
81.07044	11.3
83.04975	15.0
83.08624	9.5
83.09032	1.1
84.08119	1.6
85.02892	16.0
85.06493	1.9
87.04435	1.2
91.05476	17.8
93.07020	9.4
95.04953	18.4
95.08594	6.2
97.02874	33.4
97.06504	2.0
97.10123	1.2
99.04445	3.1
105.06998	15.3
107.04948	5.1
107.08579	5.4
109.02863	11.8
109.06513	2.9
109.10092	3.0
111.04427	5.5
111.08061	5.5
113.05991	2.5
119.08578	13.1
121.06490	1.5
121.10103	6.6
127.03908	5.0
129.05478	1.6
129.06998	6.0
131.08519	6.1
133.06523	1.7
133.10118	5.0
147.11690	7.8
149.09610	2.9
157.10106	7.4
165.12798	2.2
167.38823	1.1
175.11128	8.5
177.05458	1.6
191.10641	1.6
193.12234	25.6
195.51509	1.5
211.13263	32.2
245.03665	1.3
249.14644	5.4
267.15875	5.2
273.09528	5.0
285.16867	5.3
378.86667	1.3
381.18924	4.9
411.19983	2.7
429.21027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36505	0.5
56.64568	0.8
67.05482	1.0
81.07036	1.7
85.56745	0.7
91.05439	0.7
91.62982	0.7
93.07034	1.4
95.08592	1.4
111.08083	0.6
113.00017	3.4
124.64139	0.8
134.99718	0.8
147.26054	0.8
169.02541	1.4
215.12634	0.8
429.26001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
54.12349	1.3
55.01865	6.8
55.05506	16.8
55.36034	1.4
57.03427	15.8
61.02916	1.9
67.05491	20.5
69.03419	32.6
69.07037	5.8
71.04973	8.9
77.74083	1.6
79.05472	23.7
81.02932	3.3
81.03404	100.0
81.07044	26.8
83.04980	20.2
83.08620	22.9
85.02896	24.0
85.06538	2.1
91.05466	29.2
93.07050	14.2
95.04948	31.1
95.08577	6.8
97.02875	55.2
97.06518	3.2
97.10123	6.0
99.04453	3.5
105.07029	19.2
105.07625	2.1
107.04940	9.5
107.08578	11.0
109.02876	13.0
109.06495	6.3
109.10172	2.0
111.04419	7.6
111.08096	12.0
113.05996	2.8
117.03448	1.7
117.06988	3.0
119.08572	18.3
120.08151	1.4
121.06479	3.8
121.10119	8.5
123.08061	1.8
123.11637	1.9
125.09629	1.9
127.03877	12.4
129.05458	1.6
129.07001	12.6
131.08556	13.1
131.92128	1.6
133.06464	2.3
133.10127	11.6
135.04341	2.2
145.02823	3.8
145.06621	1.5
145.10104	2.1
147.08055	3.4
147.11652	18.3
149.09624	3.0
157.10083	12.5
160.22755	1.7
162.40474	1.4
163.11165	2.3
165.12791	2.5
175.11107	15.8
177.05415	2.4
193.12225	46.2
211.13266	49.2
249.14862	2.9
267.15909	3.0
273.63824	1.7
285.16919	11.6
303.22519	1.7
337.93503	1.7
354.50620	1.9
410.31042	2.1
411.19897	3.7
429.21094	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33483	1.2
55.05502	9.9
57.03439	15.4
57.07067	81.5
57.80781	1.4
61.52866	1.3
64.27763	1.3
67.05499	16.1
69.07050	15.8
71.08615	50.0
75.04417	1.4
81.07043	23.0
83.08598	14.1
85.10165	28.6
89.05965	1.9
93.07008	2.5
95.08584	36.0
97.10159	8.8
98.98447	100.0
99.11700	2.0
105.07044	2.2
109.10155	18.6
116.99473	3.7
123.11690	3.9
155.01025	98.3
173.02083	3.9
202.73796	1.9
239.23640	14.6
291.24341	1.6
313.27344	66.3
393.23999	62.2
428.27884	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	429.152
Annotation	SB 243213
Peak:m/z	Relative Intensity
53.29189	3.2
53.93021	4.0
70.06548	5.2
85.02879	8.3
86.09664	6.9
91.05463	4.9
119.04940	7.6
137.05891	34.5
138.06245	6.6
147.04370	20.6
158.14420	4.4
347.35416	4.1
358.08466	5.0
414.81439	4.6
429.15118	100.0
429.20828	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.5
57.03419	0.4
67.81078	0.3
67.87965	0.2
69.03404	1.9
69.07040	0.3
70.06574	0.7
70.08996	0.3
71.04966	0.7
72.08115	0.3
73.12496	0.3
81.03391	0.4
84.04483	14.2
84.08124	0.3
85.02881	5.7
91.05451	2.2
93.07018	4.7
95.04955	1.1
97.02851	1.3
98.97574	0.6
103.05464	2.3
107.04978	0.6
109.02824	0.4
111.08046	0.3
116.98575	0.4
121.06477	100.0
122.06756	0.4
127.03889	0.5
130.04967	9.1
130.05768	0.3
138.09105	9.2
145.04915	0.4
163.07477	0.4
170.74225	0.3
221.12816	2.4
225.04346	0.3
237.02667	0.4
250.10716	7.0
267.13333	14.2
300.14359	0.6
375.32648	0.3
412.16089	0.7
427.86615	0.3
429.18597	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	428.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77736	4.6
55.05493	9.3
61.41011	5.2
67.05488	38.9
69.07051	12.6
79.05470	38.0
81.07037	100.0
83.08590	10.4
84.14117	5.7
91.05460	25.0
93.07014	23.5
95.04944	7.9
95.08562	21.3
105.07024	27.3
107.04886	7.1
109.06507	13.9
109.10169	7.4
111.75272	6.0
117.07070	5.9
117.64303	5.8
119.08556	23.3
120.41339	6.0
121.10114	8.4
131.08533	7.1
133.10124	23.9
141.53940	5.5
145.10068	9.4
147.11659	8.3
147.60747	5.9
252.06310	10.6
270.07562	12.9
275.20013	57.8
293.21085	29.3
321.20306	5.8
371.11139	11.6
386.13419	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	428.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.9
54.81919	0.7
55.05508	9.2
57.03142	0.7
57.03427	18.5
57.07066	64.0
62.08477	0.6
67.05492	11.9
69.07050	10.6
71.04998	0.6
71.08612	41.9
75.04463	0.8
79.05477	1.5
81.07035	17.0
83.08604	11.0
85.10163	20.2
89.05999	1.7
92.08762	0.9
93.07029	1.3
95.04926	0.9
95.08005	1.3
95.08582	22.6
97.02912	1.0
97.06522	2.7
97.10149	6.9
98.98441	49.0
103.07558	2.6
105.06982	4.8
109.10133	12.1
116.99463	0.9
123.11671	4.4
125.13308	0.8
133.06448	5.2
137.05951	8.2
137.13254	1.1
140.01033	0.8
155.01013	31.6
157.04918	1.8
165.09091	11.2
165.16357	0.7
170.66397	0.7
173.02049	2.9
206.79634	0.7
239.23674	9.0
257.24722	1.2
313.27301	100.0
393.23911	16.2
411.27463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88554	0.5
53.03934	4.3
55.05493	0.5
55.78115	0.5
57.03432	1.2
61.02911	3.2
69.03421	12.9
69.07055	16.7
69.95137	0.6
70.06576	3.3
71.04967	5.6
72.88656	0.5
73.02897	2.8
76.73935	0.5
81.03399	16.5
84.16444	0.6
85.02888	69.8
85.34029	0.6
87.08086	17.5
91.05457	0.6
97.02872	22.3
99.04431	50.3
101.02320	0.7
103.03919	100.0
109.02865	15.3
112.42036	0.6
112.99051	0.6
115.07535	5.1
117.05525	0.7
127.03889	92.9
145.04938	27.0
163.05974	15.3
171.10033	1.1
187.05989	2.8
194.16702	0.6
202.06540	0.6
205.07068	1.1
206.02295	0.6
213.11235	1.4
231.12364	1.0
249.13341	2.2
253.07072	1.1
271.08060	3.0
273.13257	23.2
289.09048	4.3
291.14191	1.1
307.10138	5.2
357.15375	0.9
375.16315	3.4
378.61612	0.6
393.17618	5.1
428.19516	0.8
449.51459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.0
53.03933	1.1
53.97246	0.4
54.81461	0.4
55.01863	2.0
56.41836	0.4
57.03427	4.8
57.16096	0.4
60.04519	0.6
61.02917	10.1
67.05486	0.5
69.03069	0.9
69.03422	18.1
69.03805	0.6
69.07057	24.3
70.06564	3.5
71.01380	0.5
71.04982	2.6
72.08179	0.4
73.02905	4.3
81.03405	5.8
83.05015	0.5
84.04511	0.6
85.02893	100.0
86.09688	1.0
87.04462	2.1
87.84048	0.4
91.03940	5.1
91.05507	0.6
95.08540	0.4
97.02872	21.4
99.04434	4.5
99.08150	0.5
101.02346	0.9
103.03924	0.7
109.02851	8.7
111.08030	0.7
116.98565	0.6
121.06493	0.6
127.03902	22.5
136.06209	1.0
137.05962	4.3
145.04939	32.2
147.04391	0.9
163.06003	15.3
167.91280	0.5
168.43001	0.5
173.12860	2.0
179.68001	0.5
193.41293	0.5
204.45366	0.5
211.80147	0.5
231.12306	0.7
235.85158	0.5
237.02806	0.7
266.13977	0.6
325.11172	4.0
427.19232	0.7
428.20447	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	427.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01156	1.0
65.25268	1.2
79.45177	1.2
97.06496	1.6
97.99323	1.3
101.59154	1.1
105.07029	2.2
105.55341	1.0
107.04977	2.5
112.72768	1.2
113.43140	1.2
113.63333	1.2
120.01757	1.3
131.04893	1.8
131.14301	1.2
133.06525	1.4
134.69322	1.2
137.05960	2.8
147.04347	1.6
169.38509	1.3
273.07431	1.7
306.40106	1.3
313.71069	1.3
331.54797	1.6
333.05453	2.3
427.26566	100.0
428.26773	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	427.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12276	4.3
55.05513	40.1
57.07058	7.1
67.05488	62.3
67.36662	4.8
69.07051	52.8
71.08615	5.7
79.05478	8.1
81.07040	100.0
83.08604	27.9
85.10207	5.5
91.05421	5.6
93.07019	27.2
95.08599	80.8
97.10168	12.6
100.55627	5.4
107.08591	11.4
109.10159	42.8
110.36543	5.5
111.11766	5.7
114.61228	4.5
119.08586	5.9
121.10112	20.0
123.11697	10.5
135.11644	11.6
161.20021	5.4
176.61093	5.1
238.20587	5.1
273.95172	5.4
355.33322	7.7
373.34592	30.4
391.35736	71.0
427.29797	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	427.1936
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
52.97777	0.3
55.05503	0.5
59.13709	0.3
65.70815	0.2
68.47225	0.3
69.03400	0.3
70.06567	0.3
72.08112	0.3
81.80247	0.3
83.04956	1.9
85.02896	1.2
94.24762	0.3
97.06470	0.3
99.04437	0.5
103.03914	0.4
108.82919	0.3
108.96523	0.3
113.86413	0.3
124.91114	0.3
137.70016	0.3
165.08989	0.4
203.05249	1.3
224.73895	0.3
247.13058	1.2
265.14008	2.3
329.62079	0.3
335.70804	0.3
349.29495	0.3
409.18756	0.6
427.19290	100.0
428.19675	1.7
441.16336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81516	0.5
62.08538	0.6
66.27905	0.6
79.05489	1.0
83.00279	0.6
102.58458	0.5
102.59272	0.6
102.67619	0.6
105.07009	0.9
106.24930	0.6
106.46419	0.6
108.78182	0.6
137.05971	3.1
158.73615	0.7
166.72250	0.6
180.28378	0.7
380.49170	0.8
427.26605	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	427.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28328	0.5
55.05503	0.9
56.72241	0.5
56.96551	0.7
57.03428	0.7
64.34056	0.5
69.03419	1.1
69.07053	1.1
70.06576	0.8
71.04967	0.7
72.08168	0.7
72.34419	0.5
72.93823	0.5
81.03391	0.6
83.04986	0.7
83.08582	1.1
84.04452	0.6
85.02885	4.8
97.02857	0.7
98.97555	1.1
103.03933	0.7
113.02108	0.8
115.07613	0.6
119.08527	0.6
124.07565	2.4
124.94396	0.5
127.03860	1.4
133.61098	0.7
137.05997	4.1
141.35913	0.6
147.04359	1.0
153.57236	0.6
157.35652	0.6
172.97121	0.6
185.04190	0.9
203.05237	3.7
235.12981	3.1
237.02773	0.8
247.13017	1.1
397.18286	35.4
427.19772	100.0
428.19852	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.05482	0.3
57.03421	0.3
57.04531	0.2
59.04991	0.1
61.02893	0.2
61.24024	0.1
67.05459	0.2
69.03413	0.2
69.07048	0.1
70.06577	0.3
71.04957	0.3
72.08096	0.2
73.02882	0.2
81.03422	0.1
81.07003	0.1
83.04965	0.2
83.08569	0.2
84.08118	0.1
85.02880	1.0
89.64815	0.1
91.05470	0.2
94.04004	1.2
95.04928	0.2
97.02869	0.5
99.04389	0.2
103.03910	0.1
103.05437	0.1
105.07043	0.2
107.55901	0.1
109.02869	0.2
111.04410	0.1
112.05028	0.3
118.99331	0.1
119.04875	0.2
119.08512	0.2
121.10079	0.3
122.06018	0.1
123.06664	1.1
127.03893	0.1
133.05054	0.2
136.07631	0.1
137.06009	0.4
147.04326	0.3
148.06180	0.2
150.07719	100.0
151.08049	0.2
209.15355	0.3
210.15614	0.3
211.16011	0.1
282.11920	0.7
295.11426	12.4
327.71518	0.1
346.69751	0.2
427.14487	0.2
427.19363	3.2
428.14395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95213	0.6
53.03932	3.4
55.01849	0.7
55.05505	3.4
57.03426	2.7
61.02906	2.5
67.05478	0.9
69.03417	9.9
69.07039	0.9
70.06569	1.0
71.04971	4.4
73.02911	1.6
81.03404	12.3
81.07044	1.1
83.04959	0.9
83.08601	1.6
85.02892	60.2
85.10164	0.8
87.04454	0.7
91.03859	0.7
91.05466	1.3
95.04945	0.9
97.02885	15.9
97.06548	1.0
99.04440	45.6
100.11240	4.0
103.03926	100.0
105.06989	0.7
109.02856	16.6
110.05988	0.7
111.04417	2.6
127.03892	84.0
137.05939	1.4
145.04942	31.9
157.01736	0.7
163.05984	32.2
163.07344	1.3
165.75314	0.7
182.15395	4.7
183.51810	0.8
187.06007	2.9
200.50423	0.7
205.07037	1.3
210.14816	1.1
225.21727	0.7
271.08075	2.9
289.09079	3.0
302.67975	0.7
307.10077	7.1
360.15692	0.8
364.93243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.05482	0.3
57.03421	0.3
57.04531	0.2
59.04991	0.1
61.02893	0.2
61.24024	0.1
67.05459	0.2
69.03413	0.2
69.07048	0.1
70.06577	0.3
71.04957	0.3
72.08096	0.2
73.02882	0.2
81.03422	0.1
81.07003	0.1
83.04965	0.2
83.08569	0.2
84.08118	0.1
85.02880	1.0
89.64815	0.1
91.05470	0.2
94.04004	1.2
95.04928	0.2
97.02869	0.5
99.04389	0.2
103.03910	0.1
103.05437	0.1
105.07043	0.2
107.55901	0.1
109.02869	0.2
111.04410	0.1
112.05028	0.3
118.99331	0.1
119.04875	0.2
119.08512	0.2
121.10079	0.3
122.06018	0.1
123.06664	1.1
127.03893	0.1
133.05054	0.2
136.07631	0.1
137.06009	0.4
147.04326	0.3
148.06180	0.2
150.07719	100.0
151.08049	0.2
209.15355	0.3
210.15614	0.3
211.16011	0.1
282.11920	0.7
295.11426	12.4
327.71518	0.1
346.69751	0.2
427.14487	0.2
427.19363	3.2
428.14395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94360	0.4
54.49062	0.4
54.81871	0.6
62.69895	0.5
66.89906	0.5
69.04591	0.5
69.09370	0.5
77.84212	0.5
79.05456	0.7
92.64396	0.6
139.86592	0.6
156.23238	0.6
157.48621	0.6
183.95750	0.6
315.36520	0.6
353.39236	0.6
365.16492	0.5
407.24048	2.2
425.25021	100.0
440.94122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21856	0.5
52.74432	0.5
56.93095	0.5
59.58614	0.5
61.75025	0.5
73.36449	0.5
133.10071	0.9
142.12642	0.6
172.10432	0.6
206.52216	0.6
270.79507	0.6
425.25024	100.0
426.25043	0.7
449.12863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38721	2.9
54.81430	3.4
55.05504	28.2
57.07064	22.5
63.48154	2.6
67.05502	43.1
68.45503	3.1
69.07050	47.7
71.04996	3.0
71.08598	4.9
76.03805	4.4
79.05470	19.0
81.07041	59.6
83.08610	24.7
89.05995	6.6
93.07026	8.5
93.31197	3.1
95.08593	100.0
97.10167	15.0
100.50970	3.7
106.92091	3.6
107.08593	13.2
109.10143	26.2
121.10105	6.6
123.11699	4.1
133.10071	5.3
135.11662	7.6
137.13213	4.5
149.13278	3.9
239.57892	3.6
281.18060	4.3
389.37552	4.9
407.38821	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	426.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22399	0.3
72.70896	0.3
98.97563	1.8
101.00861	0.3
111.63460	0.3
116.98584	1.7
119.01902	6.6
134.99655	0.5
137.02905	3.3
147.31244	0.4
153.00838	0.7
158.99808	0.4
177.00917	15.2
178.00990	0.5
179.00803	0.4
182.99883	0.5
193.04131	0.5
193.98973	0.5
201.00899	1.2
217.04048	3.8
219.01971	28.5
225.00955	1.7
234.99992	2.9
236.00046	2.4
236.99704	1.3
240.98833	0.4
241.98810	0.4
242.03764	0.5
243.01886	5.4
246.48363	0.3
253.01056	1.4
254.01140	0.7
259.00009	5.5
260.00137	4.8
260.04501	0.7
261.03015	100.0
262.03201	4.1
263.02991	0.8
275.74048	0.3
277.00980	9.4
278.01129	6.4
279.00888	3.2
282.99966	12.0
284.00079	8.0
284.04587	1.3
284.99747	4.1
285.99918	0.4
291.99786	0.4
301.01019	22.4
302.01135	18.0
302.05322	0.5
302.05969	0.5
303.00778	8.7
304.00952	1.3
304.77951	0.4
319.02005	1.6
320.02255	1.4
321.01862	0.4
359.00278	0.3
360.99811	0.4
367.02252	1.3
385.03101	9.4
401.00903	1.4
402.01160	1.1
403.04437	13.2
407.99908	0.6
425.01184	1.7
426.01187	2.6
427.01031	0.7
435.51459	0.5
443.02103	6.4
444.02322	11.1
445.02209	4.6
446.01956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06476	5.5
59.06100	34.9
62.41020	5.6
97.54832	5.5
139.40004	5.4
177.57315	6.5
194.05154	6.9
207.06613	6.1
425.22900	100.0
425.32220	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	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23291	1.0
81.98512	1.1
91.39583	1.1
101.00846	14.5
113.00922	1.2
119.01901	50.3
123.11785	1.1
131.01869	16.4
135.31796	1.0
137.02061	1.1
137.02968	8.1
143.01872	36.8
145.03435	16.9
149.02934	2.1
155.01865	17.4
157.03438	11.7
161.02930	100.0
163.04509	2.6
167.01889	10.7
167.03101	1.3
169.03462	2.1
171.05003	5.8
172.24542	1.3
173.02940	40.3
175.04520	2.6
179.01886	5.0
179.03914	1.6
185.02934	59.1
187.04454	9.1
189.05933	1.4
191.02452	1.2
191.03941	9.8
197.02945	24.8
199.04462	1.6
203.03958	23.7
209.03085	1.4
215.04030	13.2
221.05083	1.4
227.03961	7.5
245.05020	90.4
246.05176	1.4
257.05069	6.1
263.06091	25.6
275.06027	11.2
293.07117	4.2
305.07184	9.7
335.08209	2.4
365.09259	7.1
425.06827	8.0
425.11749	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1781
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
53.55593	0.4
55.01858	0.3
55.05508	0.5
56.96544	0.5
57.03422	0.5
59.71323	0.4
60.04509	0.4
65.57964	0.4
69.03417	0.6
70.06581	3.5
71.04956	0.4
76.02220	0.4
79.05476	0.6
80.71888	0.4
81.03394	0.5
81.07041	0.9
84.04478	2.0
84.08131	0.6
85.02884	2.7
91.05413	0.5
93.07015	0.7
95.04974	0.5
95.08599	0.6
97.06523	0.5
99.04432	0.7
103.03921	1.7
105.06979	0.6
107.08557	0.9
107.90389	0.4
116.01728	0.7
116.06357	0.4
116.07028	2.9
120.08068	4.3
121.10087	0.4
127.03909	1.9
127.85346	0.4
133.10060	0.5
137.05974	1.7
151.03864	0.9
163.06021	0.8
203.05249	0.5
203.06961	0.5
209.15366	0.6
259.11060	1.9
260.11377	0.7
287.06769	0.6
357.07422	0.5
367.07956	0.4
368.04929	0.4
406.26511	0.4
425.17770	100.0
426.18103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94249	1.7
55.05511	2.6
57.07061	9.5
60.54358	1.8
61.68179	1.9
67.05487	9.5
69.07063	22.0
71.08631	4.2
79.05476	13.6
81.03402	2.4
81.07045	26.8
87.04398	2.0
89.06015	100.0
91.05464	11.0
93.07018	9.4
95.08591	10.1
97.10129	2.2
105.07029	13.4
107.07061	2.8
107.08579	4.8
109.06488	8.7
109.10151	3.4
110.25745	1.9
112.99996	3.9
119.08559	8.6
121.10110	2.7
131.08528	2.5
133.08600	31.5
133.10054	2.1
139.76064	2.3
145.10069	2.7
147.11687	4.7
151.09624	2.2
169.02606	2.7
177.11223	4.2
208.48746	2.6
211.21481	1.9
239.14839	71.3
257.19229	2.1
275.19989	18.4
291.47818	2.2
293.21008	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	425.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97977	0.7
54.81018	1.0
55.05502	5.8
56.05032	0.9
56.96281	1.8
56.96555	45.0
57.03431	1.6
65.30548	0.9
67.05486	2.2
69.03410	4.6
69.07036	3.3
69.35987	0.8
70.06578	1.5
71.04970	2.3
72.08112	0.9
73.78883	1.0
74.97581	0.8
79.05466	4.5
81.03384	1.4
81.07045	4.3
82.07327	1.0
83.04970	2.2
84.04485	1.4
84.96020	6.6
85.02880	7.3
85.06534	4.8
86.28809	0.9
91.05465	1.8
92.08581	1.7
93.07040	6.5
95.04953	4.8
95.08611	3.6
97.02892	2.2
97.06518	1.7
98.97565	40.9
99.04407	4.2
101.05961	1.1
101.46261	1.0
102.09157	1.1
102.97036	1.7
105.07027	4.1
107.04945	1.7
107.08586	7.7
108.08917	1.5
108.61446	0.9
109.06499	3.9
109.10146	5.9
110.97542	12.6
112.99146	1.7
114.10575	0.9
116.98605	26.2
119.04878	1.1
119.08588	1.7
120.08902	1.6
121.06493	1.0
121.10103	7.6
122.03671	0.9
122.10496	1.6
123.08051	6.4
125.09560	1.1
128.98586	21.5
130.08578	1.4
131.00154	1.7
131.08525	1.7
132.08870	0.9
133.10103	1.4
134.99641	11.8
135.08038	1.5
137.05974	12.5
138.06248	1.5
140.98497	1.2
143.00143	5.6
144.98021	1.0
145.07654	1.0
145.10083	1.2
146.99632	17.4
147.04395	4.8
147.11649	1.3
149.01228	2.2
149.09605	2.0
153.00771	1.4
153.09090	1.6
158.99651	5.7
161.01167	14.2
161.13234	1.0
162.13643	1.0
162.99071	1.7
163.11176	1.4
165.00674	1.7
167.06981	1.4
167.10660	1.1
170.99672	4.4
173.13191	1.4
175.14897	1.1
177.00688	7.2
179.02295	5.1
179.14355	1.5
187.02881	1.0
189.00656	6.3
191.00082	1.2
191.10692	1.0
191.14275	1.4
195.01659	1.8
195.03250	11.9
197.15410	1.7
201.00644	2.3
202.99924	1.2
209.01192	4.2
209.11792	1.7
209.15324	2.3
210.15742	1.1
211.02724	1.2
213.04303	29.2
219.01727	12.4
221.01169	8.2
226.15118	1.4
227.12759	1.3
227.16331	4.2
228.16774	1.6
231.05322	4.8
235.18028	1.0
237.02756	30.0
239.02222	46.6
255.03824	1.2
257.03278	29.4
259.11011	1.6
263.02255	3.8
281.03278	1.5
295.04572	1.0
317.03317	1.5
364.63525	1.1
365.05365	100.0
383.06424	11.1
406.07770	1.3
425.18365	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30400	1.1
51.30264	1.3
55.05273	1.8
55.05506	33.6
57.03418	2.6
57.07074	2.4
59.04976	3.1
61.02922	1.7
67.05488	9.2
69.03411	9.2
69.07056	14.1
71.04967	8.6
79.05465	8.4
81.07026	14.4
82.81612	1.2
83.04963	16.3
83.08601	32.2
85.02897	19.7
85.06509	6.7
91.05455	9.5
93.07025	28.2
95.04948	56.9
95.08588	13.0
97.02860	5.6
97.06515	24.2
97.10136	7.4
99.04427	13.2
99.08092	2.5
105.07020	20.2
107.08572	42.9
109.06499	32.3
109.10149	25.4
111.08044	7.8
113.09589	1.6
115.07555	23.4
117.06989	1.7
119.08547	22.1
121.10110	64.0
121.93357	1.3
123.08065	2.5
123.11673	10.1
125.09601	8.3
127.03870	1.8
131.08540	13.7
133.10098	44.1
135.08002	5.3
135.11632	2.9
137.05986	1.5
142.79329	1.2
145.04884	2.1
145.10136	9.1
147.11658	25.1
149.09560	2.1
149.13248	10.1
151.11162	26.0
153.09079	23.7
158.10861	2.6
163.14778	9.8
165.12711	1.5
167.14279	29.5
171.10069	1.6
173.13217	28.5
175.14796	38.0
190.27809	1.3
191.10616	2.7
191.14275	23.5
193.15857	2.1
209.15326	100.0
227.16365	48.0
227.18449	2.5
341.47968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94708	0.8
53.03942	1.2
55.01866	2.4
55.05506	20.9
57.07066	0.9
65.03936	1.5
67.05492	29.2
69.07056	14.8
71.04968	4.1
77.87061	1.1
78.59589	1.0
79.05480	26.5
81.07042	33.9
83.04938	1.5
83.08617	6.4
85.06508	2.3
91.05463	50.3
93.07026	30.5
95.04963	4.6
95.08589	23.7
97.06499	2.2
97.10159	1.4
105.07017	62.1
107.04910	1.7
107.08581	16.9
109.06487	4.0
109.10162	7.2
117.06992	21.4
119.08563	48.8
119.09402	2.0
121.06491	3.9
121.10130	7.0
123.08060	1.9
125.09672	1.0
128.06169	1.8
129.06982	12.3
131.08549	43.0
132.09454	1.1
133.06461	1.5
133.10098	19.4
135.08018	1.8
135.11659	1.9
137.09644	1.3
141.07007	5.9
142.07826	1.2
143.08527	15.1
145.06499	1.4
145.10095	22.2
147.08076	1.7
147.11668	5.7
149.09517	1.7
155.08569	8.1
157.10100	6.9
159.11693	9.4
161.09512	1.7
163.11136	1.1
165.33731	0.9
167.08589	1.5
169.10109	10.1
171.08066	1.1
171.11668	6.9
173.13232	2.3
181.10068	2.2
183.11589	3.7
185.13281	1.1
193.23967	1.1
195.11787	1.1
197.13255	5.1
199.14767	1.4
209.13263	2.5
211.14784	3.7
213.12695	1.5
223.14804	2.1
241.15761	1.5
247.16872	4.7
261.18430	2.5
335.23645	4.5
343.26245	1.8
353.24698	17.1
371.25739	24.9
389.26794	100.0
407.27899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96327	0.8
53.08453	1.2
55.01854	1.7
55.05502	36.0
56.96549	6.2
57.03424	5.0
57.07056	4.4
59.04977	2.2
61.02909	1.4
67.05490	7.4
69.03413	9.2
69.07054	15.6
70.06564	1.9
71.04960	9.4
79.05445	8.8
81.03407	1.8
81.07035	28.9
81.07486	1.8
83.04958	18.7
83.08601	25.6
84.95974	1.2
85.02889	18.4
85.06526	7.6
87.04436	1.8
91.05453	11.1
92.08654	1.0
93.07021	27.4
95.04943	56.9
95.08585	16.0
97.02873	5.9
97.06504	22.9
97.10152	8.4
98.97560	6.4
99.04429	21.2
99.08076	2.2
101.06008	4.9
105.07008	23.9
107.04969	1.5
107.08574	40.9
109.02905	1.5
109.06501	23.5
109.10143	23.6
110.97511	1.9
111.08066	7.8
113.09543	1.3
115.07541	23.3
116.98570	2.2
119.08540	20.7
121.10116	57.2
123.08044	9.5
123.11682	7.8
125.09573	10.1
127.03902	2.5
131.08527	11.7
133.10100	41.2
135.08041	5.7
135.11658	5.5
137.05965	14.3
139.11215	2.0
143.08507	1.2
145.04964	1.6
145.10109	6.2
147.04448	1.2
147.11659	15.3
149.09633	7.1
149.13242	13.4
151.11156	30.4
151.12338	1.4
153.09105	18.5
153.12708	1.6
158.10878	1.3
163.11131	5.1
163.14819	11.7
167.10655	1.4
167.14265	30.2
168.11104	1.2
173.09613	1.7
173.13234	22.4
175.14771	47.7
183.28993	1.1
184.94615	1.2
189.12698	1.4
191.10680	7.0
191.14288	23.5
193.15836	15.0
195.03322	1.5
209.11833	4.9
209.15334	100.0
213.04324	2.8
219.01773	5.3
227.12885	3.4
227.16376	36.4
237.02789	5.7
239.02277	7.0
257.03369	2.5
269.52655	1.2
365.05374	17.7
420.93390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52521	0.8
53.03941	1.0
54.15189	0.9
55.01870	1.2
55.05508	37.9
55.39807	0.9
57.03436	1.7
57.07071	4.1
59.05005	3.6
59.63630	0.9
61.02914	1.0
67.05489	5.3
69.03412	7.2
69.07065	13.8
71.04970	5.8
73.06545	1.0
79.05470	6.7
81.07029	9.9
83.04967	19.8
83.08611	25.7
85.02886	11.1
85.06544	7.7
85.37555	1.0
87.04471	1.0
91.05453	7.0
93.07030	39.5
95.04948	35.8
95.08582	10.5
97.02866	1.8
97.06480	7.7
97.10156	2.6
99.04447	8.9
99.08097	1.9
105.07016	10.1
107.08574	44.3
107.31501	1.1
109.03860	1.2
109.06508	13.3
109.10144	18.1
111.08066	7.9
115.07572	12.0
119.08548	13.4
121.10126	100.0
123.08024	2.4
123.11696	13.1
125.09623	9.0
127.03870	1.6
129.06972	1.1
131.08566	6.9
133.10110	23.2
135.08025	4.0
135.11687	5.6
137.05992	5.1
137.09489	1.3
139.11201	2.2
145.10092	3.6
147.11676	5.5
149.09517	1.4
149.13249	6.2
151.11177	23.0
153.09113	13.5
153.89250	1.0
160.53806	1.0
163.11194	1.5
163.14798	20.3
167.14290	34.1
167.15611	2.1
173.09573	1.1
173.13255	14.6
175.14833	2.4
191.10635	1.4
191.14287	25.3
209.15344	93.9
217.09721	1.3
227.16345	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	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59708	0.6
53.03940	3.1
55.01857	3.2
55.05510	6.9
57.03420	3.9
57.07055	4.9
57.39494	0.7
59.04978	1.8
60.04507	1.0
61.02906	10.2
64.33147	0.7
67.05499	9.8
69.03416	14.6
69.07054	26.3
69.71768	0.7
70.06568	0.7
71.04986	6.4
71.08580	0.7
73.02897	1.8
74.91471	0.7
79.05470	8.7
81.03374	6.3
81.07041	39.8
83.04963	8.2
83.08604	5.6
85.02889	50.3
85.06509	5.2
87.04451	9.0
91.03923	1.7
91.05451	14.1
92.09286	1.0
93.07026	19.3
95.04942	8.3
95.08585	36.7
97.02879	14.7
97.06497	6.9
97.10150	1.5
99.04452	4.8
103.03922	1.7
105.06362	1.5
105.07013	23.9
107.04939	4.5
107.08572	29.9
109.02846	3.4
109.06493	5.3
109.10154	7.7
111.04396	1.5
111.08014	1.4
113.05997	6.4
115.07474	0.8
117.06982	5.9
119.08570	16.9
120.08062	1.2
121.06490	10.7
121.10125	17.0
123.08067	3.6
123.11680	100.0
125.05949	4.4
125.09593	1.0
127.03880	10.2
131.08542	21.8
133.10109	26.3
135.08031	17.4
135.11665	10.5
137.05963	2.0
139.07507	1.4
143.08537	1.3
145.04935	13.4
145.10092	9.4
147.11665	24.0
149.09586	4.0
149.13240	17.6
151.11205	1.2
153.09071	1.6
158.10896	6.0
161.13280	6.0
161.14412	0.8
161.50957	0.8
163.05975	4.4
163.11090	1.5
163.14792	12.9
165.12778	1.1
167.14291	1.4
173.13228	42.9
173.14732	1.4
187.05963	1.0
191.14282	34.0
209.15340	61.3
227.16380	70.0
277.88629	0.8
282.94034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.2
53.03935	1.3
55.01865	1.9
55.05500	20.6
57.03422	8.0
57.07068	2.0
59.04996	1.5
62.80861	1.0
64.33401	1.4
67.05489	5.3
69.03407	7.9
69.07056	34.5
70.07394	2.5
71.04981	15.7
72.06796	1.1
72.08138	1.5
79.05454	10.5
81.03388	2.1
81.07028	37.3
83.04520	1.7
83.04971	23.5
83.08610	14.4
85.02890	25.6
85.06528	4.8
86.09722	1.2
87.76141	1.0
91.05467	5.2
92.09222	1.5
93.07015	30.3
95.04947	39.8
95.08582	18.9
97.02865	6.1
97.06493	8.9
97.10191	1.6
99.04442	13.4
99.08068	8.2
101.05979	2.1
103.55853	1.5
105.07010	11.4
107.08573	45.7
109.02848	2.3
109.06514	10.6
109.10143	22.3
111.08090	12.3
115.07551	2.0
117.06975	1.6
119.08530	14.5
119.09235	1.2
121.06485	4.7
121.10130	48.0
123.08061	7.2
123.11700	5.3
125.09622	5.3
127.03894	2.1
127.07525	9.7
131.08562	8.1
133.10101	22.2
134.95822	1.7
135.08049	7.8
135.11667	19.5
137.09593	5.0
139.11154	2.5
145.04919	1.4
145.10115	2.0
147.04404	2.7
147.11665	11.2
148.97433	1.5
149.09608	7.3
149.13202	18.4
149.94572	1.8
150.96927	1.4
151.11191	17.5
153.09076	12.9
153.12570	1.5
158.10922	2.9
163.11191	2.0
163.14781	15.3
165.12695	14.4
165.96994	1.4
166.98445	1.3
167.10638	1.4
167.14268	15.5
173.13229	15.1
175.14798	1.5
176.96886	6.0
178.96483	8.3
179.14311	1.9
190.98402	1.3
191.10596	2.3
191.14285	38.4
191.15918	2.2
197.15388	2.5
198.66206	1.3
202.98499	7.9
209.12157	3.0
209.15331	100.0
227.12939	1.8
227.16367	36.7
227.18434	1.9
237.77904	1.4
245.17412	2.2
263.00510	3.0
296.92538	1.2
305.05405	1.5
307.04849	5.8
323.02686	2.1
371.20990	1.3
405.16440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
55.05494	6.9
57.03430	3.2
57.07057	4.9
59.04979	3.2
61.02903	5.2
67.05499	7.9
69.03407	6.5
69.07053	18.1
71.04973	3.6
73.02905	1.0
79.05466	12.2
81.03397	1.4
81.07037	42.1
83.04961	10.1
83.08619	4.0
84.12947	0.8
85.02891	18.4
85.06522	4.7
87.04441	8.6
91.05460	15.2
93.07020	27.0
95.04944	7.9
95.08585	38.8
97.02884	4.0
97.06511	6.0
97.10162	1.4
99.04433	1.7
103.03905	1.3
105.07007	25.4
107.04944	1.6
107.08574	35.9
109.02825	1.1
109.06503	7.0
109.10137	6.0
111.04446	0.9
111.08079	1.9
113.05999	9.0
113.44621	0.8
117.07001	7.5
119.08549	18.0
121.06492	10.2
121.10111	19.6
123.08068	2.0
123.11684	74.4
125.05957	6.2
125.09526	1.2
127.03887	1.8
131.08546	23.3
133.10101	30.5
135.08031	12.8
135.11685	13.9
137.06021	0.9
137.13249	1.9
139.07527	1.1
141.12720	1.4
143.08459	1.4
145.10095	9.8
147.11670	34.7
149.09546	1.3
149.13239	23.9
151.11208	1.3
153.09077	4.0
153.12791	1.3
158.10898	8.6
161.13206	8.7
163.14784	12.5
165.12659	1.1
173.13220	45.9
184.07372	1.9
191.14284	34.4
209.15338	49.9
227.16382	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	424.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
55.05502	7.7
57.03447	0.8
60.88994	0.7
61.35354	0.7
69.03409	2.1
70.06571	1.5
70.17043	0.8
71.04978	5.2
73.02880	0.9
77.08775	0.9
78.01821	0.8
79.05482	1.2
81.03395	1.2
81.07087	1.0
82.93462	0.8
83.04968	3.9
85.02887	5.8
86.80038	0.8
87.04380	0.9
91.05428	1.0
93.07027	5.3
95.08569	0.9
97.02879	1.6
97.06514	1.6
99.04430	23.6
101.06001	5.9
103.37321	0.8
105.07019	5.0
107.08595	3.4
109.06523	5.7
111.08084	1.0
117.07014	1.4
119.04890	1.2
119.08543	15.0
119.20239	0.9
120.08067	12.6
121.06477	11.6
121.10123	27.0
121.58698	0.9
130.07841	1.3
131.08542	6.1
135.04329	7.3
135.08052	5.1
135.11676	1.8
145.10120	20.3
147.08043	3.8
149.09570	11.1
154.74736	0.8
155.08566	1.9
155.72247	0.9
158.07208	6.4
161.09610	1.0
163.11165	17.5
166.08614	0.9
173.09576	24.9
174.71677	0.9
177.35297	1.0
179.10635	1.1
181.12201	4.8
191.10635	100.0
209.11702	39.2
227.12749	21.3
245.13803	4.8
439.34781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.81316	0.9
55.01858	1.6
55.05503	31.4
56.05022	1.4
56.96518	0.9
57.03427	6.7
57.07060	2.6
58.99549	1.8
59.04984	2.8
61.02924	1.8
65.03909	1.2
67.05491	7.5
69.03413	8.2
69.07056	12.8
70.06575	2.2
71.04970	7.1
73.87618	1.0
74.00661	1.3
76.02206	7.3
79.05480	8.4
81.03388	1.4
81.07038	23.1
83.04967	20.3
83.08608	19.5
84.04486	7.1
84.08147	1.9
85.02887	13.3
85.06533	6.5
91.05455	6.5
92.08810	1.9
93.07025	26.1
95.04947	49.1
95.08585	9.3
96.05269	1.1
97.02872	6.5
97.06507	10.9
97.10143	5.5
98.09671	2.6
99.04443	14.7
99.08064	6.6
102.05488	1.4
105.07024	10.1
107.08582	33.3
109.06511	10.0
109.10143	17.6
111.08083	9.1
113.05933	1.5
115.07545	6.5
116.01681	8.2
119.08581	8.9
121.06496	1.4
121.10120	65.4
123.08053	4.6
123.11694	7.9
125.09602	6.3
127.03903	2.9
129.06805	1.2
131.08522	8.8
133.10092	18.3
135.08031	1.5
135.11667	6.8
136.07626	1.3
137.05981	2.4
137.09592	1.9
137.13196	1.2
139.11121	1.5
145.10118	6.2
147.04398	2.1
147.11674	7.1
149.09625	5.4
149.13269	5.7
151.11140	26.6
153.09087	16.8
156.08383	5.0
156.10205	2.4
157.06799	1.9
158.10912	1.7
162.02193	1.7
163.11171	2.9
163.14801	13.1
165.12659	2.3
167.14291	27.1
173.09579	1.8
173.13228	12.1
191.10643	7.2
191.14296	15.1
209.11745	8.4
209.15340	100.0
226.15111	1.5
227.12712	6.5
227.16412	19.3
245.13933	2.2
259.10995	21.8
406.16299	2.0
445.08731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01864	1.0
55.05507	0.7
56.96555	0.5
57.03416	1.8
61.02907	2.3
67.05490	2.3
69.03072	0.6
69.03420	11.9
69.07054	0.9
71.04978	3.7
72.08131	0.5
73.02899	1.1
74.56287	0.4
79.05479	1.1
81.03404	13.7
81.07031	2.5
83.04958	0.7
83.08624	0.5
85.02892	70.2
85.06533	0.6
91.05481	1.0
92.08687	0.8
93.07021	0.9
95.04960	0.8
95.08585	2.4
97.02872	19.2
97.06534	0.7
99.04439	44.5
103.03925	100.0
105.06992	0.9
105.11295	0.5
107.08595	0.9
109.02868	14.8
109.10118	1.9
111.04427	0.5
113.05974	0.6
114.36392	0.5
121.10144	1.1
123.08028	0.9
123.11679	2.6
127.03896	88.3
135.11717	0.5
137.05934	2.5
137.09605	0.8
145.04942	35.3
147.04373	0.5
161.79593	0.5
163.05992	35.1
163.11212	0.6
165.09081	0.9
167.10660	0.5
169.04990	0.5
173.13297	0.7
187.05965	3.9
205.07088	2.7
209.15405	1.0
227.16507	0.9
253.07050	1.0
271.08154	3.6
289.09106	5.1
307.10150	9.5
353.40610	0.5
389.17831	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64256	2.2
52.94490	1.9
53.03933	3.7
55.01870	22.8
55.05509	19.1
55.66637	2.0
57.03440	24.3
57.07060	2.1
61.02906	3.5
67.05489	24.8
68.02677	2.2
69.03074	3.5
69.03417	74.2
69.07049	11.4
71.01348	2.7
71.04977	4.4
73.02900	18.4
75.41726	2.0
79.05482	24.4
81.03407	36.3
81.07053	23.2
82.03745	3.1
82.04173	17.3
83.04972	20.9
83.08600	14.3
84.02129	2.6
84.87097	2.4
85.02370	3.2
85.02893	100.0
91.05461	30.2
92.08313	2.5
93.07037	20.1
94.07791	3.3
95.04958	31.7
95.08585	14.8
96.05742	5.4
97.02884	25.7
97.06505	9.1
97.10135	15.0
99.04429	17.7
101.02348	4.3
103.03934	20.0
105.07017	13.2
107.04932	6.2
107.08562	16.0
109.02860	3.4
109.06486	5.0
109.10144	4.5
111.04461	4.0
111.08054	3.9
112.40278	2.7
117.06985	4.3
119.08540	13.6
121.06487	3.2
121.10117	9.6
123.08018	11.1
125.09605	5.1
127.03900	59.7
129.06993	3.4
131.08539	9.3
133.10107	9.3
135.08090	4.3
137.05969	19.0
137.09554	2.8
145.04968	24.7
145.10098	3.6
147.04396	3.4
147.07983	2.8
147.11720	3.2
149.05888	3.1
152.68967	2.5
157.10080	9.3
161.04430	4.1
163.05931	3.7
163.11208	4.7
164.11940	4.0
166.07018	3.6
175.11250	3.4
180.08621	3.1
182.12967	3.6
189.11253	5.1
192.11389	13.6
193.12175	16.5
204.32562	2.4
209.11516	2.4
210.12480	24.8
211.13300	27.0
227.16344	4.8
228.13521	35.4
245.13744	15.1
393.91211	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	424.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70181	0.5
55.01866	0.6
55.05489	0.9
57.03422	2.9
61.02906	0.8
66.55530	0.6
67.05489	1.3
69.03413	2.8
69.07051	1.1
70.06567	1.2
71.04977	2.5
72.08123	0.9
72.33785	0.5
79.05487	2.3
81.03372	0.9
81.07037	3.0
83.04958	2.3
85.02886	5.0
85.06539	2.4
91.05486	4.0
92.09444	0.6
93.07022	5.1
93.19360	0.5
95.04961	0.8
95.08574	2.8
97.02869	0.9
97.06499	0.8
98.97546	0.5
99.08100	0.7
101.06000	1.1
105.06992	3.9
106.36417	0.5
107.04948	0.7
107.08579	6.2
109.02884	0.5
109.06496	1.2
109.10145	3.7
112.07574	0.6
119.08561	3.7
121.10120	5.8
123.11701	0.7
125.09666	0.6
127.07580	0.6
129.05470	0.8
131.08540	1.4
133.10107	10.1
135.07980	0.6
135.11641	0.8
137.05937	0.7
137.09589	0.8
144.05138	0.6
145.10075	0.7
147.11696	3.2
149.09573	0.9
149.13260	2.1
151.11165	1.0
161.13214	1.2
163.11110	0.7
163.14799	0.7
165.12822	0.7
173.13243	5.2
191.10646	0.6
191.14287	3.5
195.82632	0.6
202.93941	0.7
209.11798	1.1
209.15358	7.0
227.12927	1.9
227.16447	2.7
241.13390	3.4
245.13744	0.6
245.17500	3.6
255.72433	0.6
278.13013	1.0
292.14447	3.4
302.12894	1.1
303.13641	10.2
304.14313	4.4
305.15240	0.9
306.16031	1.1
316.14441	1.2
317.15149	6.0
318.12329	4.4
318.15970	2.1
320.13919	0.7
320.17471	12.8
330.15805	0.9
332.13861	8.7
332.17581	11.9
333.14545	1.1
346.15463	7.6
347.16190	10.1
348.13354	1.2
348.16983	4.6
350.18604	2.2
360.17068	0.9
363.15768	1.3
378.18066	92.7
379.18542	1.0
391.15002	1.1
393.16617	1.0
424.18610	100.0
425.18790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
55.05509	23.8
57.03431	12.0
57.07072	11.7
66.91138	1.1
67.05494	26.9
69.07055	32.6
71.04965	2.4
71.08602	4.9
79.05482	17.1
80.49380	1.1
81.07038	34.1
83.04980	1.6
83.08607	14.7
85.06515	2.1
91.05445	9.0
91.77838	1.3
93.07015	20.7
95.04939	2.6
95.08587	25.8
97.02850	6.4
97.06518	5.0
97.10159	7.4
98.98446	19.5
99.04429	2.8
105.06999	11.0
107.08581	16.1
109.06501	23.3
109.10127	11.8
111.08065	3.1
117.06992	2.4
119.08559	10.5
121.10117	12.5
122.07261	1.4
123.08043	76.7
123.11710	2.2
131.08548	2.5
133.10107	6.0
135.08034	13.9
135.11691	5.4
137.09599	2.3
143.08504	1.3
145.10118	5.3
147.11665	2.9
149.09602	2.9
149.13214	5.3
155.00951	9.2
155.66559	1.2
156.75558	1.4
158.43678	1.3
159.11674	2.6
161.13226	1.7
173.13211	1.7
177.12715	2.8
179.14281	67.8
193.15820	1.3
205.15964	2.1
251.23714	1.9
267.30557	1.4
275.19986	5.4
293.21127	2.3
303.26855	1.5
325.27325	32.6
331.26266	34.7
349.27368	7.6
423.30991	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	423.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08068	0.9
51.41214	0.8
53.03940	1.6
54.82082	0.9
55.01857	1.8
55.05507	23.5
56.49561	0.9
57.03433	10.8
57.07066	12.4
67.05495	24.8
69.03419	2.2
69.07055	27.1
71.04971	1.8
71.08605	6.9
79.05464	14.8
81.07039	30.2
83.04968	2.2
83.08604	15.8
85.06529	2.5
91.05473	8.9
92.09275	2.2
93.07015	20.7
93.07504	1.5
95.08582	24.2
97.02885	5.1
97.06512	4.6
97.10159	7.7
98.98445	23.4
99.04477	1.6
103.89577	1.0
105.07018	6.7
107.08582	10.2
109.06499	26.8
109.10134	10.3
117.06998	2.0
119.08546	5.3
121.10117	12.6
122.07257	1.3
123.08051	44.6
123.11700	2.7
128.22308	1.0
131.08566	4.2
133.10130	4.6
134.55534	1.0
135.08022	8.2
135.11705	8.5
137.09645	1.8
145.10098	2.4
147.11697	1.8
149.09575	1.3
149.13292	2.0
155.00978	12.7
159.11681	2.0
179.14275	100.0
193.15839	2.1
197.68912	1.1
205.15915	1.9
233.22690	1.2
251.23665	6.8
266.18005	1.1
275.19922	1.7
285.87891	1.3
303.26865	1.8
325.27301	36.1
331.26208	22.7
349.27441	4.2
363.77707	1.4
423.31012	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97063	2.5
53.03930	4.0
55.01859	14.9
55.05501	25.1
67.05497	85.6
69.03429	22.4
69.03748	3.4
69.07060	26.1
71.01340	3.4
71.04946	4.6
79.05049	5.3
79.05479	76.7
81.03387	17.9
81.07042	83.5
83.04971	3.6
83.08614	4.3
91.05460	45.8
93.07029	100.0
95.04956	5.1
95.08580	57.7
97.02869	84.1
99.04428	20.0
105.03409	3.3
105.07026	39.9
107.08588	32.4
109.02843	4.5
109.06480	3.7
109.10123	23.2
117.06966	15.2
119.08544	27.4
121.10133	43.2
123.08027	4.4
127.03905	16.3
127.95064	3.3
131.08569	22.7
133.10086	16.8
135.11649	24.2
145.10124	13.1
147.11635	6.7
149.05910	5.2
149.13278	4.7
152.89558	3.1
159.11751	5.6
161.13231	5.2
165.17589	3.5
171.11668	3.6
173.13243	6.8
199.10948	3.2
243.21060	6.1
261.22119	28.7
339.23169	5.1
357.24088	4.7
382.16138	4.0
423.26880	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	423.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11634	5.6
55.05503	39.0
57.03450	9.4
60.73404	5.8
64.25426	5.8
67.05497	60.3
69.07049	57.5
79.05471	16.5
81.07044	66.8
83.08608	38.9
86.63382	6.7
91.05463	12.6
93.07022	15.8
95.08598	50.1
96.08945	13.8
97.06528	11.7
97.10149	33.1
101.82625	6.8
102.05441	6.3
105.07034	10.2
107.08601	11.9
109.10154	33.6
110.10502	7.5
112.39994	7.4
119.08582	11.1
121.10109	10.2
122.10398	8.2
123.11726	9.8
124.40138	6.3
132.10178	7.5
133.10075	8.2
135.11702	31.2
147.11720	7.1
193.16238	8.0
217.19456	10.1
235.20506	8.3
327.25232	42.4
328.25595	26.6
387.27252	39.1
388.27777	30.8
423.21143	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	423.214
Annotation	Fludrocortisone acetate
Peak:m/z	Relative Intensity
53.55561	3.6
55.05511	4.7
56.01884	5.1
56.11930	3.8
56.96558	3.8
67.05483	10.3
79.05521	5.1
81.07056	7.9
83.19482	5.0
91.15081	4.2
93.59723	5.0
123.49857	5.2
161.09587	5.9
240.23274	6.5
247.81699	4.9
284.17279	4.7
321.16583	6.4
327.83939	5.1
415.10681	6.3
423.21332	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	423.235
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
51.03199	0.3
53.17513	0.3
53.56525	0.3
54.81786	0.3
55.05492	0.4
81.07053	0.4
83.73118	0.3
104.94942	0.3
174.09406	0.4
177.09070	1.5
178.09406	0.8
226.72768	0.4
230.91252	0.4
262.22461	0.4
309.16922	0.5
423.23459	100.0
424.23669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15878	0.6
56.96542	1.3
57.03420	1.1
58.99577	8.1
61.02902	0.9
67.05492	8.0
69.03419	7.3
69.06715	1.3
69.07058	21.5
72.08127	4.2
76.02200	1.9
81.03425	1.5
85.02895	11.6
95.04969	3.3
97.02872	5.4
98.97537	0.8
99.02649	1.9
99.04491	1.6
101.04221	60.6
101.43807	0.9
102.03830	0.9
107.94975	0.8
109.02858	1.6
110.06046	1.6
110.07179	0.9
112.07588	2.0
124.73379	0.7
127.02131	9.0
127.05751	3.4
129.03690	1.4
138.05461	1.0
140.07045	8.3
155.01610	1.4
158.99622	1.0
161.09116	0.9
170.06320	4.3
170.07828	0.9
171.01363	0.7
172.04240	100.0
180.04797	1.7
182.08113	3.7
197.07408	4.3
198.05814	4.9
214.05264	8.2
215.08501	5.2
237.02855	0.8
238.05348	0.9
244.06349	4.6
261.09012	8.3
267.02820	0.9
334.09506	1.8
377.13586	3.2
382.88028	1.0
423.14206	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15878	0.6
56.96542	1.3
57.03420	1.1
58.99577	8.1
61.02902	0.9
67.05492	8.0
69.03419	7.3
69.06715	1.3
69.07058	21.5
72.08127	4.2
76.02200	1.9
81.03425	1.5
85.02895	11.6
95.04969	3.3
97.02872	5.4
98.97537	0.8
99.02649	1.9
99.04491	1.6
101.04221	60.6
101.43807	0.9
102.03830	0.9
107.94975	0.8
109.02858	1.6
110.06046	1.6
110.07179	0.9
112.07588	2.0
124.73379	0.7
127.02131	9.0
127.05751	3.4
129.03690	1.4
138.05461	1.0
140.07045	8.3
155.01610	1.4
158.99622	1.0
161.09116	0.9
170.06320	4.3
170.07828	0.9
171.01363	0.7
172.04240	100.0
180.04797	1.7
182.08113	3.7
197.07408	4.3
198.05814	4.9
214.05264	8.2
215.08501	5.2
237.02855	0.8
238.05348	0.9
244.06349	4.6
261.09012	8.3
267.02820	0.9
334.09506	1.8
377.13586	3.2
382.88028	1.0
423.14206	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.4
53.03936	2.6
55.01873	7.1
55.05508	39.3
57.03431	21.1
57.07063	2.8
59.05013	1.8
59.15086	1.7
67.05495	100.0
69.07059	28.1
71.04988	7.3
71.08614	15.0
77.74126	1.7
79.05481	34.5
81.03403	3.8
81.07041	75.1
83.04969	6.4
83.08601	34.1
85.06528	6.3
85.10183	2.6
91.05466	31.2
93.07029	50.9
95.04958	6.8
95.08591	33.6
97.06509	12.2
97.10162	9.7
99.08061	11.5
105.07017	16.0
107.04916	3.5
107.08586	30.2
109.06493	2.7
109.10152	56.1
111.08059	12.1
113.09653	3.1
117.07022	9.7
119.08580	14.6
121.10140	17.2
123.11666	3.2
125.09616	9.3
131.08554	11.4
133.10066	14.3
135.08011	2.7
135.11681	13.5
143.08549	1.7
145.10127	1.9
147.04352	1.8
147.11723	6.6
149.05849	2.0
149.13235	23.4
151.11191	9.8
159.11711	13.2
160.41487	1.6
161.13188	2.9
163.03917	2.8
165.12712	3.5
173.11722	18.3
177.12729	14.0
179.14230	2.9
189.11263	2.2
195.13782	2.5
223.05975	6.7
227.12845	2.0
229.14304	40.8
231.20952	1.7
245.13669	2.0
269.17435	93.6
277.21594	16.8
295.22803	2.1
351.25262	30.7
369.26263	23.3
423.23486	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81188	0.3
53.00284	0.4
55.05489	0.3
57.06817	0.4
57.07067	7.9
58.06585	2.0
65.03915	3.0
68.04993	0.6
70.06205	0.7
70.06572	16.6
71.08608	3.0
85.10148	0.5
88.07617	20.5
102.08504	0.6
102.09163	14.7
121.02826	0.9
139.03905	3.0
149.02327	100.0
149.03384	5.6
150.02591	0.6
163.35045	0.4
193.04935	92.3
256.26288	43.2
422.28940	68.5
422.33289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
55.82774	0.9
57.03424	1.0
57.07070	20.3
59.11922	0.9
61.23249	0.9
62.47662	0.9
64.35630	1.0
67.05495	9.6
69.07063	16.1
71.04987	7.4
71.08614	18.1
81.07037	2.3
83.08598	5.9
107.01344	1.0
108.15645	1.0
109.10149	75.5
113.13321	1.1
121.02866	2.0
127.11176	93.4
128.22876	0.9
135.30936	1.0
149.02330	100.0
167.03458	2.0
238.65645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	7.1
55.05503	24.1
57.03178	1.2
57.03429	19.9
57.07059	4.4
63.48753	0.8
65.03902	0.9
67.05489	61.7
69.03410	1.7
69.06714	1.4
69.07051	20.9
71.04974	4.7
71.08609	14.4
73.28745	0.8
79.05470	34.8
81.03385	2.1
81.07037	81.2
83.04973	10.4
83.08598	22.9
85.06528	4.4
85.10175	3.9
91.05459	28.0
93.07021	58.6
94.03645	1.0
95.04930	6.3
95.08582	27.6
95.77573	0.8
97.06508	14.3
97.10142	4.1
98.10847	1.1
99.08063	9.4
105.07013	15.0
107.04926	2.1
107.08575	31.8
107.28599	0.9
109.06474	2.2
109.10160	7.6
111.08066	13.2
113.09637	3.6
116.77543	0.9
117.07007	11.8
119.08548	11.1
121.06478	1.4
121.10104	18.7
123.08089	2.3
123.11699	6.1
125.09605	4.1
131.08542	10.1
133.10098	15.0
135.08052	1.6
135.11659	11.5
139.11195	1.6
143.08607	1.3
145.10118	1.6
147.08020	1.0
147.11688	6.3
149.09602	1.3
149.13234	27.7
151.11182	9.5
159.11632	17.7
161.13228	3.9
163.11160	3.7
165.12700	6.9
172.00647	0.9
173.11679	3.6
177.12718	14.4
179.14302	6.4
195.13760	8.2
227.12714	1.7
237.50414	1.0
251.16489	1.2
259.20538	1.8
269.17413	100.0
277.21552	15.2
295.22623	2.1
351.25220	24.7
369.26236	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	422.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03143	2.5
57.03427	72.6
57.07067	4.2
58.17662	1.6
59.86456	1.5
99.40012	1.5
127.11165	100.0
149.02367	19.8
159.84241	2.0
189.06653	1.9
231.14655	1.9
300.85724	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.71709	0.9
55.01859	1.9
55.05506	14.7
57.03431	14.0
57.07059	1.4
59.04967	1.5
60.59146	0.9
61.02904	5.8
67.05492	8.6
69.03414	14.7
69.07056	11.5
70.06577	1.5
70.61032	1.1
71.04984	7.9
72.08131	6.0
79.05473	9.8
81.03387	5.2
81.07044	14.7
83.04964	19.8
83.08612	4.3
85.02891	41.4
85.06528	2.3
87.04443	1.6
91.05447	8.2
92.09212	1.9
93.07021	24.2
95.04948	94.9
95.08594	22.0
97.02869	11.1
97.06512	26.1
97.10101	1.3
99.04405	9.1
99.08069	7.1
105.07011	23.4
107.04934	2.8
107.08579	43.9
109.02850	2.8
109.06500	33.8
109.10137	22.3
110.19685	1.2
111.08060	8.4
113.06029	1.5
117.06974	5.3
119.08560	31.9
121.06485	4.4
121.09263	1.7
121.10120	40.7
123.08025	26.2
123.11684	8.5
125.05925	1.7
125.09587	8.6
127.03884	5.3
127.07488	4.8
130.07764	1.6
131.08530	7.1
133.06416	1.9
133.10109	15.4
135.04364	1.3
135.08003	9.6
135.11671	23.3
137.05952	5.0
137.09593	36.1
137.13216	2.5
141.09050	2.0
143.08539	4.8
144.09351	1.9
145.04890	2.0
145.10112	35.0
147.08028	2.5
147.11687	21.7
149.09602	24.5
149.13222	1.6
151.07530	2.3
151.11188	8.8
153.09085	43.6
153.12680	8.5
156.09305	8.7
159.11681	9.3
161.13214	22.5
163.03867	4.8
163.11153	37.4
165.09091	1.6
165.12692	9.0
167.10693	2.5
169.08571	2.1
171.10123	8.9
171.11644	8.5
173.02325	1.4
174.10446	1.5
177.12714	6.3
179.14226	5.1
181.12186	9.9
189.12708	21.8
195.13777	18.7
207.13774	20.8
215.06987	7.7
225.14806	58.5
243.15866	100.0
259.09442	1.7
277.10898	1.4
316.15176	1.9
334.16409	2.4
422.26175	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	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.5
55.01871	1.5
55.05503	6.0
57.03429	7.7
57.07082	1.5
59.05005	2.0
61.02905	6.5
62.83192	1.1
67.05490	8.7
69.03427	10.7
69.07050	7.9
70.06567	2.2
71.04977	21.4
72.08149	2.9
73.02897	1.8
79.05468	10.3
81.03395	3.2
81.07042	43.7
83.04976	9.4
83.08604	1.3
85.02892	40.1
85.06527	3.1
91.05468	6.5
93.07037	17.2
95.04961	3.1
95.08586	25.0
97.02876	5.8
97.06521	8.7
99.04436	27.2
99.08070	7.3
105.07014	25.7
107.08577	29.5
109.02845	1.9
109.06506	17.8
109.10144	26.1
111.08036	1.5
117.07009	1.6
119.08561	30.1
121.06511	1.9
121.10117	71.5
123.08048	94.7
123.11689	7.2
125.06018	1.8
125.09637	4.5
127.03884	3.1
127.07583	3.0
128.20604	1.5
128.49318	1.5
132.81165	1.5
133.10115	8.5
135.08107	2.0
135.11684	8.2
137.05978	6.6
137.09589	35.6
137.13235	7.8
145.04915	1.9
145.10103	12.2
147.08076	1.6
147.11664	29.5
149.09599	63.1
151.07565	2.8
151.11168	4.6
153.09137	1.4
156.09422	1.8
159.11641	2.9
161.09637	1.8
161.13225	35.7
163.11142	50.3
165.01875	2.1
165.12758	9.1
167.10677	1.6
171.11641	1.9
173.83252	1.4
174.10426	1.5
179.14308	3.0
181.12180	18.9
183.02901	1.6
183.13843	2.2
189.12704	22.9
207.13785	35.8
215.07018	2.5
224.63562	1.4
225.14830	100.0
243.15851	37.7
243.18098	2.2
259.09689	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91512	1.2
52.78020	1.2
55.01869	2.6
55.05502	7.6
57.03431	12.0
57.07056	1.8
59.04990	3.3
61.02918	3.1
67.05490	9.4
69.03428	13.9
69.07047	10.5
71.04964	5.7
72.08190	1.4
73.02905	1.6
73.88670	1.4
74.78101	1.1
79.05466	7.1
79.80961	1.3
81.03408	6.4
81.07044	24.2
83.04979	9.6
83.08630	1.5
85.02888	34.8
85.06532	2.2
91.05459	9.9
93.07023	17.9
95.04955	9.4
95.08595	24.2
97.02873	9.5
97.06520	13.9
97.10130	1.3
99.04444	2.6
105.07024	24.6
107.08574	32.3
109.02879	2.5
109.06510	15.7
109.10145	31.2
111.04428	2.0
111.08089	6.1
113.05961	1.6
115.07563	2.1
119.04981	1.5
119.08561	30.9
121.06488	2.1
121.10122	49.6
121.81716	1.4
123.08052	45.0
123.11710	11.6
125.05981	1.8
125.09586	2.8
127.03888	5.7
131.08548	8.9
133.06483	2.7
133.10121	15.4
135.07965	5.0
135.11684	7.7
137.05986	2.6
137.09596	27.7
139.11105	9.9
143.08554	2.0
145.05037	2.2
145.10138	8.8
147.08032	8.3
147.11659	27.4
149.09605	50.4
151.07561	16.6
151.11180	16.8
153.09155	2.0
156.09335	6.4
159.11665	2.2
161.09634	3.4
161.13245	28.6
163.03937	3.1
163.11176	10.7
163.44429	1.5
165.12749	9.4
166.22792	1.3
167.10612	3.3
171.11668	9.4
174.10390	2.6
177.12730	2.6
177.24236	1.5
179.14296	5.8
181.12206	9.4
185.11742	1.9
189.12720	49.1
207.13774	63.2
215.06969	3.0
225.14821	100.0
243.15854	32.6
259.09744	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	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47860	0.2
53.03925	0.4
55.01869	0.4
55.05503	15.3
57.03438	0.5
61.02913	1.2
64.04338	0.2
65.03926	0.3
67.05499	1.5
69.03415	2.8
69.07059	0.4
71.04974	4.4
79.05485	0.6
81.03396	1.2
81.07027	1.3
83.04964	11.9
85.02886	6.8
87.04453	0.2
89.73313	0.3
91.05423	0.5
92.09460	0.3
93.07003	2.1
95.04946	100.0
95.08567	0.6
97.02874	1.5
97.06498	0.4
99.04428	10.3
99.05026	0.5
105.07011	1.5
107.08560	2.6
109.06512	0.6
109.10135	1.7
111.08075	0.6
112.88071	0.3
119.08549	1.9
121.10130	2.3
123.08044	1.2
123.11675	0.5
125.09599	2.5
125.52479	0.3
127.03918	1.2
127.11099	0.5
131.08566	0.6
133.10115	0.5
135.08015	0.7
137.05975	1.1
137.09618	1.9
143.10591	0.5
145.10123	1.7
147.08014	0.5
147.11670	1.3
149.09602	7.7
153.09082	25.2
161.13219	0.6
163.07481	0.4
163.11215	0.4
165.09097	0.3
165.12746	0.4
174.25551	0.3
175.07492	0.3
181.88850	0.4
189.09038	0.3
189.12732	1.1
207.10101	0.5
207.13728	5.2
225.11198	1.3
225.14815	36.7
243.15900	1.2
273.10205	0.3
387.20096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.2
55.01849	0.3
55.73133	0.2
79.05469	1.5
80.91705	0.2
81.07024	1.0
87.44043	0.2
91.05469	2.3
94.04158	2.5
95.04958	0.3
96.94183	0.2
103.05447	8.7
105.07014	4.5
107.04957	1.7
109.06476	1.1
111.21272	0.2
115.05409	0.4
117.07007	1.7
119.04893	0.5
121.06489	2.2
122.03624	7.8
123.08025	0.4
128.06203	1.1
129.06975	0.8
131.04898	9.8
133.05447	0.3
133.06462	13.4
135.08031	5.9
137.05954	100.0
143.04881	0.3
143.08530	1.7
145.06467	4.0
147.04282	0.2
147.08014	1.1
149.05952	0.5
151.07520	4.6
157.06432	1.4
158.07306	0.2
159.08087	0.2
160.05255	0.3
161.05899	0.3
162.06647	0.4
163.07504	18.5
171.08012	1.5
174.06741	0.9
175.07506	2.4
177.09099	0.9
184.07210	0.3
187.07506	0.4
188.08278	1.2
189.08960	1.5
202.07603	0.3
203.10667	2.5
214.75896	0.2
215.07144	0.2
220.08772	0.4
235.11172	1.2
245.09531	0.8
263.10550	0.7
295.13196	5.9
327.15836	7.3
405.25604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	20.4
55.05501	9.8
57.03424	4.5
57.07078	2.1
67.05492	37.8
69.03411	9.3
69.07057	12.5
71.01332	5.9
71.04978	4.5
72.08149	2.6
73.02904	3.6
77.07732	2.2
79.05473	30.0
81.03409	19.5
81.07034	39.6
83.04958	5.0
83.08602	9.8
84.84353	2.4
85.02895	15.3
85.06520	9.5
91.05455	43.1
93.07019	24.8
95.01323	16.0
95.04950	23.7
95.08561	28.4
97.02884	11.6
97.06528	10.1
97.10182	2.6
101.02365	3.1
101.06017	2.7
103.05443	3.0
105.07025	32.8
107.04925	20.4
107.08564	18.4
109.02882	12.4
109.06541	8.5
109.10135	25.4
111.04412	2.6
111.08075	2.7
113.02317	2.7
113.06010	4.1
117.07011	19.2
119.04942	13.1
119.08563	26.2
121.02824	13.5
121.06464	16.9
121.10130	10.5
123.04427	19.0
123.08044	3.8
125.02296	3.8
125.05950	4.0
125.09557	3.8
129.05482	4.4
129.06973	5.6
131.04909	31.2
131.08568	23.7
133.06477	15.6
133.10107	19.7
135.04355	16.4
135.08063	5.6
135.11655	5.0
137.05940	34.9
139.03886	9.9
141.01807	3.4
141.07007	3.6
143.08560	10.2
145.06488	11.0
145.10089	3.9
147.04402	30.1
147.08002	3.7
147.11610	19.6
149.06020	10.1
149.09683	3.3
151.03871	15.8
151.07483	2.9
155.08591	5.0
157.06551	2.6
157.10103	12.0
159.04362	4.9
159.08047	15.3
159.11662	5.1
161.05974	12.8
161.09618	3.1
161.13222	4.5
163.03912	21.0
165.01796	4.0
165.05444	3.2
169.04980	2.5
169.10124	10.4
171.11696	5.5
173.05908	11.2
173.09560	4.8
173.11745	16.9
173.13110	2.9
175.03905	22.9
175.07558	4.5
175.11221	9.7
177.05478	9.8
177.09096	3.6
177.12762	4.7
179.03395	5.6
181.05038	3.3
181.06476	19.9
183.07948	3.3
185.06009	2.8
187.03931	3.6
187.11186	8.9
189.05508	4.2
189.09196	3.1
189.16446	10.9
191.03375	4.4
193.12141	4.2
197.09639	5.7
197.15416	5.1
199.11172	4.2
203.03247	2.5
205.12216	3.0
207.13753	10.8
207.17432	4.1
211.13313	8.8
213.12791	3.7
215.10689	9.9
217.05038	4.3
217.08640	2.8
217.12210	8.9
223.11211	2.7
225.09128	3.9
225.14876	4.8
225.18419	4.1
227.10640	5.1
231.10208	2.7
233.11707	5.6
235.13330	2.7
237.09019	2.3
241.12143	11.7
243.10187	12.1
243.15909	9.2
245.11655	4.4
250.73943	2.6
251.10509	3.6
251.12798	9.0
255.10126	15.7
257.11841	3.4
259.13455	5.4
261.11240	14.0
269.11694	14.8
271.13297	4.6
275.66385	2.4
279.12289	4.6
283.13223	4.0
287.12714	43.3
289.14334	12.9
297.10635	3.5
297.13358	11.6
301.14288	3.9
305.13748	23.9
307.12195	2.6
307.15433	14.8
315.12033	24.5
319.64841	2.3
323.14929	10.0
333.13278	100.0
341.15671	3.1
351.14328	95.5
369.15363	55.5
375.18005	9.8
387.16461	14.8
405.09677	2.7
422.25348	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	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
55.01865	4.5
55.05508	30.0
57.03432	3.2
57.07066	3.3
60.96672	2.2
61.90794	2.1
67.05494	64.0
69.03401	2.5
69.07064	24.5
71.08612	38.1
71.49618	2.2
79.05483	73.7
81.03390	4.5
81.07042	94.9
83.04958	11.1
83.08610	11.5
85.06541	3.2
86.91534	2.4
90.02652	2.2
91.05467	41.1
93.07026	99.6
95.04949	13.5
95.08583	58.4
97.06504	11.0
99.08094	15.7
105.07028	40.0
107.04938	12.0
107.08575	46.3
109.06473	7.8
109.10145	15.6
117.07061	2.2
119.08566	23.5
121.10142	32.3
122.83328	2.3
125.92442	2.8
131.08577	6.1
133.10094	17.3
135.11658	29.5
141.09131	2.5
145.10143	4.6
147.11595	3.0
149.13245	14.3
151.11171	16.2
159.11688	3.6
161.13312	11.5
163.11229	3.0
167.10625	3.2
179.14291	100.0
220.83476	3.1
221.15337	2.8
259.20670	3.1
277.21591	62.9
322.73071	2.5
421.21643	33.3
421.32477	3.8
442.23138	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	421.3672
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.00316	1.0
55.05506	28.7
57.03426	1.8
57.07068	9.3
67.05492	5.2
68.52157	1.1
69.03418	1.4
69.06717	1.9
69.07061	40.4
69.91033	1.0
70.04980	1.4
71.08607	2.4
80.34602	1.1
81.07047	12.8
83.01331	17.9
83.08624	20.0
85.09348	1.1
91.05466	2.1
93.07037	6.4
95.08593	15.8
97.06504	7.7
97.10139	13.3
99.08089	1.4
105.07014	1.6
107.04988	1.4
107.08595	6.4
109.06516	3.0
109.10146	11.4
111.08076	8.1
117.60603	1.5
121.06478	2.1
121.10133	7.4
123.08046	5.8
123.11719	3.1
125.05988	8.5
125.09633	11.0
127.07557	5.6
135.07991	1.5
135.11691	1.6
137.09570	3.2
139.07530	39.1
139.11151	3.3
151.11194	7.2
151.14867	1.5
153.09084	9.6
153.12682	2.4
159.11699	1.7
163.11319	1.6
167.10652	10.3
173.13268	1.5
181.12183	15.5
193.12250	1.7
195.13741	16.5
207.13840	5.3
209.15401	6.8
219.17511	1.6
223.16896	6.0
237.18440	4.7
251.20198	2.5
265.21564	6.7
277.21655	1.3
279.23102	1.9
293.24771	2.2
321.27802	2.0
343.28677	1.6
372.49985	1.6
385.34967	1.8
403.35678	24.6
421.36743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.36659	0.7
55.01859	3.0
56.05037	0.7
57.03424	3.0
58.99344	0.7
58.99581	11.8
60.63136	0.6
66.47175	0.7
67.05492	1.4
69.03431	0.7
69.07059	6.0
74.00639	3.3
76.02211	87.7
76.03987	6.1
77.78298	0.7
79.05476	10.0
80.04990	0.8
84.04495	37.6
85.02913	1.0
85.04015	4.6
86.99039	5.8
88.02193	1.5
92.01712	1.0
93.07005	1.0
95.04933	0.9
97.06514	100.0
98.05984	0.8
99.04408	0.9
105.07083	0.8
107.04936	0.8
108.33219	0.8
112.03984	0.9
113.03459	1.2
114.03708	1.7
116.00889	1.1
116.01663	25.4
117.77039	0.7
119.08575	1.0
120.08058	0.8
121.08875	0.9
125.07022	0.7
127.05700	1.4
128.05278	0.7
129.03712	0.7
129.06558	0.9
130.04984	21.6
131.04520	3.4
135.08083	0.7
137.05962	1.8
138.05455	1.0
141.04688	0.7
142.03194	9.8
143.08473	0.7
144.01132	13.4
145.06139	1.1
145.65930	0.7
154.06831	8.1
162.02177	35.7
170.02649	2.9
171.24744	0.9
172.07893	1.4
177.03270	10.1
179.04826	43.2
185.03722	1.4
187.05379	2.5
199.05527	0.8
207.10159	1.6
215.04758	1.3
222.88568	0.8
231.04181	1.2
233.05817	12.9
245.05827	3.5
257.09500	5.0
275.10577	1.7
306.07434	0.8
308.09058	35.7
404.15079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1336
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.12054	0.1
53.03928	0.1
57.03423	1.5
57.36414	0.1
59.05007	0.2
61.02891	0.3
69.03413	4.1
72.50622	0.1
73.02872	0.2
75.04430	0.2
81.03403	0.5
82.85468	0.2
85.02423	0.2
85.02889	4.4
87.04443	1.8
89.07096	0.1
97.02865	2.9
109.02845	0.3
115.03899	1.2
125.07043	0.3
127.03888	100.0
128.04248	0.2
133.04950	0.6
145.04955	0.2
201.70293	0.1
241.15565	0.2
259.16449	0.6
289.09113	3.3
421.21509	0.3
423.64258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03941	0.7
54.33533	0.5
55.01872	1.2
55.05507	9.8
56.41300	0.5
57.03431	65.5
57.07054	0.6
58.33080	0.6
61.02911	3.4
63.57343	0.5
67.05493	15.9
69.03408	2.7
69.07045	5.0
70.06561	0.6
71.01340	8.3
71.04971	1.4
73.02893	1.0
79.05478	43.7
81.03395	6.1
81.07045	9.6
82.07387	0.6
83.04964	6.9
83.08609	18.3
85.02892	5.3
91.05455	7.6
93.07024	58.5
95.04939	3.3
95.08579	11.8
97.02865	1.2
97.06521	3.3
97.10152	0.7
105.07023	6.9
107.04945	2.3
107.08564	8.0
107.83958	0.6
109.02896	0.7
109.10127	2.1
111.08064	0.7
119.08575	3.0
121.06501	0.7
121.10124	51.1
123.08034	1.1
127.03905	1.0
128.09799	0.5
131.08533	6.9
131.76237	0.6
137.05946	2.6
137.08197	0.5
139.03879	4.9
139.11172	14.6
145.10104	2.6
147.04364	0.8
147.11676	4.1
149.09605	5.9
164.07101	0.7
167.10634	10.3
185.11728	1.0
200.98540	0.5
237.06575	0.7
241.14297	100.0
259.09711	1.3
307.07101	0.7
311.06509	1.0
328.80185	0.7
348.88168	0.6
353.07703	0.9
371.08585	0.6
373.55191	0.6
403.11325	1.0
403.19290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0915
Annotation	4'-Demethylknipholone
Peak:m/z	Relative Intensity
56.44719	0.6
56.96563	0.6
60.51548	0.6
67.05488	0.9
69.03405	0.7
77.78168	0.6
79.05492	1.2
81.07048	2.7
91.05477	0.9
92.08703	0.9
99.12811	0.6
105.07047	0.8
107.08578	0.8
108.02067	1.4
111.94188	0.6
114.20277	0.7
119.04925	7.0
121.02894	5.4
121.10133	0.6
136.01543	0.9
137.02327	0.8
138.03081	0.8
139.00224	1.3
145.02835	1.3
153.01813	5.8
154.02609	4.0
155.03360	0.9
171.02852	0.9
184.03639	1.3
200.89883	0.7
226.06297	1.2
227.07005	0.9
229.04956	2.6
241.04898	3.5
254.05724	13.0
255.06488	28.9
257.04343	14.4
271.05954	6.0
282.05191	5.3
283.05994	11.9
284.06735	22.4
285.03918	4.0
286.04782	1.5
299.05457	3.8
303.06760	0.8
336.50833	0.7
345.07623	1.1
361.07114	0.9
377.10190	14.7
389.06531	0.9
403.07947	5.7
405.06155	0.9
412.04236	0.7
421.09113	100.0
422.09634	1.3
431.66718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03626	1.4
53.03940	3.4
55.01853	7.4
55.05506	27.4
56.76847	1.3
57.03225	1.5
57.03432	22.9
57.07054	1.3
58.26235	1.3
59.04979	2.8
59.90621	1.2
67.05495	87.8
69.03413	2.4
69.07057	28.9
71.04975	7.7
71.45313	1.4
79.05059	2.5
79.05481	51.7
81.03391	2.2
81.07039	100.0
83.04971	11.1
83.08605	21.4
85.06509	2.5
91.05465	35.9
93.07024	59.6
95.04939	8.8
95.08586	37.4
97.06528	13.1
97.10142	7.2
99.08055	1.7
101.71899	1.6
105.07012	26.9
106.62400	1.5
107.04937	3.2
107.08588	33.5
109.06518	8.1
109.10146	35.0
111.08066	6.1
117.07008	16.0
119.08569	26.0
121.06459	3.5
121.10120	16.4
121.35551	1.5
123.08035	7.4
125.09573	8.2
128.54875	1.5
129.06937	1.9
131.08559	16.7
133.10124	23.3
135.08040	3.3
135.11662	10.4
137.09607	3.5
145.10135	12.1
147.11670	12.0
149.09587	8.2
149.13255	17.0
151.11156	1.8
155.10582	2.0
157.10138	2.8
159.11667	16.1
161.13258	3.2
163.11150	3.8
173.11716	11.3
173.13159	3.6
175.11247	2.1
177.12738	9.2
179.14145	2.1
195.13799	3.3
229.14305	30.8
232.43716	1.7
239.17876	2.6
251.16411	2.2
257.18970	7.1
269.14557	3.0
269.17429	70.7
271.46014	1.8
275.20001	26.2
286.22388	1.6
309.20615	2.5
349.19901	2.0
349.23694	39.5
367.24771	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	420.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40151	1.7
53.03923	2.5
54.26020	1.7
55.01865	21.0
55.05503	87.7
57.03439	19.5
57.07063	3.7
65.03906	2.4
67.05494	61.7
69.03407	12.1
69.07053	27.3
70.84636	1.9
71.04958	3.5
71.08625	23.3
77.40350	1.7
79.05054	3.4
79.05475	57.3
81.03400	25.8
81.07041	69.7
83.04963	25.2
83.08603	48.4
85.02879	2.1
85.06522	3.2
91.05462	25.0
93.07024	42.8
95.04946	61.7
95.08587	26.5
97.06498	9.5
97.10154	57.0
99.04425	2.5
99.08068	19.1
105.07025	23.6
107.04933	19.5
107.08587	44.4
109.06488	10.5
109.10162	15.5
111.04430	21.1
111.08105	14.2
117.06980	18.0
119.08587	14.0
121.06453	10.5
121.10097	17.0
123.08030	3.4
125.09622	43.5
129.07010	4.0
131.08556	15.5
133.10123	13.8
135.08032	11.6
135.11711	16.6
143.08528	2.7
145.06483	4.7
145.10132	20.7
147.08026	2.4
147.11653	9.2
149.05923	1.8
149.09566	18.3
149.13225	3.2
151.11131	4.6
153.09087	14.2
153.12692	3.4
155.08572	3.2
157.10172	2.2
159.11703	3.7
161.09601	2.7
163.11154	41.6
165.12723	4.5
167.10713	3.4
173.09464	2.5
173.57068	1.8
175.11188	4.5
177.12688	8.9
181.12172	4.4
189.11176	23.1
191.10556	3.1
195.13757	13.7
223.13226	4.8
227.12767	15.1
245.13968	2.1
257.19089	2.2
266.00677	1.8
275.20035	35.1
289.47153	2.1
293.21048	100.0
294.21265	2.1
311.22015	3.1
349.23752	2.6
367.24725	57.2
385.25772	87.5
420.31744	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01864	8.5
55.05502	1.7
57.03434	2.7
57.07052	1.7
61.02930	1.9
67.05489	5.6
69.03418	11.2
69.07056	2.2
70.06570	1.4
71.04988	1.7
72.08139	2.1
73.02904	6.7
79.05482	2.6
81.03419	3.3
81.07042	22.4
83.01330	11.6
83.04967	2.3
84.04496	2.0
85.02890	29.8
91.05456	9.0
91.76329	1.3
93.07027	9.6
95.04954	2.4
95.08602	7.3
97.02256	1.4
97.02871	8.2
99.04463	2.0
101.02361	100.0
105.07019	15.4
107.04943	5.5
107.08570	13.3
109.02866	1.9
109.06526	5.4
109.10146	16.0
111.54261	1.3
117.07026	8.7
119.08572	12.1
121.06485	8.0
121.10128	20.5
123.08032	2.6
123.10785	3.1
123.11684	93.4
127.03874	3.3
129.06950	2.1
131.04926	1.8
131.08572	10.2
133.06497	3.4
133.10159	1.5
135.07990	10.1
137.05952	20.0
139.07523	1.7
141.05460	7.3
144.09309	2.3
145.06468	5.8
145.10133	6.8
147.08066	5.4
147.11736	7.3
149.05928	3.1
149.09602	19.4
157.10117	2.0
159.11612	12.8
163.07494	10.5
163.11188	2.6
167.07057	2.9
175.11182	8.7
177.09100	2.2
177.12674	10.7
179.10667	2.9
187.11177	9.3
196.87448	1.5
197.04765	1.5
205.12236	24.2
223.13252	82.7
241.14294	29.8
281.00500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39989	1.5
55.01879	1.9
55.05500	3.9
56.33929	1.3
67.05482	4.1
68.65197	1.7
79.05489	8.1
81.07037	11.1
83.08580	1.9
91.05453	18.1
93.07017	6.6
93.10659	1.7
95.04970	3.9
95.08589	1.8
97.06511	1.7
97.10125	2.1
98.20333	1.5
105.07019	6.8
107.04935	13.0
107.08553	2.4
109.06483	3.4
117.07007	3.0
119.04917	10.8
121.10147	2.2
122.03640	3.3
129.06970	14.7
135.08130	2.5
135.11673	1.9
135.99394	1.8
136.05171	2.2
137.05952	100.0
149.09576	2.0
151.03894	4.2
151.07520	46.3
157.06470	20.3
159.11678	1.7
161.05988	14.8
161.09589	2.6
163.07515	8.0
163.11208	2.6
165.06984	9.1
174.06760	7.2
175.07524	3.6
178.07767	2.6
189.09052	36.2
193.06517	8.5
193.10072	12.3
197.09599	2.2
203.08554	3.1
210.06740	7.1
221.05963	18.4
221.09515	21.9
224.08261	7.1
225.09067	12.2
235.07455	3.0
237.09122	2.1
239.07053	2.1
249.09026	9.0
249.11305	3.1
252.07837	6.3
253.08438	15.7
253.12201	31.2
255.06697	2.5
257.12927	1.9
258.13611	2.9
259.14310	3.5
267.10040	13.7
269.08090	3.3
272.10388	3.2
275.19949	2.6
281.11642	10.3
284.10562	2.2
285.11163	31.7
293.21048	8.9
313.14307	31.4
367.24588	8.8
373.16434	66.0
421.12488	3.7
421.21539	2.4
431.93536	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91819	1.1
56.96551	6.5
67.12579	1.1
69.03395	1.6
71.04961	1.3
73.10761	1.0
76.56719	1.3
81.03403	1.8
82.91280	1.1
83.97609	1.5
84.04489	2.9
84.08106	1.4
85.02898	2.2
88.84937	1.4
91.05461	2.0
92.09261	2.0
97.02868	2.1
98.97553	15.3
107.04931	2.9
110.97562	2.3
114.03721	7.0
116.98573	11.2
126.62262	1.8
127.02126	4.6
128.98598	6.3
131.08563	1.7
134.99641	1.8
143.00130	6.7
146.01216	1.7
146.99649	2.8
152.98567	6.4
158.99641	6.7
159.07950	1.9
161.01195	5.7
162.99132	1.5
164.02275	5.2
170.06320	6.9
170.99635	9.1
177.00668	5.7
177.09094	2.3
182.03404	1.6
189.00690	5.2
189.04317	1.6
201.00734	2.1
201.04289	1.7
219.01735	31.0
237.02739	53.2
241.10612	1.4
255.03886	5.7
258.06421	2.9
259.94037	1.4
273.08948	2.9
276.07462	2.5
303.07303	15.2
321.08502	48.0
327.68213	1.3
331.20218	1.4
378.10474	1.6
387.03348	1.4
392.12143	6.8
420.11874	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	419.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27473	0.2
55.05505	0.4
57.07029	0.2
57.40403	0.2
65.03928	0.3
69.07045	0.4
79.05465	0.2
79.54994	0.2
81.07021	0.4
91.04890	0.5
91.05465	11.3
100.47932	0.2
104.57877	0.2
108.98257	0.2
119.04924	36.7
129.51762	0.2
141.56679	0.2
147.04396	100.0
148.04695	0.9
165.05482	0.2
225.67215	0.2
348.36746	0.3
356.36563	0.2
398.70007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2789
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
50.86930	0.2
54.81598	0.2
55.05497	0.3
57.07068	0.2
60.37822	0.2
65.03921	0.5
69.07098	0.2
70.49759	0.2
77.80090	0.2
91.05467	14.1
93.20703	0.2
119.04025	0.6
119.04924	41.9
147.04395	100.0
148.04730	0.3
148.15671	0.2
165.05423	0.3
234.60834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00333	2.3
53.03929	2.5
55.05494	12.7
57.07058	4.0
67.05484	16.0
69.07051	17.0
71.04982	5.4
79.05478	27.2
81.07030	34.5
83.08604	4.5
88.89536	2.8
91.05455	47.0
93.07030	42.7
95.04945	11.4
95.08566	20.6
98.86957	3.5
98.98471	5.3
103.05459	4.4
105.07008	90.1
106.07382	3.0
107.08590	34.9
109.06508	100.0
109.10124	17.5
111.08074	3.4
117.07002	26.8
119.04959	2.8
119.08562	74.2
121.10132	20.5
123.08076	3.7
128.06206	16.6
129.06970	18.9
130.07767	11.8
131.08537	49.7
133.09178	4.6
133.10100	50.5
133.11029	4.5
135.08051	11.7
135.11644	11.6
137.09579	13.2
141.06979	3.7
142.07788	22.6
143.08531	39.3
144.09282	6.4
145.10103	64.4
147.04427	4.6
147.08063	5.4
147.11719	11.3
153.06882	3.1
155.08539	16.3
156.09332	15.7
157.10097	36.2
158.10783	6.1
159.07922	3.1
159.11691	27.9
161.09630	4.2
165.06976	5.0
167.08501	11.8
168.09296	10.5
169.10124	21.6
170.10892	4.3
171.11656	18.9
173.13190	21.1
179.08482	11.0
179.32823	2.8
180.09274	6.7
181.10054	11.8
182.10933	3.4
183.11636	15.1
185.13210	5.2
187.14853	12.9
191.14195	2.5
191.51434	3.0
193.10094	13.3
194.10849	6.1
195.11668	15.2
197.13235	4.6
199.14755	5.6
201.16261	3.7
204.12326	2.9
206.10800	4.3
207.11685	5.9
209.13286	13.2
211.14810	4.6
216.37979	3.0
221.13275	11.1
222.13875	4.9
340.42276	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	419.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95628	0.2
55.05493	0.5
61.21698	0.2
63.14323	0.2
64.32955	0.3
65.03922	0.4
67.05487	0.6
69.07053	1.3
70.06581	0.3
79.05462	0.4
79.23663	0.3
87.19769	0.3
91.05463	12.5
93.07005	0.4
95.08575	0.4
100.77297	0.3
119.04920	36.2
119.08565	0.3
121.10123	0.3
147.04388	100.0
148.04813	0.4
165.05397	0.4
171.51083	0.3
172.30409	0.3
181.52094	0.3
185.88948	0.3
354.62436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
54.32805	0.3
55.01859	1.0
57.03425	6.4
61.02916	1.6
61.39587	0.4
67.05498	0.5
69.03420	0.9
69.82611	0.4
75.04452	0.9
79.05469	2.7
81.03404	1.0
81.07034	0.5
85.02884	2.7
87.04393	0.4
91.05455	2.8
92.08704	1.0
94.04150	0.6
95.04918	0.6
97.02858	1.0
98.97547	0.7
103.05447	0.8
105.07012	29.7
105.73277	0.4
107.04935	2.5
109.02856	0.6
109.06525	0.5
109.10138	0.5
119.08575	2.4
122.03615	2.7
131.04883	0.5
133.06465	44.4
135.04364	0.6
135.08043	0.5
137.05952	100.0
137.66994	0.4
140.07053	0.5
147.07999	0.7
150.06808	0.8
151.07500	0.7
152.07106	0.4
158.99554	0.5
162.35518	0.4
163.07516	4.1
165.09079	22.5
175.07542	3.6
177.09122	1.6
181.08620	1.7
182.03780	0.4
183.10120	9.4
184.19182	0.4
188.54909	0.8
203.10745	1.7
203.54718	0.4
221.11737	1.6
239.12740	1.9
257.13779	18.3
257.16409	0.9
321.09705	1.7
399.99896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
54.56670	0.3
55.01856	1.8
55.05485	0.3
56.96545	0.6
57.03430	5.9
61.02912	0.5
64.32838	0.3
69.03413	2.0
70.06564	0.8
70.51355	0.3
71.04971	0.6
72.08147	0.5
73.02878	0.3
75.04480	2.9
79.05468	2.5
81.03409	0.7
84.75568	0.4
85.02897	4.4
86.09686	0.6
90.01202	0.3
91.05462	2.2
93.07015	0.4
95.08578	0.4
97.02863	1.9
98.97591	0.9
103.05451	2.0
105.07016	30.1
107.04955	2.3
109.06499	0.9
116.98608	0.6
117.06997	1.5
119.04915	0.5
119.08543	0.4
121.06501	0.5
122.03611	2.6
124.05229	0.5
127.03905	0.4
128.06168	0.5
128.98573	0.5
131.04924	1.4
133.06473	47.8
134.99667	0.5
135.04385	0.5
135.08037	1.7
137.05959	100.0
145.04898	0.5
145.06432	0.5
147.04405	0.6
147.08043	0.5
151.07559	1.8
161.05949	0.8
162.06627	0.9
163.07501	5.6
165.09084	23.1
171.08179	0.4
175.07523	4.7
175.11121	0.8
177.09079	30.3
181.08588	1.7
182.09337	0.8
183.10127	9.9
187.07663	0.4
193.08521	0.6
203.10660	1.7
215.42197	0.4
221.08138	0.4
221.11658	3.9
229.07271	4.1
229.57243	0.5
238.08008	0.7
239.12720	2.0
245.01465	0.4
257.13797	19.3
310.09952	2.6
310.60071	0.7
340.07843	0.4
357.15222	0.4
359.13089	0.4
419.14883	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	419.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.9
55.05499	2.6
56.06390	1.5
57.07050	1.5
58.75063	1.8
61.02893	2.0
62.68145	1.5
67.05489	3.5
69.03421	3.6
69.07030	2.1
70.06577	4.2
71.04948	2.6
72.08137	5.0
76.02199	2.0
79.05486	2.2
81.03430	2.6
84.04520	2.8
84.08097	1.9
85.02892	15.2
86.09686	4.4
91.05437	4.3
93.07026	7.9
95.04929	2.9
95.08625	2.7
97.02852	3.0
98.97557	2.4
105.07005	10.1
107.04940	2.7
107.08574	4.8
109.06558	2.5
109.10178	4.1
116.07047	2.0
117.06976	2.0
119.08567	16.5
121.10120	4.6
123.08107	3.1
131.08505	3.8
133.10077	2.6
135.08043	2.7
137.05954	11.1
137.09602	2.9
145.02837	2.2
147.08038	12.5
147.11668	8.6
149.05956	2.3
157.07626	3.4
161.08342	2.9
164.10693	78.5
165.09093	10.2
174.13547	1.9
175.07388	2.4
176.10635	14.0
177.05443	2.4
177.09094	12.0
178.09435	2.1
181.12190	4.8
192.10179	74.4
193.08630	7.0
194.08943	3.5
204.10175	40.5
210.11223	100.0
221.15182	2.4
222.11176	13.9
239.16360	4.2
240.12282	79.1
249.09154	2.0
250.08334	1.9
257.17456	2.9
288.39435	2.2
302.14899	2.9
305.95419	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	418.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.6
55.05505	41.9
57.03428	23.1
67.05494	90.4
69.07052	100.0
71.59428	3.8
79.05476	68.5
81.03403	9.4
81.07042	73.5
83.04946	5.8
83.08608	21.4
91.05468	58.1
92.09313	5.3
93.07030	47.2
95.04939	17.8
95.08601	55.2
97.06496	17.0
97.10159	6.9
105.06996	51.4
107.04916	18.7
107.08583	27.6
109.10142	46.1
117.06998	21.8
119.08573	32.5
121.10156	9.4
123.08098	5.1
123.11686	6.1
131.08534	22.4
133.10115	27.9
135.11646	4.8
145.10124	18.1
147.11649	6.4
149.09602	22.8
159.11668	8.7
161.13187	7.7
163.11186	7.1
173.11760	4.6
257.18970	5.5
275.20026	28.1
349.23499	45.3
369.26144	5.8
444.94333	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	418.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01871	18.4
55.05508	56.8
57.03437	17.7
57.07055	1.1
59.04998	2.1
65.03924	1.6
67.05143	2.0
67.05496	56.2
69.03411	6.8
69.07059	28.9
71.04971	2.7
79.05480	53.5
79.05950	2.0
81.03407	21.8
81.07041	100.0
83.04966	26.6
83.08608	34.1
85.02889	5.5
85.06507	1.5
91.04956	2.2
91.05467	37.9
92.09356	2.3
93.07031	41.8
95.04942	25.9
95.08593	27.3
97.06528	13.1
97.10155	49.9
99.04452	2.0
99.08109	1.8
103.01147	1.1
103.96986	1.1
105.07015	30.8
107.04949	11.3
107.08585	33.8
109.06509	9.3
109.10148	18.8
111.04440	22.2
111.08057	12.7
115.05402	1.5
117.06992	17.4
119.04883	1.7
119.08563	28.0
121.06501	11.3
121.10141	15.2
123.08051	37.1
123.11684	2.4
125.05968	1.4
125.09613	37.1
128.06133	1.3
129.06969	10.0
131.08542	16.7
133.06497	5.7
133.10100	12.7
135.04402	1.3
135.08018	9.8
135.11671	15.5
137.05997	1.9
137.09608	9.9
139.11191	1.4
139.24097	1.2
143.08571	7.2
144.74704	1.3
145.06490	1.9
145.10101	17.4
147.08046	12.3
147.11691	7.2
149.09554	9.6
153.09076	5.4
153.12750	8.8
155.08478	1.8
156.56444	1.3
157.10081	8.1
159.08011	1.8
159.11674	6.1
161.09578	5.2
163.11168	22.7
165.09096	6.1
169.10010	1.7
171.10146	2.4
171.11597	1.9
173.09552	2.9
175.11134	8.3
177.12851	1.3
181.12254	9.1
185.13217	1.6
189.11215	21.2
191.10629	6.8
193.12236	8.3
223.13246	2.8
227.12740	12.5
227.17929	1.7
245.13649	2.1
249.14850	1.7
255.17256	1.7
270.74249	1.4
273.18442	30.0
291.19495	62.6
301.16556	1.4
309.20532	2.4
347.22147	1.9
365.23141	40.7
383.24252	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01855	5.6
55.05494	1.2
57.03418	3.4
57.07069	0.9
59.04982	1.3
59.36594	0.6
61.02900	1.1
64.44006	0.7
67.05481	3.1
69.03418	5.4
69.07061	1.1
70.06595	0.7
71.04958	3.4
71.81376	0.7
72.08118	1.5
73.02911	0.9
79.05478	5.8
81.03390	5.1
81.07047	7.2
83.01311	4.6
83.04969	12.7
85.02886	18.2
86.09672	0.9
91.05462	9.5
93.07009	8.8
95.04344	1.4
95.04939	28.1
95.08559	3.5
97.02855	5.2
97.06510	4.8
99.04469	0.8
101.05991	0.8
103.05464	1.1
103.06192	0.8
105.07001	12.1
107.04907	7.9
107.08567	6.3
109.02843	5.2
109.06502	16.1
109.10117	1.7
110.07250	0.9
111.04473	1.1
111.08042	1.9
113.05940	0.8
113.46005	0.7
117.07010	3.1
119.04918	5.9
119.08528	8.3
121.06480	8.7
121.10098	5.9
123.04381	12.2
123.07146	1.6
123.08040	34.8
123.11662	1.8
125.05977	1.0
127.07414	0.8
131.08516	4.0
133.06429	1.9
133.10086	12.7
135.08014	12.6
137.05948	19.1
137.09605	7.5
139.07530	5.5
139.11110	0.9
142.07719	1.8
143.08569	1.9
145.06416	1.5
145.10068	3.2
146.07225	1.4
147.04376	5.0
147.08075	1.6
147.11642	6.5
149.09605	6.9
151.07515	1.7
151.11179	3.3
157.10083	3.6
159.08015	0.9
160.08752	1.6
161.05931	6.9
161.09573	17.7
163.07552	6.0
163.11192	1.4
164.73358	0.8
165.05431	66.5
165.09070	1.7
167.10619	4.3
173.09602	5.0
175.07555	1.5
175.11172	10.3
177.05432	0.9
177.09094	3.2
178.09860	1.5
179.10599	14.5
185.09595	3.2
191.07133	1.0
191.10626	21.5
193.12151	3.6
199.65106	0.8
203.06995	3.1
203.10638	6.1
209.11707	8.3
221.11679	100.0
223.33224	0.9
239.12672	7.4
256.19318	0.8
355.54562	0.7
384.03125	0.7
418.17789	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	418.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81520	1.3
60.19761	1.2
67.05499	1.4
79.05477	1.8
83.12409	1.3
85.02907	1.8
95.04944	1.5
100.79611	1.3
102.70823	1.6
107.08591	1.2
131.04909	2.4
133.06453	1.9
135.04395	60.6
137.06024	2.7
138.25949	1.3
145.28207	1.5
161.05977	2.6
170.05960	2.5
171.06815	3.0
177.03647	1.6
178.03232	8.4
179.04025	1.6
179.54745	1.4
186.09132	2.8
188.01657	2.0
190.03209	2.4
191.03981	25.4
192.04782	3.1
192.97185	1.4
196.07512	1.5
197.08325	11.2
202.03194	9.6
202.06900	4.9
204.04752	25.9
205.05547	5.2
207.03468	1.8
215.09386	5.2
216.04724	1.7
220.04204	10.8
223.06625	7.6
230.06308	2.1
235.06566	30.7
235.08762	1.7
248.07321	45.3
266.08536	8.5
311.63324	1.3
326.44937	1.6
383.11588	10.8
401.07535	1.9
401.12845	80.9
418.13129	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	418.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01868	2.4
57.03436	2.4
57.66150	1.8
59.36644	1.8
61.02914	4.6
68.03629	1.6
69.03413	67.1
72.08146	2.7
81.03403	3.9
81.33731	1.8
85.02884	36.2
88.48196	2.0
90.59841	1.9
91.05421	2.8
93.15510	1.7
97.02888	11.1
98.97547	2.6
103.05444	2.5
106.06501	2.3
107.04936	22.6
109.02868	3.2
112.32411	2.5
115.03909	100.0
115.05388	6.2
115.86777	2.0
117.06976	3.7
119.08566	2.3
123.04462	4.2
123.92542	2.1
127.03898	8.2
129.07042	2.3
131.04906	29.0
131.08533	3.9
133.06451	3.6
137.05908	17.2
143.04890	4.7
144.05702	8.4
145.04939	2.0
145.05402	2.8
145.06451	34.3
147.08052	12.0
149.05968	4.9
153.86464	2.1
157.06454	10.9
159.04453	3.2
159.07997	10.4
160.05183	8.7
161.05971	11.5
163.07504	20.1
167.32391	2.3
173.05942	10.0
175.07498	31.8
185.05914	4.4
191.06992	24.4
193.08572	32.5
203.07060	12.6
209.08142	4.9
221.08078	16.0
239.09100	29.3
257.65762	2.1
293.09512	2.1
305.19849	2.1
380.08444	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	417.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81668	15.4
56.96545	17.3
67.05490	22.9
69.03406	27.4
69.07030	18.0
70.06574	28.4
71.04990	24.8
72.08141	28.0
72.59450	17.3
73.60456	14.9
79.05463	16.2
81.07076	15.9
81.47154	14.3
84.08123	14.7
85.02905	28.0
86.09688	26.7
91.05461	20.3
93.07005	25.1
95.08580	100.0
107.04948	17.3
119.06783	16.2
121.10165	16.0
123.08051	14.3
137.05919	75.3
147.04390	24.1
153.01746	21.8
154.05707	14.7
159.08081	17.0
180.22502	15.7
196.55402	18.4
216.99605	15.1
237.14964	15.4
283.08127	19.8
410.64471	16.7
417.13098	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1753
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
53.03935	0.6
55.01870	0.7
55.05508	4.6
57.03430	14.1
59.04989	3.1
59.06118	11.0
61.02898	2.7
64.27474	0.5
65.03915	0.7
67.05450	0.5
69.03423	4.4
69.07059	0.7
70.06590	1.2
71.01330	1.4
71.04978	47.0
72.08135	2.4
73.02903	6.6
75.04465	8.7
79.05447	0.7
81.03407	0.9
82.06588	0.7
83.04966	9.7
85.02892	100.0
86.09701	3.2
87.04460	3.7
91.04882	1.4
91.05463	42.3
95.04941	1.0
97.02875	8.1
99.04440	2.5
101.06007	2.5
103.03920	0.9
105.07010	3.9
107.04947	3.3
109.02864	1.3
111.04427	4.8
117.06960	0.8
119.04921	0.9
127.03888	6.3
129.05458	21.6
133.06450	1.3
137.05977	1.3
142.08595	0.8
145.04961	2.5
145.06464	3.0
147.06500	12.7
154.02246	0.6
155.07077	1.2
157.06453	0.9
175.07518	0.9
187.10820	1.0
227.24991	0.7
264.80502	0.6
309.11627	1.2
417.15564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81604	1.1
55.05501	0.9
57.07043	1.3
61.41085	1.1
67.05492	1.1
69.07043	1.4
71.08620	1.1
79.05473	5.2
79.78756	1.0
81.07040	100.0
83.93203	1.0
95.08574	1.6
99.08058	5.3
109.06499	11.6
109.10159	1.3
127.07516	5.6
145.08546	8.9
236.14790	1.3
381.29718	2.1
416.28699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81668	15.4
56.96545	17.3
67.05490	22.9
69.03406	27.4
69.07030	18.0
70.06574	28.4
71.04990	24.8
72.08141	28.0
72.59450	17.3
73.60456	14.9
79.05463	16.2
81.07076	15.9
81.47154	14.3
84.08123	14.7
85.02905	28.0
86.09688	26.7
91.05461	20.3
93.07005	25.1
95.08580	100.0
107.04948	17.3
119.06783	16.2
121.10165	16.0
123.08051	14.3
137.05919	75.3
147.04390	24.1
153.01746	21.8
154.05707	14.7
159.08081	17.0
180.22502	15.7
196.55402	18.4
216.99605	15.1
237.14964	15.4
283.08127	19.8
410.64471	16.7
417.13098	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2303
Annotation	Pro Ile Trp
Peak:m/z	Relative Intensity
51.09509	0.3
62.95483	0.3
67.05489	0.4
68.91447	0.3
69.03419	0.7
70.06567	0.6
72.08145	0.3
74.09501	0.3
79.05492	0.3
81.03410	0.5
85.02890	1.6
86.09712	0.5
91.05474	0.7
93.07037	0.6
97.02885	0.7
99.04417	0.4
105.07013	0.7
107.08556	0.5
109.02893	0.9
111.08022	0.5
127.03925	0.6
133.06572	0.4
137.05978	1.4
160.94284	0.4
177.05489	0.4
177.12735	3.7
204.79140	0.4
235.16963	2.9
253.14874	0.3
253.17845	1.7
315.92050	0.4
397.21786	1.4
401.21283	0.4
415.22949	100.0
416.23068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.6
54.10952	0.5
55.01849	0.9
55.05497	4.4
57.03429	12.1
57.68671	0.5
59.04972	0.5
61.02912	2.1
61.03725	0.8
61.04035	16.3
67.95705	0.5
69.03407	3.7
71.04977	64.5
73.02895	3.2
73.04023	7.8
75.04460	4.7
81.03362	0.6
81.78496	0.5
83.04965	13.4
84.08105	0.6
85.02888	100.0
87.04438	2.6
91.05050	3.2
95.04945	0.5
97.02879	6.3
99.04424	2.4
101.05993	2.2
101.23732	0.5
103.03916	0.6
105.00427	0.6
109.02863	0.7
111.04399	4.8
126.53391	0.5
127.03909	4.0
129.04524	1.0
129.05453	20.8
138.05452	0.7
145.04892	4.4
147.06459	4.2
150.07716	2.2
163.05972	0.9
165.85229	0.5
177.30293	0.6
207.09793	0.8
223.09221	1.3
237.07375	0.6
255.08501	0.9
273.09656	0.8
309.11673	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	416.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87310	3.1
53.03939	4.6
55.01859	17.2
55.05509	43.2
57.03428	25.1
57.12548	3.7
62.68844	3.4
67.05487	56.6
69.07054	28.5
71.04973	6.8
71.08620	3.7
72.25385	3.4
72.66375	3.5
73.84539	3.4
75.79185	3.1
79.05465	70.3
81.03394	9.2
81.07040	95.3
83.04950	17.5
83.08597	7.3
84.00726	4.3
84.24581	3.4
89.41780	4.7
91.05453	50.6
93.07020	44.0
95.04935	18.8
95.08587	25.5
97.06475	31.8
97.10168	7.8
99.56383	3.6
101.05987	4.9
105.07000	41.4
107.04913	7.3
107.08582	33.2
109.06480	24.8
109.10134	19.0
111.04383	6.1
113.97178	4.0
117.06986	6.6
119.08540	29.7
121.06476	7.5
121.10098	9.0
123.08060	4.4
125.09611	16.2
131.08513	9.2
133.10098	29.0
135.08038	30.4
137.09706	4.4
141.06950	4.0
143.08589	6.7
145.06520	4.4
177.09038	6.2
179.10695	4.6
179.82530	5.2
193.12225	9.4
218.28131	3.6
289.17902	26.6
307.18976	8.4
361.02222	4.8
363.21652	15.7
381.22617	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	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.05498	0.3
58.98605	0.2
59.01904	0.2
59.99083	0.2
64.33347	0.2
69.07062	0.3
70.06574	0.5
72.08145	0.5
74.72961	0.3
81.03387	0.5
81.07046	0.4
82.11232	0.3
83.08586	0.4
85.02888	1.4
91.05462	0.5
93.07035	0.4
95.04941	0.4
97.02884	0.2
99.04438	0.5
100.11227	0.3
103.03900	0.6
107.08611	0.3
108.90797	0.2
109.02833	0.3
119.08518	0.4
122.05959	0.3
127.03889	0.3
137.05989	0.5
145.02811	0.4
147.04350	0.5
155.42976	0.3
163.07408	0.3
177.05521	0.4
197.08089	0.3
198.86015	0.3
203.05278	1.7
223.72414	0.2
223.81583	0.3
233.15129	0.4
251.16170	0.5
383.20306	20.0
390.86591	0.3
395.20288	2.3
413.21353	100.0
414.21518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67427	11.0
52.16270	10.5
53.03938	19.5
55.05492	22.9
55.94457	11.4
57.03419	56.4
59.54700	12.8
66.73180	11.5
67.05489	58.9
69.03403	75.4
71.04975	19.4
79.05467	63.1
81.03388	96.0
81.07050	100.0
83.04959	27.5
85.02895	59.7
91.05444	28.6
92.90833	11.5
93.07021	95.7
94.93655	12.2
95.04959	17.2
95.08578	29.1
97.02891	17.2
97.06490	31.1
99.04469	16.9
105.06982	20.6
107.08571	17.0
109.02868	24.7
121.10065	17.0
127.03880	16.7
131.08521	24.5
133.10089	18.3
149.13210	28.0
159.11644	17.0
195.13860	52.5
224.39021	13.4
236.07175	13.6
242.20201	13.5
258.66220	12.8
413.21558	82.0
413.26456	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	414.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27134	0.2
56.96564	0.2
57.03421	0.4
58.36957	0.2
67.05487	0.4
69.03419	0.5
69.07068	0.4
70.06584	0.3
71.04968	0.2
72.08147	1.2
74.61214	0.2
75.47520	0.2
78.09731	0.2
81.03384	0.3
83.04939	0.3
84.08118	0.5
85.02901	1.2
85.06535	0.5
86.09693	100.0
87.04434	0.3
91.05457	0.2
97.02874	0.2
98.97589	0.3
103.07584	0.2
107.04928	0.3
110.07153	0.2
120.20549	0.2
121.06487	1.3
121.08582	0.2
122.06869	0.3
127.03889	0.2
130.41957	0.2
132.10185	42.0
133.06482	0.3
135.04364	0.2
136.06200	1.1
147.04419	1.0
151.03992	0.2
164.01561	0.2
179.78989	0.2
193.01715	0.3
211.02794	0.9
211.73717	0.2
226.02278	0.2
229.27750	0.2
266.78268	0.2
292.20117	0.3
353.49896	0.2
360.10999	0.2
398.33408	0.3
398.38934	0.3
414.17102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52666	1.5
53.61056	1.7
53.85241	1.7
55.05506	41.8
57.07066	14.4
58.06302	1.6
59.04983	3.2
67.05492	71.9
68.13213	1.9
69.07054	76.7
71.04973	12.0
71.08606	2.7
79.05474	10.4
81.07041	92.1
83.08601	52.6
91.05468	12.5
93.07018	22.6
95.08590	100.0
97.06505	3.6
97.10143	34.2
105.07024	9.5
107.08579	11.6
109.10147	77.5
111.08028	3.7
111.11697	14.8
119.08563	10.2
121.10119	14.9
123.11681	10.7
125.09534	2.3
127.11167	47.1
133.10126	12.0
135.11676	23.4
137.13210	3.7
138.24872	2.0
139.11179	3.6
144.75276	2.4
147.11734	4.7
149.13287	2.3
151.11153	3.2
161.13258	9.9
165.12724	3.7
179.14262	4.0
204.81163	1.9
209.52979	2.3
217.19511	17.8
235.20560	25.1
253.21588	18.9
397.33032	13.0
414.32730	7.2
419.73248	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	413.1779
Annotation	Fluocinolone
Peak:m/z	Relative Intensity
70.06568	0.5
82.06288	0.5
85.02904	0.8
85.39783	0.4
87.15879	0.5
95.31192	0.5
98.97598	0.6
116.98598	0.6
134.99698	0.9
136.06194	4.3
137.05991	2.7
150.05469	0.5
162.04085	1.1
163.85152	0.6
203.05284	6.0
233.11426	4.8
251.12428	2.1
360.15146	0.8
413.17758	100.0
414.18558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1415
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.54737	0.2
56.05030	0.5
71.59885	0.2
74.06068	2.2
85.02902	0.4
88.52896	0.2
96.71576	0.2
97.41519	0.2
102.05524	1.5
119.03519	2.9
120.06555	4.3
136.06172	100.0
137.04572	2.0
137.05962	0.9
139.92592	0.2
154.97691	0.2
155.29271	0.2
162.04089	58.2
222.90163	0.2
265.91696	0.2
268.10324	0.7
281.09888	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	413.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09248	0.5
61.18390	0.6
68.01286	0.5
83.01077	1.3
85.02869	0.8
86.83236	0.6
89.48276	0.7
90.92752	0.6
92.68803	0.6
95.01092	1.0
98.97643	0.6
112.01342	0.8
113.02122	2.7
119.47463	0.6
136.06169	17.6
147.04369	3.3
159.63402	0.5
162.04062	9.2
167.94838	0.6
185.04189	3.7
191.06963	5.6
192.07347	2.6
208.17027	0.6
211.95978	0.5
237.89713	0.6
239.94427	0.6
243.08047	0.7
259.07755	0.8
281.09793	4.2
316.04730	0.7
324.17709	0.7
401.41516	0.6
412.19418	1.2
413.14117	100.0
414.14319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04687	8.0
55.05494	7.8
56.77238	6.9
58.22432	8.9
66.08397	8.5
70.99272	8.1
76.33644	8.0
76.56069	8.1
81.07050	9.8
92.08775	17.6
93.07057	14.6
107.08598	13.4
134.64934	9.8
237.22859	9.6
250.98677	12.5
268.89423	9.3
275.20078	23.0
306.82538	10.9
349.23642	100.0
403.53351	12.2
412.27179	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	412.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
57.03418	1.3
59.41266	0.2
59.93322	0.2
65.03931	0.2
69.03405	0.3
70.06565	0.3
71.04944	0.2
72.08119	0.2
75.04472	0.4
75.43398	0.2
79.05437	0.4
79.25818	0.2
81.07047	0.4
83.52104	0.2
85.02885	0.5
91.05453	0.8
94.04153	1.1
95.04949	0.4
95.65659	0.2
97.02858	1.1
98.97556	0.2
105.07039	0.2
107.04977	0.2
110.03625	0.9
111.04405	0.9
119.04912	1.0
121.06462	1.0
122.03625	4.4
124.02052	0.2
125.05970	3.2
135.04398	0.4
136.06143	1.2
137.05954	100.0
141.79309	0.2
147.04367	1.5
149.05954	2.6
151.07516	1.8
153.06940	1.7
158.20839	0.2
161.05928	0.8
163.07478	0.4
165.06999	0.3
179.07027	0.3
181.06436	3.6
182.07166	0.3
183.07941	0.3
193.06503	0.4
195.07982	0.4
197.05951	0.4
198.06723	0.4
199.09630	1.0
207.04413	0.4
209.05919	1.1
210.06766	0.4
211.07507	1.1
211.09633	3.9
213.09016	2.5
219.01955	0.2
221.06003	0.4
223.07516	0.2
225.05475	0.4
225.09006	1.2
229.08522	0.3
237.02802	0.2
239.06987	0.9
241.08534	3.0
253.08543	2.1
258.08789	4.4
265.08398	0.3
270.08810	0.3
271.09613	0.8
272.10361	9.5
273.11154	5.3
285.11075	1.6
297.11237	0.4
341.13834	0.3
342.35605	0.2
347.14789	7.2
359.14859	1.5
362.89063	0.2
412.16040	0.3
412.20944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.6
57.03414	1.4
57.07063	0.2
69.03387	0.3
70.06565	0.4
72.08105	0.2
75.04470	0.3
79.05460	0.3
81.03407	0.3
81.07041	0.3
85.02879	1.6
91.05449	1.0
93.07013	0.3
94.04151	1.5
95.04908	0.4
97.02879	0.9
98.97573	1.1
107.04935	1.1
109.02802	0.3
110.03637	0.5
111.04407	0.5
112.90936	0.2
116.98575	0.5
119.04935	0.5
121.06479	1.1
122.03615	5.7
124.07597	0.3
125.05965	2.6
135.08052	0.3
136.06165	6.2
137.05951	100.0
147.04402	1.3
149.05963	2.5
151.07512	1.6
153.06970	1.7
154.94212	0.3
161.05920	0.5
163.07520	0.4
165.06961	0.6
167.08540	0.3
172.95247	0.4
175.07503	0.4
179.07062	0.5
181.06375	3.0
183.07936	0.3
189.03703	0.2
193.06445	0.4
195.08002	0.5
197.05916	0.4
197.11638	0.5
199.09628	1.2
207.04356	0.4
209.05968	0.4
210.06810	0.5
211.07596	1.0
211.09625	3.8
213.09108	2.4
218.69008	0.3
221.05829	0.5
223.07419	0.4
225.05426	0.3
225.09058	1.1
227.10527	0.3
239.07059	1.0
241.08553	2.7
253.08427	2.4
258.08832	4.8
271.09644	1.4
272.10345	10.3
273.11102	5.5
274.48993	0.3
285.11221	1.6
296.35303	0.3
297.11295	0.5
311.12677	0.4
341.13705	0.4
347.14810	7.0
359.14734	1.6
360.09506	0.4
377.15762	0.4
412.16046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2505
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
51.39417	0.8
55.05508	9.1
56.04328	0.9
57.03430	15.7
57.07069	65.0
63.62432	0.9
65.13993	0.9
67.05496	16.5
69.07058	8.5
71.08250	2.0
71.08618	41.9
72.69669	1.1
79.05483	2.3
81.07041	21.0
83.08616	10.7
85.10173	22.8
89.06023	4.1
91.05472	3.9
93.07024	5.3
95.04931	1.6
95.08591	30.4
97.10142	4.6
97.63444	0.9
98.98447	100.0
105.07018	3.7
106.07327	2.4
107.08589	1.0
109.10136	12.4
114.37058	1.1
116.99449	4.0
119.08549	2.4
123.11668	5.4
128.35382	1.1
137.13234	1.4
155.01025	75.4
173.02100	4.1
173.13521	1.0
199.40540	1.0
239.23706	12.4
313.27328	37.1
393.23953	8.3
424.91913	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72167	0.6
52.12199	0.7
55.01858	0.8
55.05501	1.4
56.05010	1.4
56.96550	9.7
63.81632	0.6
67.05483	5.1
69.07043	1.6
70.06578	1.0
79.05475	3.3
81.03380	0.9
81.07039	6.8
83.08582	1.5
84.04488	32.4
86.06042	4.5
87.04418	4.1
91.05454	1.9
93.07018	4.0
95.04946	2.9
95.08566	4.3
97.06511	6.0
98.06020	5.3
98.97502	0.8
102.05505	0.9
105.07004	1.3
109.06485	1.2
109.10117	3.8
119.08526	5.9
123.04382	0.9
124.07539	3.1
130.04965	17.2
137.05989	0.9
137.09564	9.5
147.04297	1.0
149.05954	1.0
154.12282	0.9
162.38268	0.8
173.80101	1.0
181.01598	1.6
182.99626	1.2
195.03307	1.2
201.00673	4.8
201.91724	0.9
206.99594	4.8
213.04373	1.1
219.03378	1.1
221.01225	6.3
221.98357	1.1
222.14748	1.3
225.00627	27.6
226.98549	1.9
229.00174	1.0
230.00803	1.0
239.02174	1.5
239.99548	1.0
243.01695	41.0
243.05731	1.4
244.99585	4.0
247.16858	1.6
253.00131	1.2
258.16925	17.1
259.02664	1.0
261.02859	4.8
263.02325	1.2
265.17990	1.6
267.03293	1.3
277.03748	1.5
281.03323	1.8
285.04276	1.7
287.02216	9.9
299.04648	1.2
301.03830	1.6
302.00137	0.8
303.05502	2.7
305.03220	16.9
311.01999	8.4
320.01184	1.8
329.03250	28.6
347.04306	100.0
348.04761	1.0
365.05368	62.6
370.05988	1.4
371.04367	11.1
389.05423	12.8
412.22934	5.2
412.26999	4.8
420.62283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	34.2
71.95248	1.5
72.29025	1.4
72.96001	1.8
110.97579	3.2
126.87635	1.5
128.98579	10.9
129.19257	1.2
130.99950	1.8
131.96877	1.5
136.33295	1.4
140.98428	1.9
146.99628	7.2
174.98990	3.4
185.04802	2.2
199.06378	1.8
203.02054	1.8
203.05789	1.5
213.07912	3.0
217.07474	6.3
218.04654	2.7
219.26981	1.5
223.10147	2.2
225.96193	1.5
231.09024	5.6
239.09528	2.2
241.11069	49.9
253.10927	2.1
257.10403	2.9
259.12119	88.1
264.12848	1.4
269.10620	9.1
282.14005	2.0
287.11578	2.2
303.87781	1.4
333.17358	2.4
351.18384	34.4
369.19424	100.0
370.19821	2.3
378.68024	1.6
387.20670	12.0
392.20840	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
54.50666	0.8
57.03421	1.6
61.02913	1.0
64.58672	0.7
69.03416	11.5
69.06717	1.1
69.07057	14.7
70.06560	1.1
71.04973	4.4
73.02900	1.0
80.77273	0.8
81.03394	10.8
85.02891	46.9
85.96212	0.8
87.08080	11.4
87.08566	1.2
91.05475	1.5
95.04915	1.4
95.08602	1.2
97.02866	15.3
99.04436	38.3
101.79694	0.8
102.28809	1.0
103.03923	58.6
107.08552	0.9
109.02859	9.8
115.07565	4.9
127.03896	55.1
136.03760	0.7
145.04932	14.6
163.05997	7.3
171.10114	1.0
186.39296	0.9
187.06006	1.7
200.99582	0.8
213.11140	0.9
273.13217	10.4
293.72861	0.9
372.63022	0.8
411.19913	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	411.1986
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.57612	0.3
55.05511	0.4
56.96547	0.6
57.03420	0.4
59.44883	0.3
64.51478	0.3
64.59098	0.4
67.05487	0.4
69.03409	0.6
71.04957	0.8
72.12432	0.4
83.04968	1.8
83.08630	0.4
85.02889	2.4
91.05463	0.5
93.37910	0.4
98.97541	3.0
105.07012	2.3
116.98593	1.8
119.08556	0.8
124.95586	0.3
128.98607	0.5
147.11691	0.7
167.14304	0.6
203.03452	0.6
203.05255	6.4
205.12047	0.4
209.15358	0.5
231.13509	1.9
249.14661	1.9
254.04375	0.7
255.90556	0.4
271.05667	0.4
283.06021	0.8
313.07019	0.7
317.05945	0.6
325.06866	0.8
345.97778	0.4
390.08835	3.3
390.59177	2.3
411.19843	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	410.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.4
53.03936	3.5
54.97408	0.4
55.01857	0.5
57.03420	2.0
61.02903	1.7
69.03418	11.0
69.07053	15.2
71.04967	3.9
73.02893	2.6
81.03399	15.0
83.04961	0.5
85.02892	70.6
87.04452	0.7
91.03915	0.8
93.07004	0.5
95.04913	0.4
96.74689	0.5
97.02264	0.9
97.02874	21.6
97.03498	0.7
99.04437	48.5
103.03927	100.0
109.02868	14.9
126.09729	0.5
127.03896	86.5
145.04942	40.5
145.05910	0.7
150.49620	0.4
152.05833	0.5
163.05992	34.8
187.05969	2.4
205.07045	2.5
253.06920	0.6
271.08011	4.5
289.09052	6.0
307.10150	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	410.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43192	0.5
51.02363	0.5
55.01864	2.6
55.05510	0.8
57.75819	0.6
63.39584	0.5
67.05493	0.8
69.03417	0.8
69.07051	1.5
71.04974	0.6
79.05475	3.2
81.03386	0.7
81.07061	1.4
84.08130	0.9
85.02892	1.0
91.05460	17.1
92.08699	0.7
93.07044	4.3
95.04961	2.7
95.08602	0.7
97.06508	2.5
102.04662	1.0
103.05445	7.1
105.07008	10.6
106.04156	0.8
107.04937	9.3
107.08611	0.7
109.06507	1.0
111.04444	1.1
115.05412	3.0
119.04916	16.6
120.08077	2.3
121.06483	13.6
122.03603	4.8
123.08074	0.8
125.05953	0.9
130.04120	4.2
131.04906	6.4
133.02788	1.3
133.06441	6.7
135.04407	6.8
135.08060	0.8
135.11673	2.1
135.70737	0.7
137.05959	61.8
143.04964	1.1
146.03557	0.9
147.04393	24.2
147.08127	0.7
149.05960	33.9
150.06741	7.2
151.07545	3.9
153.05469	3.2
161.05948	100.0
162.06714	18.2
163.07466	4.2
165.05743	0.6
165.06961	4.7
167.07033	0.9
167.90456	0.6
174.06760	2.7
175.07527	8.5
177.05409	0.6
179.06999	3.7
179.08479	2.0
182.07291	1.0
188.04697	3.0
191.07037	2.9
193.06461	7.0
194.07277	1.0
195.06506	5.7
195.08072	1.1
195.13788	1.1
197.09564	0.9
203.07011	39.3
205.06509	1.3
205.08592	0.8
207.08055	1.0
210.06723	5.7
211.07573	0.7
213.14845	4.4
221.05957	11.9
221.08087	12.3
222.06773	3.0
224.08235	1.4
225.09081	11.8
227.07083	1.2
233.06041	1.0
233.08032	8.4
235.07582	1.1
237.09108	1.1
238.06204	3.7
239.06998	1.2
249.09109	2.3
250.06189	0.8
251.06967	0.7
252.07861	2.6
253.08528	19.4
254.09369	0.7
255.06610	1.2
265.08585	5.8
267.10150	7.9
267.12949	0.9
270.08914	3.4
277.08551	2.8
285.11160	45.8
292.07242	0.8
294.08826	1.0
295.09686	3.5
297.11111	10.6
307.09561	0.9
309.11130	6.1
325.10648	10.4
327.12219	45.6
339.12152	3.6
345.13266	15.4
357.13193	2.5
373.22281	0.6
410.18890	1.5
410.25143	1.2
411.19717	0.9
431.23166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06490	0.7
55.01873	1.2
55.05499	1.5
57.03426	1.3
63.97068	0.8
65.03927	1.2
67.05477	4.3
69.03407	3.7
69.07045	2.2
71.04962	3.6
77.95009	0.9
79.05477	5.4
81.07053	6.2
83.04973	1.0
83.95142	1.0
85.02900	3.9
85.06529	1.1
87.04469	1.2
91.05469	15.3
93.07022	7.2
94.04173	1.3
95.04955	3.8
95.08587	6.0
97.06509	1.7
97.10119	0.9
102.04657	0.9
103.05457	9.2
105.03354	1.4
105.07015	11.0
107.04939	8.8
107.08572	8.5
109.06504	2.0
109.10136	8.0
115.05424	2.1
117.07026	1.3
119.04927	18.9
121.06496	13.6
121.10093	1.8
122.03632	4.3
123.08025	0.9
125.05979	1.7
130.04134	5.4
131.04933	6.2
133.02818	1.6
133.06467	7.0
133.10176	1.0
135.04362	6.1
135.08022	3.4
135.11665	8.2
137.05954	65.7
146.03560	1.3
147.04395	26.6
147.08003	1.1
149.05968	34.2
150.06734	7.4
151.03906	1.1
151.07538	5.4
153.05424	6.0
153.09142	1.0
153.12689	5.7
161.05949	100.0
162.06705	19.1
163.07484	5.4
165.06978	3.7
174.06740	1.5
175.07518	10.0
176.04510	1.1
177.12860	1.4
177.16342	1.6
179.07024	6.5
181.08578	1.3
188.04680	4.1
193.06429	5.5
194.07266	1.4
195.06488	4.0
195.13840	1.0
195.17474	1.5
203.07004	37.5
209.09627	1.1
210.06740	4.7
213.14874	9.4
213.18489	1.7
215.06978	1.7
221.05931	9.2
221.08075	11.9
222.06685	1.1
224.08415	2.1
225.09018	12.5
233.08026	4.1
235.07481	1.6
237.09116	1.6
238.06213	5.1
251.06960	1.2
252.07788	2.2
253.08549	19.4
265.08466	6.0
267.10104	8.1
270.08826	3.9
277.08575	1.2
280.18814	1.4
285.11166	43.8
295.09546	3.4
297.11163	10.0
309.11179	6.1
325.10587	9.3
327.12183	44.6
339.12213	1.8
345.13266	14.9
357.13141	4.9
366.22623	1.8
369.21396	1.1
410.19855	1.2
410.25290	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01862	8.2
55.05504	16.3
57.03423	5.3
57.07059	15.8
67.05488	2.8
69.07055	28.7
71.08598	4.9
81.03392	12.0
81.07027	5.0
83.08613	22.0
85.10170	2.2
92.08731	3.0
95.08583	4.8
97.10156	9.1
107.08601	3.8
109.02876	21.6
109.10156	4.7
115.03903	5.3
116.27431	2.3
127.02963	4.5
127.03893	100.0
141.05493	2.9
163.93689	2.5
169.08501	2.6
183.10150	2.7
204.64749	2.0
212.40320	2.5
253.18024	5.2
254.90779	2.1
391.31946	28.0
409.33093	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01859	2.8
55.05510	21.6
57.07062	8.0
59.04985	2.6
67.05493	30.6
69.03416	10.5
69.07055	10.9
71.04961	6.8
77.72192	1.8
79.05479	32.6
81.06601	2.2
81.07045	40.7
83.04958	9.3
83.08582	3.7
85.06511	1.5
91.05465	48.2
93.07030	64.2
95.04954	50.4
95.08584	34.9
97.06509	11.2
103.05450	2.2
104.57012	1.5
105.07021	100.0
107.04926	2.0
107.08581	25.7
109.06511	16.8
109.10134	19.9
111.08044	1.9
115.05442	6.7
117.07014	18.7
119.08562	60.0
120.09411	1.7
121.06483	18.6
121.10123	15.6
121.94746	1.9
123.08052	20.4
128.06181	8.3
129.06949	13.4
130.07729	8.8
131.08566	29.1
133.06491	3.8
133.10104	23.4
135.08037	14.6
135.11702	2.0
137.06007	1.9
137.09584	6.8
141.06984	6.8
142.07762	19.8
143.08528	29.2
144.09332	2.7
145.06502	2.0
145.10103	41.7
147.08015	16.1
147.11659	19.8
149.09654	7.5
151.07552	17.3
154.07733	2.8
155.08560	13.2
156.09320	10.9
157.10139	22.6
159.08014	8.2
159.11729	15.7
161.09549	12.3
161.13269	1.9
163.11157	3.6
165.09102	25.9
167.08499	2.3
168.09221	3.4
169.10103	12.6
170.10851	2.8
171.11722	13.1
173.09630	6.6
173.13242	7.4
175.11168	10.2
179.08502	2.8
180.09325	2.1
181.10092	8.2
182.10902	3.5
183.11650	9.6
185.13202	3.5
187.11188	3.3
189.12668	7.3
193.10214	2.3
194.10928	2.8
195.11647	3.3
196.12370	2.7
199.11183	1.8
201.12617	2.8
203.14334	9.7
207.11723	2.7
207.13742	2.0
209.13307	3.3
209.15358	1.8
211.14819	1.9
212.43694	1.7
214.44466	1.8
219.11734	1.9
221.13203	4.1
221.15300	38.9
233.08128	1.8
234.16153	4.0
237.58778	1.9
279.04645	1.7
287.20026	3.8
300.20856	2.4
329.21198	3.6
391.26428	2.9
409.27252	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01855	1.8
55.05508	21.2
57.03403	1.2
57.07071	9.7
59.04980	2.3
65.03926	1.9
67.05491	24.1
69.03405	11.2
69.07066	9.9
71.04994	1.6
79.05474	33.9
81.03409	1.9
81.07042	39.9
83.04963	5.9
85.06517	2.0
91.05466	52.1
92.08737	2.2
93.07028	65.7
95.04954	55.1
95.07997	2.1
95.08590	39.0
97.06522	10.0
98.98507	1.7
103.05449	6.2
105.07018	100.0
105.49082	1.1
107.04945	2.0
107.08582	28.9
108.67021	1.4
109.06509	21.4
109.10146	7.6
111.04426	1.2
111.08074	2.1
115.05435	1.4
116.06244	1.6
117.07020	13.5
119.04935	1.4
119.06065	1.8
119.08569	62.8
121.06491	18.9
121.10107	16.5
123.08051	17.5
128.06212	9.8
128.61086	1.3
129.07002	13.2
130.07770	8.6
131.08543	23.5
132.09317	1.7
133.06458	5.2
133.10091	21.2
135.08006	13.0
135.11690	2.1
137.05988	2.9
137.09596	7.8
141.06932	6.3
142.07774	17.8
143.08560	27.9
144.09331	8.6
145.06442	1.6
145.10114	34.7
147.08002	18.6
147.11668	17.1
148.08839	1.6
149.09590	12.2
151.07550	13.2
153.06985	4.9
154.07727	2.2
155.08537	6.2
156.09314	9.3
157.10101	26.0
158.10934	2.8
159.08020	6.3
159.11641	18.1
161.09607	9.8
161.13261	4.9
165.06982	4.7
165.09065	23.6
166.07709	1.2
167.08540	5.8
168.09328	5.6
169.10089	12.1
170.10869	2.5
171.11588	9.7
173.09589	4.5
173.13225	5.3
175.11195	11.4
175.14746	1.4
177.09070	1.2
179.08546	4.7
180.09286	1.7
181.10100	8.2
182.10844	2.3
183.11671	12.7
184.12389	1.3
185.09508	1.7
185.13242	5.0
187.11177	5.4
187.14787	1.3
189.12712	2.9
193.10081	2.9
194.10854	2.5
195.11696	5.2
197.09651	1.5
197.13203	2.5
199.11105	2.9
199.14726	2.3
201.12747	4.7
203.14276	9.3
207.11723	4.8
207.13768	5.7
209.13225	2.4
211.11201	1.5
211.14790	4.3
213.12752	1.8
221.13371	2.6
221.15320	46.6
233.15366	1.6
234.16087	5.9
249.16240	1.3
253.15759	1.7
286.19290	1.9
287.19998	2.7
326.03510	1.3
329.21143	4.9
370.76642	1.4
391.26480	2.7
409.27237	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01855	2.8
55.05505	22.3
57.07060	8.2
57.57521	1.2
58.82782	1.2
59.04985	2.1
64.32741	1.4
67.05488	20.4
69.03426	11.1
69.07054	6.3
71.04983	1.7
71.70778	1.4
79.05473	30.9
81.03365	1.7
81.07040	39.1
83.04962	3.0
83.08604	3.1
85.06527	1.6
85.54518	1.4
87.26911	1.2
90.30507	1.3
91.05457	39.2
93.07025	59.0
95.04944	44.6
95.08585	34.7
97.06517	8.3
98.98480	3.2
103.05450	5.4
105.07014	100.0
106.07316	1.8
107.04932	1.5
107.08584	26.7
109.06503	18.0
109.10135	7.4
115.05431	3.1
117.07002	17.8
119.08560	48.4
121.06484	22.3
121.10132	16.0
123.08043	14.3
128.06226	2.9
129.07018	13.1
130.07761	6.4
131.08542	25.3
133.06538	1.7
133.10121	18.4
135.08047	10.0
135.11644	2.0
137.09590	6.0
141.06972	3.0
142.07794	16.6
143.08545	20.0
144.09383	7.1
145.06531	2.6
145.10107	36.0
147.08061	18.0
147.11652	15.5
149.09641	7.8
151.07533	13.6
153.07031	2.5
155.01079	3.0
155.08540	14.3
156.09344	10.9
157.10109	22.5
158.10931	2.3
159.08011	8.7
159.11632	13.9
161.09631	2.4
165.09122	20.3
167.08488	3.3
168.09348	6.8
169.10129	11.8
171.11574	9.7
172.08830	2.0
172.12363	1.9
173.09633	3.0
173.13239	2.9
175.11159	6.7
179.08638	2.2
180.09259	2.9
181.10094	10.2
183.11659	9.5
185.13264	5.2
187.11107	5.3
187.14673	1.6
189.12749	3.4
193.10208	2.9
195.11711	6.8
196.12508	2.2
197.13182	2.4
199.11186	1.7
201.12730	5.6
203.14339	8.5
206.10797	1.7
207.11823	1.5
207.13707	2.2
209.13245	2.4
209.15347	1.6
211.14825	5.6
213.12895	1.4
216.14984	1.6
221.13203	2.8
221.15308	38.2
223.14737	1.7
225.16325	2.8
233.13255	1.6
234.16006	2.7
236.87967	1.3
286.19125	2.1
287.20050	2.2
311.25461	1.6
329.20941	2.4
391.26367	2.6
409.27405	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01854	3.5
55.05505	26.4
56.48524	2.1
57.07062	10.2
59.04987	3.0
59.89649	2.0
65.17741	2.1
67.05492	27.3
69.03399	11.4
69.07060	15.6
71.04965	2.5
79.05476	31.5
81.07038	44.4
83.04966	3.1
85.06524	4.5
87.75832	2.3
91.05453	47.9
93.07023	60.2
95.04947	52.9
95.08585	32.2
97.06512	12.2
103.05431	5.2
105.07015	100.0
107.08585	24.2
109.06493	12.1
109.10124	8.4
117.07001	17.3
118.26411	2.0
119.04977	2.0
119.08559	71.7
121.06482	24.7
121.10117	20.3
123.08028	21.6
128.06180	4.5
129.06985	12.7
130.07738	4.9
131.08517	29.3
132.09293	2.7
133.06407	3.8
133.10126	24.1
135.08023	15.2
137.09590	9.5
141.06946	4.1
142.07724	11.4
143.08543	26.3
144.09349	2.1
145.10124	43.6
146.10698	3.0
147.08008	14.1
147.11688	18.1
149.09590	10.4
151.07542	15.1
155.08516	12.4
156.09311	12.3
157.10092	25.0
159.07977	4.3
159.11745	18.2
161.09586	5.2
161.13278	4.4
165.06955	3.6
165.09074	26.0
167.08496	3.7
168.09352	3.5
169.10049	15.8
170.10838	3.8
171.11646	11.3
173.09505	3.7
173.13177	4.6
175.11139	12.7
177.09061	3.1
181.10097	5.3
182.10951	2.2
183.11662	9.4
185.13231	3.2
187.11104	2.6
192.09569	2.3
193.10094	3.5
195.11601	4.4
201.12750	2.8
203.14294	9.8
207.13651	3.0
209.13251	3.4
213.12831	2.7
219.13741	3.0
221.15308	45.7
286.19171	3.0
329.21432	3.6
335.01349	2.4
409.27100	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47713	0.6
73.31138	0.5
92.08674	0.6
154.73061	0.5
201.29585	0.5
241.35977	0.7
367.17914	1.0
409.25558	100.0
410.25681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71203	0.4
54.81519	0.4
56.96566	4.1
57.53956	0.4
58.59690	0.5
73.61618	0.5
75.14794	0.4
77.15737	0.4
98.97475	0.5
113.81586	0.4
114.75582	0.5
145.85606	0.5
157.70769	0.5
187.84175	0.5
211.06404	0.5
213.07899	0.7
217.07440	0.5
225.08058	0.7
231.08914	1.8
255.09132	0.5
267.08960	2.7
269.10495	4.1
285.10052	2.6
287.11545	2.6
316.80548	0.5
349.16772	0.5
357.70251	0.4
367.17810	3.2
389.58560	0.6
409.25510	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	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85012	0.6
56.47334	0.5
67.05476	0.6
81.07031	1.5
102.54536	0.5
115.05258	0.6
131.33786	0.6
139.42220	0.6
146.95840	0.8
178.97597	0.6
182.88782	0.6
211.27415	0.7
305.81995	0.6
322.95636	0.6
409.25507	100.0
410.26096	0.8
427.55176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.5
62.20422	0.3
64.69694	0.3
65.38754	0.3
130.02554	0.3
214.00491	0.4
273.93982	0.3
285.10046	0.8
367.17752	0.9
409.25513	100.0
410.25894	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	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96310	0.9
56.96557	8.8
57.09018	0.4
76.56162	0.7
77.67035	0.5
77.73002	0.5
81.07064	1.0
83.04887	0.5
97.96777	1.3
115.97817	1.0
119.60261	0.6
128.98578	2.3
146.99622	2.5
173.01149	0.8
189.00534	1.0
199.06465	0.6
203.05925	1.4
213.07938	0.9
217.07399	1.1
223.08412	0.7
231.09052	2.8
239.09573	3.0
241.11037	8.7
242.08089	0.9
244.09654	0.7
253.11015	0.9
257.10583	2.3
259.12128	16.3
260.09299	0.8
269.10565	2.2
280.09845	1.0
297.10077	1.3
298.10745	1.0
316.12003	0.8
331.15811	1.4
335.21753	0.8
349.16791	12.7
367.17850	24.6
368.18213	0.7
385.19061	2.2
390.19162	0.8
409.25537	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	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22487	0.2
55.05502	0.4
55.09064	0.2
63.10555	0.3
65.72477	0.2
67.05476	0.3
68.63983	0.3
69.03409	0.5
70.27493	0.2
72.08128	0.3
78.57208	0.2
79.05431	0.3
81.07020	1.1
83.04980	0.5
83.53532	0.3
84.04446	0.2
84.86010	0.2
85.02900	1.4
91.05449	1.1
93.07026	1.6
95.08578	0.5
99.04421	0.5
105.07026	1.9
107.08578	0.4
115.58417	0.2
119.08584	1.1
120.08926	0.3
121.10152	0.2
122.08430	0.3
125.09579	0.6
125.17105	0.3
131.60036	0.3
133.10112	1.1
135.11641	0.3
147.11671	4.0
148.12071	2.0
172.58028	0.3
175.11089	0.5
176.11530	0.3
186.26520	0.3
189.08807	0.3
193.12198	1.8
194.12683	0.3
211.13289	0.5
229.12027	1.1
247.13016	1.5
285.09351	1.7
341.65027	0.3
381.94925	0.2
409.18246	100.0
410.18555	1.2
433.68594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60669	0.7
56.96283	1.2
56.96555	31.0
56.96830	1.2
63.68930	0.7
64.33191	0.9
71.95232	4.5
72.96022	0.9
79.77187	0.7
84.96028	1.3
97.96760	7.0
98.89497	1.1
98.97566	1.3
110.97564	3.7
115.97813	4.0
116.98486	1.2
128.98601	7.5
130.99992	1.9
133.98845	1.4
137.02707	1.0
143.00035	1.6
145.01686	1.0
146.99623	10.1
155.00183	1.3
155.03770	1.2
160.00426	1.9
160.71066	1.0
161.01115	1.7
165.00618	1.4
171.03221	2.0
173.01160	3.3
174.99020	0.9
185.04887	1.6
189.00536	3.9
189.04303	2.0
191.02193	1.2
198.05435	1.0
199.02791	2.0
199.06424	2.2
200.71045	1.1
201.04276	1.8
203.02129	1.4
203.05872	6.4
205.07492	1.4
211.06290	1.0
213.04260	1.6
213.07944	5.9
215.05997	1.2
216.03157	1.0
217.03833	3.2
217.07420	6.8
223.08360	1.4
223.10239	1.5
225.07936	1.5
226.08742	1.0
227.05879	1.1
229.07324	1.0
231.08968	6.9
239.09552	8.4
241.11049	37.5
242.08224	5.5
243.08986	1.3
251.05734	0.9
255.05479	1.6
257.10568	10.4
259.12112	69.1
260.09277	1.8
260.12460	0.9
267.09015	1.4
269.10483	6.1
271.12094	2.0
279.09131	1.3
280.09753	4.4
282.13617	1.9
285.10034	1.4
287.11426	2.2
297.09958	5.3
298.10846	8.2
307.15799	1.4
315.11142	1.3
316.11807	5.2
331.15729	7.0
349.16791	52.5
350.17651	1.0
367.17844	100.0
368.14096	1.1
368.18607	1.6
372.18842	1.1
385.18948	8.6
390.19485	5.7
409.25482	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	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
66.65946	0.4
69.03400	0.8
69.07035	0.7
81.07032	1.7
84.04507	0.5
85.02899	1.0
85.20752	0.4
91.05461	0.5
93.07038	1.9
95.08580	1.0
97.06485	0.5
101.05981	0.4
105.07015	3.1
106.07327	0.9
107.04920	0.4
107.08572	2.6
108.08933	0.4
109.10117	0.5
119.08574	3.3
121.10098	0.8
123.11686	1.0
123.36066	0.4
125.09654	0.4
127.03873	0.4
133.10121	1.9
147.04358	0.5
147.11674	2.2
148.12025	1.0
151.11188	0.7
157.10031	0.5
165.12697	0.6
166.13019	0.4
175.11153	3.8
175.14754	2.0
176.11479	0.9
188.28165	0.4
193.12288	3.0
193.15836	1.6
194.12613	0.7
211.13193	2.9
211.16840	0.4
212.13664	1.5
247.05864	0.6
409.11261	5.1
409.18240	100.0
410.18463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02245	0.5
55.01871	1.1
55.05501	8.3
56.49957	0.5
56.96537	0.6
57.03430	2.5
57.07062	2.6
57.35626	0.5
59.04984	2.7
61.02912	0.9
67.05491	8.7
69.03410	3.3
69.07054	21.6
71.04978	10.4
79.05470	5.3
81.03390	1.1
81.06599	0.9
81.07040	18.0
82.01118	0.5
83.04954	0.9
83.08601	10.0
85.02894	9.7
85.06521	4.8
85.96716	0.6
86.09696	0.7
91.05448	4.2
91.53689	0.6
92.08650	1.6
93.07020	18.5
95.04939	1.6
95.08584	30.2
95.09212	1.1
97.02878	2.5
97.06511	15.8
97.10155	0.8
99.04428	6.9
99.08057	3.4
105.07032	8.4
107.08568	27.1
109.02843	0.8
109.06493	11.5
109.10139	46.0
111.08048	3.3
111.11713	2.8
113.09632	1.2
115.07536	7.5
119.08551	24.8
121.10107	11.4
123.08037	9.9
123.11676	21.6
125.09647	2.5
127.03911	2.5
127.07514	0.9
127.11209	3.0
131.04900	0.7
133.09061	0.9
133.10100	46.3
135.11668	50.2
137.05943	1.1
137.09586	9.4
137.13242	0.9
139.11166	0.7
141.09164	0.7
141.12682	0.7
145.04916	0.7
145.10165	0.7
147.11688	4.9
148.17274	0.7
149.13222	16.8
151.14783	1.2
153.12741	5.5
155.10678	1.5
165.12688	1.0
167.14374	1.0
175.14790	58.1
177.16360	3.3
192.56120	0.6
193.14047	1.2
193.15842	49.7
211.16895	100.0
212.17249	0.7
300.15982	2.3
309.77808	0.7
313.59995	0.6
346.16476	2.9
367.45441	0.7
407.85260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05487	1.2
56.05008	1.7
57.03439	1.4
60.99172	1.1
61.62545	1.0
65.73676	1.0
67.56675	0.9
69.03411	4.2
69.07038	2.0
70.06577	2.2
71.04985	1.1
72.08111	1.8
74.56203	1.1
76.02184	1.1
77.75739	1.0
78.01759	1.5
79.05476	1.5
81.03371	1.4
81.07027	5.9
82.07375	1.3
84.04498	8.6
84.08125	1.6
85.02888	8.8
85.06527	1.2
85.58363	1.0
86.09657	1.1
91.05454	2.3
93.07049	1.2
95.01904	1.5
95.04974	1.4
95.08579	2.3
98.09676	1.5
99.10069	1.2
99.11772	0.9
105.07011	1.7
105.61958	1.3
107.08575	1.1
109.02900	1.1
118.01228	4.2
119.01896	1.4
119.04905	2.2
123.08133	1.2
125.05956	2.1
127.03884	1.4
130.04977	2.0
132.08879	1.3
137.05966	5.6
145.10081	1.5
147.04367	10.0
148.04701	1.2
151.03857	1.5
156.10204	1.7
158.06007	2.1
164.01700	1.7
173.02846	1.7
182.75658	1.1
185.04167	5.2
189.05391	2.2
196.07330	4.4
211.09645	6.2
212.09874	1.8
223.04622	1.4
246.04913	1.4
247.04352	2.1
247.06068	1.2
257.70279	1.0
260.11371	2.0
261.10721	7.1
265.05557	6.7
283.06641	1.3
307.06613	1.5
349.07568	4.7
350.08502	1.5
367.08606	6.4
385.09756	1.6
409.10947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05504	10.1
59.04987	0.8
67.05486	1.2
69.03410	3.0
71.04967	1.3
78.99850	0.5
79.05469	1.1
81.07032	4.9
83.04960	5.6
85.02886	6.4
85.06537	0.9
91.05435	4.0
93.07017	5.9
95.08605	2.6
97.06515	2.5
99.04432	8.9
101.05994	14.3
105.07008	24.3
107.08586	8.0
109.06489	3.2
109.10133	0.9
111.08089	2.6
117.06985	0.8
119.04903	3.7
119.08561	15.9
121.06480	4.4
121.10114	3.3
123.08043	3.0
123.11665	3.8
129.06961	0.7
131.08527	5.0
133.06468	2.2
133.10107	16.4
135.08060	0.7
137.05928	1.0
137.09590	1.4
142.07750	7.2
145.10152	0.7
147.08022	3.0
147.11664	26.1
149.09589	1.2
151.07497	0.9
151.11163	23.0
157.10089	19.2
160.08835	2.6
165.09149	0.7
165.12700	11.8
175.11143	100.0
193.12201	53.7
211.13251	80.4
227.55180	0.6
229.14314	14.5
310.36526	0.6
312.41849	0.6
314.51617	0.6
395.91248	0.6
408.22568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63042	0.4
52.97681	0.4
53.03946	0.5
54.12927	0.4
54.25902	0.4
55.01846	0.4
55.05505	12.4
57.07069	0.8
67.05145	0.9
67.05492	24.4
69.03410	4.5
69.07057	8.6
71.04958	2.8
73.20189	0.5
79.05467	3.1
81.03395	0.8
81.07039	20.5
83.04970	21.5
83.08594	2.3
85.02880	3.3
85.06535	1.1
91.05454	3.6
93.07029	9.9
95.04923	2.9
95.08587	65.3
97.02814	1.6
97.06520	2.1
97.10120	0.6
99.04440	3.9
104.62685	0.5
105.07024	3.9
107.08574	9.6
109.06501	3.2
109.10141	25.6
111.08044	3.2
119.08559	17.3
121.10123	4.9
123.08050	3.4
123.11653	5.3
133.10101	12.2
135.11667	6.7
137.09596	100.0
139.11182	0.9
146.82219	0.5
147.11694	3.4
149.13206	0.6
160.88831	0.5
165.16350	0.6
173.13326	0.6
175.14777	24.3
193.15852	50.4
197.14763	0.5
261.86472	0.6
314.89194	0.6
324.32141	0.5
355.21097	0.9
359.69458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32729	0.9
50.57495	1.0
51.01445	1.0
53.03925	1.1
54.03722	1.0
55.01863	2.9
55.05506	18.7
56.05020	3.0
57.03422	5.8
57.03699	1.0
58.99579	1.4
59.04979	2.2
59.80734	1.0
60.99137	2.6
61.02909	1.6
61.80351	1.3
67.05486	6.4
69.03408	8.2
69.07057	8.7
70.79051	1.1
71.04974	5.0
72.08157	1.2
76.02196	2.8
76.03974	1.7
78.01774	10.9
79.05462	7.5
81.03400	1.5
81.07040	33.0
83.04962	9.1
83.08556	1.8
84.04492	20.7
85.02888	13.7
85.04814	1.3
85.06501	2.3
87.02658	1.4
88.98632	4.7
89.02229	1.9
91.05443	8.5
93.07013	20.0
95.04942	4.8
95.08589	19.3
97.02855	2.1
97.06506	9.7
98.09657	5.3
99.04455	8.5
99.08057	2.4
101.06000	14.3
102.05510	2.1
105.07014	53.5
107.08576	34.6
109.06481	7.0
109.10133	5.5
110.09660	1.2
111.08045	2.0
116.01648	4.8
117.02025	1.5
118.01228	10.9
119.04966	1.6
119.08555	41.5
119.41494	1.2
121.06488	5.2
121.10104	12.4
123.04428	1.2
123.08022	7.6
123.11674	6.2
125.09642	1.7
127.03840	1.5
130.04984	3.0
131.08545	5.5
132.06404	2.5
133.06473	5.0
133.10106	32.2
134.10538	1.2
135.08043	1.5
137.05937	5.4
137.09601	2.0
142.07758	12.1
144.01109	1.7
145.04996	1.4
145.10141	2.4
146.00688	1.9
146.07207	1.6
147.04405	1.6
147.08002	6.0
147.11664	49.8
149.09592	2.7
151.07520	2.1
151.09978	1.5
151.11147	27.9
156.08406	1.8
156.10155	5.5
157.06764	1.3
157.10066	21.1
158.08022	6.3
160.08766	2.6
163.02405	1.8
164.01767	6.9
165.12721	26.8
175.11147	100.0
175.14757	5.2
176.08937	2.4
193.12202	90.8
193.15913	5.2
210.11528	1.3
211.13243	80.0
212.06697	1.3
228.15233	1.2
229.14270	4.9
259.11090	4.9
260.11310	2.4
261.10587	21.5
408.16541	1.7
409.10941	7.0
409.18198	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	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
53.43438	0.2
57.03429	4.4
61.02908	1.0
61.18677	0.2
69.03416	2.1
72.28418	0.2
75.04456	1.4
81.03377	1.1
83.04980	1.8
85.02884	8.7
91.05441	0.4
93.03363	0.3
94.04145	1.1
95.04923	0.3
97.02868	2.4
99.04418	0.4
103.03905	0.5
107.04971	0.3
109.02856	1.1
110.03630	1.5
111.04420	1.4
117.84206	0.2
122.02789	0.4
122.03625	6.1
122.04453	0.5
123.04403	0.3
125.05968	7.8
127.03902	1.6
135.07965	0.9
137.05952	100.0
138.06282	0.3
140.04668	7.7
141.34438	0.3
145.04958	0.9
151.07494	0.9
153.80162	0.2
159.06535	0.3
163.06250	0.2
163.07539	1.6
181.08461	0.4
193.08557	1.1
199.09637	1.2
211.09636	11.8
219.08676	0.9
229.10623	6.5
237.09703	0.5
373.15012	2.9
410.59631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01860	5.0
65.03952	0.9
67.05491	1.2
79.05476	6.4
81.07039	3.2
83.45478	0.7
86.27661	0.6
91.05463	52.0
93.07046	3.8
94.04156	1.4
95.04958	4.9
98.74265	0.6
103.05449	17.4
105.03362	11.3
105.07018	12.5
107.04927	6.1
108.05726	0.8
109.06503	12.8
115.05442	3.3
117.06976	1.3
118.04175	1.6
119.04922	73.9
119.08530	0.8
121.06473	5.8
122.03634	6.5
123.08065	5.7
129.06972	1.6
130.04131	3.2
131.04909	26.8
131.05899	1.4
132.05682	0.8
133.02878	1.3
133.06477	15.1
135.04381	3.1
135.08028	1.4
136.05183	1.2
137.05959	100.0
145.06441	1.4
146.03632	0.9
147.04398	33.0
147.08090	3.1
149.05989	10.9
150.06763	1.5
151.03935	2.9
151.07530	25.5
159.08064	5.2
159.57504	0.9
160.05154	2.5
161.05937	26.6
162.06731	18.3
163.07498	7.2
175.07497	19.2
177.08968	0.9
179.07007	17.4
179.08478	1.2
187.07510	9.2
191.08575	3.3
193.08557	6.9
203.08606	1.8
204.10106	1.0
205.08540	10.4
217.08571	0.9
219.08083	5.3
231.08110	1.7
235.09616	1.2
247.07538	3.1
251.10600	3.1
259.07492	1.5
263.10562	1.0
265.08633	1.1
279.09967	5.0
291.10156	3.2
297.10989	0.7
309.11115	12.3
311.12717	5.1
329.13876	4.1
334.23605	1.5
341.13773	4.8
346.16129	0.8
407.92551	0.7
408.27426	3.3
409.14264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
55.77990	0.9
68.62952	1.0
79.42638	0.9
92.63190	1.1
120.48848	1.1
148.33722	1.1
192.60884	1.0
277.85590	1.1
394.79333	1.1
407.23947	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	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52513	1.1
52.70289	1.1
55.05506	1.1
56.96562	1.7
67.05488	1.2
71.36577	1.0
81.00864	1.3
81.07051	2.3
88.43238	1.3
91.05461	2.4
92.08761	1.8
94.76847	1.1
95.04919	1.8
96.23174	1.2
105.06998	2.2
106.76823	1.1
114.33927	1.3
131.08539	1.9
143.08482	1.3
157.10129	1.2
193.96712	1.2
205.45491	1.1
267.09097	1.8
268.09406	2.5
285.10056	6.0
286.10367	6.7
294.13644	1.2
407.23984	100.0
408.24426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29194	0.6
53.41936	0.8
55.05509	4.2
57.07067	8.4
65.03918	1.1
67.05494	0.6
69.06716	1.2
69.07060	22.2
71.08621	9.2
72.42121	0.8
101.12531	0.7
111.11710	1.3
121.02868	5.4
129.12747	1.2
141.41368	0.9
145.23746	0.8
149.02330	100.0
161.21008	0.8
162.58195	1.2
167.03389	6.7
231.92111	0.9
267.64838	0.9
392.31937	0.9
402.11987	0.8
407.30612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2788
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
52.46201	0.8
53.03927	2.0
55.01860	3.6
55.05501	24.7
57.03405	0.9
61.73501	0.8
65.03935	1.4
66.29919	0.8
67.05147	1.9
67.05490	47.8
69.07053	19.6
71.04958	4.9
73.29124	0.7
74.17414	0.9
79.05472	45.5
81.07037	45.6
83.04952	4.7
83.08578	7.0
85.06498	1.5
91.05456	72.8
92.09272	2.0
93.07020	35.9
95.04950	7.3
95.08020	1.3
95.08582	28.4
97.06473	4.1
97.10139	1.6
101.06001	1.1
103.05448	4.5
105.04456	1.3
105.07008	100.0
107.04933	3.7
107.08565	19.3
109.06485	4.6
109.10115	8.1
111.08019	1.6
115.05389	1.6
116.06248	1.1
117.06985	30.6
119.08551	45.4
121.06474	6.1
121.10111	12.0
123.08054	1.6
128.06172	3.6
129.06984	17.7
130.07785	1.2
131.08540	45.9
133.06439	1.9
133.10097	22.7
135.08028	4.1
135.11642	5.1
141.06979	5.0
142.07692	1.3
143.08536	16.9
145.06429	4.0
145.10104	25.2
147.08020	5.9
147.11659	5.6
149.09573	4.3
150.24269	1.0
155.08527	9.3
157.10098	10.3
159.07994	1.8
159.11693	10.7
161.13269	1.4
163.11108	0.9
167.08572	1.3
169.10080	7.6
171.11642	7.4
173.09685	1.2
173.13213	2.0
181.10056	4.8
183.11592	2.1
185.13152	3.9
187.11131	1.1
187.14803	1.7
195.11603	2.1
197.13181	1.4
199.14749	1.2
209.13200	1.5
211.14868	2.2
227.14240	1.3
233.15298	3.3
241.15768	1.1
247.16862	5.0
259.16949	2.0
261.18445	3.9
273.18301	1.1
323.67938	1.0
325.25104	2.1
335.23444	4.2
343.26233	8.0
353.24689	16.9
371.25635	29.9
389.26758	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.05496	11.1
57.03444	1.9
61.02911	4.6
69.03418	9.8
73.02918	1.3
81.03389	2.1
83.04965	100.0
85.02896	18.9
87.05556	1.0
92.79561	1.1
97.02885	8.1
97.29664	1.1
101.06020	1.3
109.02876	1.8
115.76648	1.1
127.03901	5.3
156.18059	1.0
204.31682	1.1
245.10191	11.9
263.45178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2195
Annotation	Zoamide D
Peak:m/z	Relative Intensity
61.92498	9.5
65.16842	10.2
67.05461	11.8
71.60642	10.0
81.07068	38.8
83.67485	12.5
115.53156	11.2
162.03140	14.0
266.13040	11.0
349.93286	11.7
389.22891	15.0
407.22394	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	407.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.9
64.84229	0.6
67.05475	1.1
69.16198	0.6
74.44818	0.6
74.63525	0.5
78.66902	0.6
79.05485	0.7
81.07024	1.1
91.05456	0.6
92.08682	1.0
93.07070	0.6
96.42551	0.6
105.07014	0.9
108.10535	0.6
110.89452	0.5
135.04424	2.9
136.04747	0.7
285.10239	0.8
309.16702	1.3
347.15256	2.3
365.16425	0.7
407.23953	100.0
408.24304	0.9
413.15488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69249	0.9
56.96550	1.4
58.48223	1.2
67.05489	1.8
68.16207	1.0
72.08154	1.3
73.23083	1.3
83.54279	1.2
93.07003	1.8
93.83678	1.2
119.08524	1.3
300.29034	1.7
307.12778	1.1
367.15427	1.9
406.35297	2.8
407.23975	100.0
408.24542	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02404	0.4
66.15883	0.5
67.05530	0.6
68.74815	0.5
70.06607	0.6
75.93302	0.4
107.15231	0.5
115.43807	0.6
150.16847	0.5
294.67230	0.6
300.28879	1.0
407.23987	100.0
407.35413	3.3
408.24377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76524	0.4
67.16280	0.4
68.77845	0.5
96.93099	0.5
102.56812	0.6
131.41472	0.5
189.99364	0.6
317.61801	0.5
407.23972	100.0
408.24326	2.4
431.02750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
79.19993	0.5
81.76246	0.5
84.01913	0.5
96.01865	0.5
132.10159	0.7
135.20038	0.6
190.64461	0.6
277.30859	0.6
295.14905	0.7
319.23087	0.5
407.23947	100.0
408.24228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.112
Annotation	Hoslundin
Peak:m/z	Relative Intensity
68.99786	8.5
74.14058	1.3
87.21219	1.5
91.05461	2.4
92.99744	2.5
93.07030	1.8
97.36847	1.6
103.05537	1.5
105.07018	9.0
114.96268	1.5
119.04924	15.1
121.02844	24.2
121.06494	1.7
123.00772	7.4
124.01570	3.8
131.04910	6.1
133.06468	1.9
137.06021	3.6
139.00267	12.3
145.02829	6.4
152.01094	2.3
153.01796	6.0
154.18286	1.4
163.03885	28.7
168.00543	5.9
170.02025	11.0
183.02956	1.6
186.01591	11.7
187.03874	7.0
231.02882	1.6
242.05672	24.9
245.04344	2.8
257.04367	43.6
269.04437	19.3
270.05170	55.9
273.03857	34.0
285.03955	7.6
286.04694	32.1
361.10846	5.4
363.03925	2.1
363.08557	86.9
389.10144	52.2
407.07584	16.7
407.11600	100.0
407.23349	2.1
413.64050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00761	0.7
55.05497	1.3
57.07066	10.7
57.32656	0.6
58.06581	3.8
61.52214	0.6
67.05495	2.5
69.03356	0.7
69.07059	0.9
70.06575	34.9
71.08616	3.6
72.08133	4.0
74.61079	0.6
74.65482	0.5
76.66004	0.6
79.05471	1.0
81.07039	4.0
81.73679	0.7
83.08602	1.5
84.08134	6.3
85.10176	1.4
86.06094	0.8
86.09695	6.6
88.07600	4.0
89.06017	3.1
90.45926	0.6
91.05473	1.2
93.07012	3.0
95.08538	0.6
96.04507	1.1
102.09164	0.7
104.99438	0.6
105.06990	0.8
109.10126	1.2
114.09158	3.1
132.10179	13.4
135.04405	4.1
139.98740	0.7
146.11751	13.2
176.12772	2.7
190.08589	1.1
190.14421	1.0
212.23753	4.3
238.25252	3.4
256.26285	1.6
259.12057	0.7
273.18781	0.8
300.28918	60.9
314.17517	3.3
332.18555	1.2
344.31531	28.2
358.15457	0.9
360.91925	0.7
371.27927	1.2
378.78485	0.7
406.35202	100.0
407.23959	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	407.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99767	2.6
69.07061	0.2
74.71896	0.2
77.51714	0.2
91.05452	1.8
92.09319	0.3
95.01295	0.4
99.00776	0.3
105.03352	0.4
107.04939	0.3
112.01576	0.5
115.05498	0.4
118.04127	1.0
119.04914	6.8
121.02852	8.3
123.00764	3.2
124.01559	2.8
131.04912	1.3
133.02782	0.3
135.04356	0.3
137.05925	0.5
139.00226	5.1
140.00945	0.3
145.02827	1.6
147.04424	0.6
151.39896	0.2
152.00981	2.0
153.01817	2.4
159.04378	0.3
160.62900	0.2
163.03856	2.6
168.00514	5.4
170.02071	5.0
171.04375	1.4
185.00665	0.3
185.05925	0.4
186.01552	7.1
187.03908	1.0
199.03911	0.5
212.04726	0.3
213.05452	1.2
215.03485	0.5
217.04765	0.3
227.03398	0.4
229.05017	0.4
241.04880	1.5
242.05695	12.7
243.02895	0.5
245.04414	0.9
253.04948	1.1
257.01730	0.5
257.04391	11.6
258.05112	0.3
269.04391	10.7
270.05179	26.5
273.03845	1.4
285.03946	2.7
286.04672	19.0
287.05197	0.9
289.08392	0.4
305.07904	0.5
317.07916	0.3
333.07443	0.5
344.06821	1.1
345.07486	1.0
360.15005	0.3
361.06937	3.4
363.08578	17.8
376.05795	1.1
389.06396	6.1
407.07516	100.0
408.07785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.4
68.98524	0.4
68.99776	1.1
69.07045	0.3
79.05471	0.4
91.05456	0.7
95.04952	0.5
107.04919	1.6
110.67294	0.3
111.04430	0.3
115.05430	0.5
119.04930	1.8
121.02841	21.7
123.41924	0.3
129.03319	0.5
131.04907	2.3
133.02838	0.7
137.05974	0.6
145.02815	3.6
147.04395	1.5
151.03873	7.2
152.89392	0.3
157.02856	1.1
159.04321	0.4
161.02339	3.3
163.03825	1.1
169.02844	1.6
171.04411	4.9
173.02280	2.1
175.03850	3.8
183.00739	1.1
185.02328	1.7
195.04407	1.5
197.02315	4.5
199.03873	2.8
201.01852	1.8
203.03366	4.7
209.02254	2.8
213.05455	0.3
215.03372	1.4
217.04947	10.4
219.03046	0.3
225.01785	2.1
226.02612	1.2
227.03326	21.1
229.01199	3.2
241.05008	1.1
242.05708	0.4
243.02829	5.0
245.04381	0.5
247.02301	1.2
251.03174	0.5
253.01262	22.9
258.01663	1.1
259.06003	2.4
261.03897	10.2
269.04367	3.8
270.05066	0.5
271.02310	16.1
275.01770	0.4
291.06625	1.4
333.07474	1.4
345.07587	0.5
347.05350	1.5
361.07050	1.4
363.08627	1.4
389.06503	15.7
407.07538	100.0
408.07697	1.6
415.62582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01871	1.2
55.05507	8.9
57.03418	7.5
57.07060	3.9
59.04979	1.1
61.02900	2.9
67.05479	3.9
69.03416	10.5
69.07062	8.7
71.04982	8.2
73.02910	0.8
75.04475	1.0
79.05484	4.6
81.03406	2.6
81.07044	12.6
83.04961	5.5
83.08592	6.8
84.04472	1.4
85.02891	24.5
85.06526	4.0
87.04452	4.1
90.81816	0.6
91.05444	5.3
93.07024	13.2
95.04948	80.7
95.08584	11.4
97.02862	6.1
97.06503	19.5
97.10133	2.9
98.97730	0.6
99.03841	1.0
99.04436	12.2
99.08082	8.3
105.07011	20.4
107.08573	17.3
108.22765	0.6
109.02878	1.4
109.06503	29.7
109.10149	11.2
111.08089	5.6
113.09621	0.6
115.07561	1.1
117.06987	0.7
119.08562	13.9
121.06490	1.0
121.10119	36.6
123.08060	7.7
123.11677	13.5
125.09610	4.8
127.03888	2.7
127.07532	3.2
130.07745	0.7
131.08525	10.5
133.10103	48.8
135.08031	7.9
135.11670	6.1
137.09599	3.1
139.11166	13.5
143.08488	0.8
143.10643	3.0
144.09319	0.6
145.04926	1.2
145.10063	5.5
147.11670	44.7
149.09593	9.1
149.13199	5.3
151.11134	5.3
153.09077	33.7
158.10861	2.3
163.14795	4.4
165.12761	9.8
167.10625	11.7
167.14296	3.4
169.08571	0.8
171.10081	9.4
173.13223	21.0
191.14275	25.8
203.22478	0.7
203.42268	0.7
209.15335	74.1
216.47905	0.8
219.63072	0.7
227.16377	100.0
302.70959	0.7
412.10818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61042	0.6
53.03946	0.8
55.01868	1.2
55.05502	8.2
57.03426	2.9
57.07060	1.7
61.02912	3.1
67.05475	3.0
69.03413	7.7
69.07053	16.3
72.11250	0.7
73.02906	1.4
79.05482	7.7
81.03393	1.0
81.07038	14.5
83.04950	4.1
83.08590	1.3
85.02899	19.7
91.05465	16.2
92.08706	1.0
93.07027	24.1
95.04958	1.7
95.08579	12.0
97.02862	6.6
97.06501	1.1
98.90095	0.7
99.04410	1.8
105.07014	77.8
107.04974	1.1
107.08573	40.5
109.02885	1.1
109.06470	3.6
109.10131	3.2
110.77246	0.8
111.08044	1.7
115.03809	0.8
115.05399	0.8
117.06985	5.3
119.08559	91.4
121.06476	1.3
121.10117	21.0
123.08044	3.6
123.11680	7.2
127.03909	4.1
129.07010	1.1
131.08545	44.1
133.10101	29.6
135.08043	6.7
135.11679	6.6
139.11250	1.0
143.08522	3.6
144.09273	1.2
145.04918	1.6
145.10091	17.8
146.10759	0.8
147.11673	100.0
149.09607	9.7
149.13177	5.5
151.11166	6.0
158.10889	5.6
159.11700	1.7
161.13226	72.2
163.11124	0.9
163.14777	12.7
165.12717	9.7
173.13222	39.9
175.14778	19.3
175.16167	1.4
179.14278	11.1
185.13240	0.9
188.27625	0.9
191.10660	1.1
191.14287	35.5
193.15875	4.7
193.31915	0.8
209.15337	24.6
210.62411	0.9
221.15332	1.6
227.16644	1.3
280.29654	0.9
399.03503	0.9
412.04346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.81322	0.4
55.01858	0.5
55.05499	6.5
55.93403	0.5
56.96542	0.5
57.03409	1.9
57.07047	0.5
59.04987	0.5
61.02899	2.6
67.02792	0.5
67.05483	2.8
67.41914	0.4
69.03412	4.8
69.07057	9.1
71.04613	0.5
71.04979	9.1
72.33304	0.4
73.02892	0.7
79.05482	3.8
79.90456	0.4
80.56580	0.4
81.03391	1.9
81.07040	8.3
83.04951	1.6
83.08575	0.8
85.02892	16.8
85.06528	0.6
87.04427	0.9
91.03924	0.5
91.05461	14.7
93.07024	16.1
93.07570	0.6
93.75721	0.4
95.04948	2.1
95.08575	8.4
97.02872	4.2
97.06531	0.8
98.97561	5.0
99.04411	4.1
103.05483	0.6
105.07015	54.4
107.04942	0.9
107.08574	19.6
108.12441	0.4
109.02852	2.3
109.06503	2.8
109.10123	3.7
116.98596	1.8
117.05457	0.5
117.06976	3.9
119.08556	60.1
120.08897	0.4
121.06467	2.4
121.10121	12.3
123.08018	4.9
123.11633	3.5
127.03879	2.8
129.07025	1.0
129.75142	0.5
130.07750	0.8
131.08546	26.2
131.36630	0.5
133.06473	3.0
133.10104	22.1
135.08011	3.9
135.11655	4.8
137.05957	8.5
137.09607	2.0
143.08565	2.0
144.09306	0.8
145.04961	2.3
145.10104	20.0
147.11668	100.0
149.05927	0.5
149.09593	2.7
149.11279	0.5
149.13248	5.2
150.06755	1.0
151.11182	0.8
151.14861	0.5
158.10881	3.2
158.99625	0.6
159.11673	1.8
161.13219	33.1
163.07437	0.7
163.11142	5.4
163.14783	3.4
165.09070	2.6
165.12727	8.5
167.10612	0.8
173.09650	0.5
173.13223	21.1
175.14789	23.8
175.65106	0.4
177.00682	1.0
179.14255	4.0
181.08549	2.8
191.10637	9.1
191.14279	28.4
193.15836	5.9
209.11697	3.6
209.15292	7.6
227.12801	6.2
227.16394	4.4
259.11133	0.6
283.46030	0.5
323.11542	1.9
324.07306	0.5
326.83612	0.5
406.17157	0.5
425.14078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.05512	9.9
55.86344	0.8
57.03432	1.1
57.07055	1.9
61.02898	1.4
64.32791	0.8
64.98879	0.8
67.05482	2.2
69.03407	8.2
69.07062	14.0
79.05466	6.1
80.16057	1.1
81.03421	1.3
81.07043	12.3
83.04945	1.9
83.08570	1.7
85.02882	14.7
91.03965	1.6
91.05456	16.3
93.07026	18.2
95.08586	11.7
97.02888	4.3
104.37842	0.9
105.07013	74.0
107.08575	36.5
109.06483	4.0
109.10146	2.4
117.07024	8.6
119.08560	100.0
121.06458	3.8
121.10128	19.2
123.08072	1.4
123.11659	4.0
127.03790	1.1
129.06966	1.2
131.08534	42.7
133.10107	35.9
135.08034	8.6
135.11688	5.9
137.09599	1.2
141.27087	1.3
143.08563	3.8
145.10085	11.8
147.11671	98.8
149.09584	4.0
149.13249	6.5
151.36128	1.2
158.10876	6.4
159.11745	1.2
161.13228	84.4
163.14761	9.5
165.12741	9.6
167.07092	1.1
173.13222	35.0
175.14789	19.1
179.14262	12.8
184.26108	1.0
191.14281	34.8
193.15854	4.1
209.15323	24.0
221.15430	4.1
404.21613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83907	0.3
53.03930	0.6
55.01858	0.7
55.05505	9.6
57.03433	2.6
57.07064	0.5
59.04993	0.6
61.02906	0.7
65.03937	0.4
67.05502	3.8
69.03413	4.1
69.07051	4.1
71.04984	6.4
73.02896	0.4
75.94540	0.3
76.02206	0.6
79.05468	2.7
81.03398	2.1
81.07046	7.3
83.04964	5.9
83.08606	6.4
84.04481	1.7
85.02888	8.9
85.06526	1.6
87.04454	0.4
91.05469	5.0
91.60530	0.4
93.07017	7.7
95.04949	100.0
95.08582	4.9
97.02863	2.8
97.06529	3.8
97.10170	0.8
98.09675	0.7
99.04440	16.4
99.08050	0.5
101.02391	0.4
105.07013	8.5
107.08573	11.2
109.02888	0.4
109.06496	3.9
109.10147	5.6
111.08061	3.6
113.04230	0.6
115.07549	0.5
116.01668	2.0
117.06976	2.2
119.08563	7.5
121.06515	1.5
121.10110	5.5
123.08045	0.6
123.11707	1.5
125.09614	0.7
127.03903	1.9
130.04890	0.4
131.08537	8.8
133.10117	11.5
135.04346	0.4
135.08069	2.7
135.11703	0.4
137.05899	1.3
137.09566	0.6
143.08580	0.8
144.01111	0.4
144.09381	0.5
145.03815	0.3
145.04959	1.5
145.10110	8.3
147.11662	5.3
149.09624	0.5
149.13269	2.0
151.11143	5.5
153.09087	20.4
157.06787	0.4
158.10913	2.2
160.02892	0.5
161.13254	0.6
162.02206	0.6
163.07433	0.4
163.11111	0.6
163.14799	2.7
167.07071	1.4
167.14261	5.7
171.58582	0.4
173.13214	12.7
175.14809	3.6
191.10680	2.3
191.14273	10.3
193.15862	0.5
209.15338	36.9
227.16393	0.8
259.11169	2.5
324.08032	0.5
406.15796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
55.05500	1.2
57.03422	1.0
59.28635	0.6
67.05486	0.8
69.03416	2.9
70.06583	0.6
71.04976	13.1
73.02867	0.9
77.45905	0.6
77.79851	0.6
78.01807	0.6
79.05472	3.0
81.03388	0.9
81.07026	0.8
84.04479	0.8
85.02883	9.2
91.05449	2.7
93.07018	3.9
95.04964	1.5
97.02851	1.1
97.06455	0.8
99.04433	55.8
101.02374	3.5
105.06372	0.9
105.07018	19.3
107.04928	2.9
107.08587	8.0
109.02840	0.9
109.06493	1.7
109.10143	6.5
117.07010	3.9
117.39894	0.6
119.08528	2.9
121.06500	1.3
121.10157	4.8
127.03819	1.0
129.06958	0.7
130.07733	1.1
131.08537	47.8
133.06445	9.0
135.08034	2.6
135.11700	1.2
137.05966	0.9
145.10100	50.3
147.04405	0.9
147.08046	1.5
147.11633	3.1
149.05925	3.2
149.09599	57.8
154.24605	0.8
155.08551	0.9
158.07173	1.0
163.11160	9.8
165.44531	0.7
173.09569	23.3
185.06732	0.7
191.10632	100.0
209.11699	17.3
210.04950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
56.96557	15.1
67.05481	2.3
70.86013	1.2
71.95264	1.5
79.05468	1.4
81.07043	2.6
91.05429	1.2
93.07011	1.4
97.96786	51.5
99.38468	1.3
105.07009	2.0
110.97561	1.9
115.97012	2.0
115.97816	36.3
127.00597	1.4
127.73829	1.2
128.98602	6.6
133.98865	19.9
146.99677	2.3
155.00177	5.5
157.76604	1.3
173.01129	11.5
173.04985	1.5
185.98454	1.8
187.02652	2.1
211.02826	2.1
216.03117	2.0
218.11806	6.4
221.08548	1.4
227.09583	1.9
239.09523	12.5
250.08650	17.5
255.08989	6.5
257.10611	5.1
267.08878	2.0
268.09781	100.0
269.10449	14.7
270.11411	2.1
273.09979	2.0
282.07776	7.6
285.10010	5.8
286.10849	72.1
287.11658	7.1
291.11453	3.1
300.08881	2.7
319.15689	21.7
337.16812	32.8
347.15399	6.3
365.16232	10.7
380.94608	1.3
383.17346	39.5
401.18335	6.1
406.18533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.1
55.01858	13.2
55.05490	6.6
57.03416	1.9
61.02902	12.6
62.06057	1.2
67.05486	15.6
69.03407	1.7
69.07049	9.2
71.36687	1.3
76.82103	1.4
79.05469	19.9
81.03394	37.7
81.07029	19.7
82.07328	1.4
83.04965	6.3
83.08604	5.7
85.02881	2.6
91.03910	2.2
91.05462	23.5
93.07024	23.6
94.06544	29.0
95.01283	2.9
95.04937	18.4
95.08587	18.0
97.06518	8.2
103.05449	2.9
104.04988	2.2
105.06985	12.2
107.04943	12.1
107.08565	9.9
109.06479	7.0
109.10154	2.3
111.08039	1.8
116.72378	1.5
117.06998	8.3
118.06516	59.6
119.04920	5.6
119.07301	39.9
119.08533	13.3
120.08072	7.7
121.02802	1.7
121.06494	16.4
121.10104	5.5
122.05997	48.6
123.07997	3.2
124.07547	20.9
125.02356	10.0
125.03114	1.6
125.65840	1.3
126.09166	1.8
129.06967	7.9
131.04956	2.7
131.08533	10.6
133.06531	5.0
133.10114	7.3
133.43697	1.5
135.04407	6.7
135.08028	9.2
135.11681	3.1
136.07523	1.8
137.05946	13.3
138.09111	100.0
139.03850	2.2
143.08545	3.3
145.06429	1.8
145.10080	8.9
146.05989	78.8
147.04376	6.2
147.06795	38.8
147.07985	5.7
147.11687	5.7
148.07544	65.0
149.05919	5.3
149.13239	2.4
157.10042	1.7
159.11621	3.5
161.05890	3.2
161.09558	1.7
161.13202	3.5
163.03804	2.2
163.07512	7.6
163.11171	5.6
167.07085	1.6
171.11594	9.9
175.11230	1.8
177.05460	1.7
177.12738	9.0
189.12740	6.8
191.10599	1.8
195.13766	2.2
201.12640	2.1
205.12204	6.6
207.13785	34.6
217.12144	1.6
225.14911	1.5
233.15446	1.9
243.13766	3.3
253.12241	1.6
259.14108	1.9
261.14716	10.9
269.13901	2.3
289.14328	29.2
299.12500	1.6
307.15353	36.0
311.39810	1.8
325.16339	25.0
335.14828	62.5
353.15897	26.5
371.16953	16.6
406.21198	19.6
407.07471	2.4
424.22040	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01861	6.5
55.05502	2.0
56.05021	12.9
57.03421	7.9
58.99575	16.5
61.01130	1.3
62.62791	0.8
68.05000	1.6
69.07060	2.3
73.01125	3.7
74.00648	4.2
76.01784	1.6
76.02209	33.6
76.03992	2.4
79.05470	6.8
81.06547	1.2
81.07030	33.2
83.06079	1.8
84.04486	55.9
85.01112	5.9
86.00623	8.9
86.99027	11.7
87.02665	10.5
88.02183	2.4
93.07002	1.3
94.06556	1.2
95.08588	7.6
96.08060	1.0
97.01122	2.3
97.06496	1.6
98.09669	20.5
99.05548	1.4
99.08077	4.9
101.00608	1.8
102.05516	8.5
105.07005	4.1
108.08047	0.9
109.84444	1.1
110.09643	4.4
112.03951	5.1
113.04210	10.7
115.05773	4.5
116.01655	46.1
116.02492	1.6
122.09618	4.6
123.08057	1.6
129.06590	4.8
130.04976	11.7
130.06848	10.0
130.08572	2.3
139.05742	2.1
142.03238	5.0
143.02756	1.5
144.01122	13.8
145.06021	1.7
145.10126	1.5
156.08405	26.9
156.10168	20.3
157.06770	13.5
162.02165	29.9
165.90739	1.1
170.02669	1.5
174.09435	10.0
179.04817	7.4
189.03227	1.6
191.10635	1.8
210.11137	1.3
216.06792	7.5
226.27820	1.0
259.11050	100.0
285.12680	2.1
313.12094	4.0
331.13065	5.0
388.15417	2.0
406.16415	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	406.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42438	0.7
55.05531	0.8
56.96559	32.0
69.07066	1.4
71.95233	1.7
79.05483	1.0
81.07034	1.6
83.74081	0.7
91.05448	0.8
92.08707	1.8
93.07017	1.6
95.08642	0.9
107.08604	1.1
107.92567	0.9
115.00739	1.1
123.01208	1.0
128.98584	1.9
129.02214	1.0
132.81238	0.8
133.01703	1.4
137.05989	1.2
146.99622	6.1
147.03294	7.7
155.03781	3.2
157.01738	0.9
159.03276	1.4
165.73100	0.9
167.64085	0.8
171.03307	3.6
173.04816	8.3
181.05357	1.0
185.04871	1.6
187.06303	0.9
189.04352	5.6
191.05937	4.2
197.04749	0.9
199.06384	6.4
201.07980	2.0
201.99605	0.9
203.05904	5.0
204.02940	0.9
215.87325	0.8
217.07439	6.4
219.09050	3.4
225.07973	1.7
227.05650	1.0
228.43025	0.8
229.07315	1.2
229.11084	1.1
231.09079	1.9
237.07819	7.7
239.09578	3.9
243.09032	6.6
245.07076	0.9
255.08984	100.0
256.09628	1.3
257.10580	5.6
258.61780	0.8
261.10126	4.9
265.07449	2.0
267.08981	3.5
269.10529	1.1
271.19058	1.1
273.10037	71.8
278.10596	1.4
283.08496	4.9
285.10156	4.4
287.72183	0.9
295.08572	1.6
301.09351	2.7
313.09604	1.4
329.14233	4.8
347.15213	16.0
365.16299	40.4
383.17383	28.9
406.19040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09205	1.1
53.00295	1.7
53.03941	7.3
55.01860	7.3
55.05503	56.8
55.83262	1.3
57.03423	3.6
57.07051	1.6
57.09817	1.4
59.05000	1.7
63.24283	1.5
63.66534	1.5
65.03907	2.9
65.92370	1.3
67.05141	2.4
67.05492	64.7
69.07050	44.1
71.04975	10.5
72.37830	1.5
79.05472	69.8
81.03402	1.9
81.06538	1.9
81.07035	76.7
83.04971	6.2
83.08597	34.7
85.06533	7.2
91.05456	99.7
92.08640	3.1
93.07020	72.0
95.04929	12.8
95.08577	44.9
97.06501	12.7
97.10130	8.1
103.05440	2.5
105.04472	2.5
105.07009	72.9
107.04939	8.5
107.08582	24.0
109.06500	8.9
109.10116	10.3
111.08067	7.7
113.05965	1.6
115.05409	7.4
116.06216	1.9
117.06994	61.5
119.04951	1.7
119.08549	37.9
121.06498	9.6
121.10127	14.3
123.08029	2.4
125.09618	3.3
128.06186	15.3
129.06970	65.0
130.07759	2.0
131.08537	100.0
133.06461	12.2
133.10100	18.9
135.08031	7.9
135.11682	8.6
137.05960	1.9
137.09581	3.0
139.11154	2.6
141.06950	17.9
142.07773	8.3
143.08549	49.6
145.06487	7.7
145.10088	32.8
147.08029	9.1
147.11679	7.2
149.09619	7.8
149.13150	2.1
153.06949	3.4
154.07767	3.2
155.08542	36.1
157.06520	3.1
157.10114	22.9
159.08028	6.9
159.11661	13.1
163.11107	2.3
165.06967	5.6
166.07750	3.5
167.08539	15.6
169.10101	13.8
171.08034	6.2
171.11626	13.0
173.09622	2.5
173.13208	3.3
175.09642	4.9
175.11061	2.8
177.12688	3.2
179.08487	7.3
180.09319	2.8
181.10115	14.7
183.08057	1.6
183.11649	10.6
185.09740	1.9
185.13239	8.0
187.11093	1.9
193.10115	6.4
195.11681	15.1
197.13199	6.6
197.16945	1.8
199.14799	2.3
207.11690	6.8
209.13269	10.4
211.11174	2.6
211.14813	6.8
221.13234	9.7
223.14812	14.0
225.12738	1.9
227.14279	1.8
231.17563	1.6
233.15265	8.3
235.14839	2.8
237.16313	1.5
239.14220	8.4
241.15753	2.5
247.16914	1.9
249.16237	2.2
249.18556	2.1
253.15805	2.9
257.15277	3.4
259.16873	1.9
267.17392	2.0
271.16791	3.1
273.18549	1.6
275.16245	2.1
285.18268	2.9
298.45511	1.6
323.23694	3.4
333.22043	16.0
341.24521	5.8
351.23175	35.8
369.24127	24.5
377.26471	2.2
387.25272	37.6
405.26483	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	405.2243
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
67.05450	0.4
71.01126	0.5
76.26969	0.5
80.24020	0.4
81.07013	0.6
92.09325	0.5
95.08582	0.5
115.20372	0.4
129.09070	0.4
169.04720	0.6
268.65088	0.5
307.15158	0.7
387.21320	32.6
400.08499	0.4
405.22382	100.0
406.22769	0.6
406.41824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.0
55.05522	0.8
57.03417	1.3
61.02916	1.3
67.05489	1.8
69.03413	2.0
71.04992	1.6
79.05479	1.4
81.07016	1.8
81.97205	0.9
83.04951	2.1
85.02879	5.3
91.05466	1.7
93.07048	1.9
95.08578	4.4
97.06480	1.4
99.49550	0.9
105.06997	1.3
107.08559	2.1
108.08105	2.0
109.06480	1.5
113.53894	0.9
119.08555	4.2
121.06473	1.0
121.10118	6.6
123.08048	89.0
124.08390	19.3
133.10100	1.2
137.05962	1.6
137.09656	1.0
145.04910	1.0
147.11623	1.9
149.09633	1.8
151.11172	4.6
162.10052	0.9
163.11113	0.9
167.10608	2.1
168.08078	1.6
168.10934	0.9
170.09665	1.1
181.12248	1.8
182.12338	1.0
183.09160	4.3
184.07581	1.5
189.10199	2.1
197.07066	25.7
198.07724	1.9
198.09280	3.2
199.08658	7.6
200.10710	1.6
207.13866	0.9
208.07613	1.0
210.07735	3.9
211.08650	22.9
212.09506	1.3
213.10225	2.1
223.08737	0.9
225.06566	33.7
225.10048	17.7
225.14738	9.9
226.06953	2.4
226.08871	1.6
226.15154	5.1
227.08051	6.5
227.11679	3.1
228.10060	2.0
229.09566	1.4
235.08603	1.6
237.10236	1.1
238.07149	1.4
239.04422	5.4
239.08104	58.1
240.08791	4.2
241.09756	3.2
243.07552	5.7
243.11214	1.0
245.12811	29.4
253.05991	3.4
253.09673	29.2
254.10406	1.5
255.07593	5.4
255.11252	5.0
257.05627	6.5
257.09149	16.3
263.08118	1.4
265.09460	1.1
267.07599	30.3
269.09149	1.6
271.07510	1.7
271.10727	13.7
273.08569	3.4
273.12088	0.9
281.09134	30.1
285.08698	9.1
286.09366	1.2
289.11734	6.2
293.09146	4.6
297.08636	2.1
299.06897	3.1
299.10208	47.9
301.12054	1.5
309.08667	37.6
311.10104	4.8
317.11176	4.4
327.09692	70.1
328.09732	1.0
329.11426	6.3
337.08017	4.4
345.06467	2.1
345.10757	87.6
355.09302	10.0
373.10251	100.0
374.10492	1.3
387.11710	5.7
405.08069	1.4
405.12875	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	405.0967
Annotation	Cnidimonal
Peak:m/z	Relative Intensity
68.99753	1.8
69.93748	0.2
72.03709	0.2
77.19036	0.2
81.06995	0.2
91.05427	0.6
94.61909	0.2
103.05431	0.3
105.03333	0.4
105.06971	0.2
108.22240	0.2
118.04113	0.9
119.04151	0.3
119.04918	4.8
121.02840	5.4
123.00733	1.6
124.01525	2.0
131.04877	1.0
139.00237	4.1
145.02776	1.4
152.00983	1.6
153.01802	2.2
155.04735	0.3
165.06989	0.3
168.00517	3.9
170.02066	4.3
171.04330	0.3
186.01599	3.4
186.06711	0.3
187.03848	0.3
199.03845	1.1
209.00500	0.2
227.03290	0.6
229.04814	0.3
241.04932	1.5
242.05713	10.3
245.04538	1.8
245.06686	0.3
253.04953	0.5
257.04401	13.5
258.05164	0.6
262.77704	0.3
269.04373	9.3
270.05188	31.8
285.03873	2.3
286.04666	17.5
287.05475	0.6
317.08044	0.5
345.07416	1.8
363.08572	57.4
364.08716	0.4
405.09625	100.0
406.10062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0965
Annotation	Cnidimonal
Peak:m/z	Relative Intensity
65.03923	1.2
67.05493	0.2
68.99783	1.8
85.73438	0.2
91.05472	0.4
95.04943	0.3
103.05417	0.5
104.63396	0.2
107.04936	3.8
108.66031	0.2
111.04428	1.2
115.05396	0.3
115.60219	0.2
119.04905	2.4
121.02844	28.5
121.06451	0.5
122.34392	0.2
130.85046	0.2
131.04918	3.5
143.17258	0.2
145.02811	2.9
145.06483	0.3
147.04407	1.2
149.04778	0.3
149.05960	8.3
155.04889	0.2
157.02843	0.4
158.03601	0.3
159.04367	1.8
163.03914	2.4
170.03737	0.2
171.04395	3.1
173.05984	2.1
175.03854	0.2
177.05482	0.2
185.02342	0.3
187.03857	0.3
195.43979	0.2
199.03819	1.1
201.05415	2.0
203.03406	1.0
213.05443	0.8
217.04941	0.3
221.04405	1.4
225.05287	0.4
227.03343	10.0
242.05701	3.0
243.06459	0.5
245.04385	3.6
265.08551	0.3
269.04434	0.4
270.05188	1.3
271.92523	0.2
287.05411	1.0
289.08707	0.2
293.08121	0.4
305.08090	0.7
321.07504	3.1
334.08179	0.3
335.09039	1.7
345.07468	4.0
363.08557	21.2
394.06635	0.2
405.09613	100.0
406.09842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72500	1.2
53.00298	3.5
55.01863	3.3
55.05501	22.8
57.03427	17.2
57.07070	34.9
67.05491	39.2
69.03403	1.8
69.07056	17.8
71.08602	2.2
77.51430	1.7
79.05470	28.9
81.03397	10.9
81.07037	44.1
83.04976	11.6
83.08612	11.3
84.08166	1.7
85.06522	1.9
85.10162	75.5
91.05453	31.0
93.07011	26.8
95.04954	19.0
95.08584	36.4
97.06535	3.9
97.10167	4.1
99.08064	3.7
105.07024	23.5
107.04936	19.9
107.08598	15.3
109.06474	2.6
109.10146	13.0
111.08056	3.5
113.09618	51.8
117.07015	3.6
117.19485	1.8
119.08542	14.7
121.06538	2.7
121.10139	11.0
123.08042	12.0
127.03918	1.8
129.06963	4.0
131.08525	8.6
133.10106	9.8
135.11641	4.1
142.65065	1.8
143.08521	3.4
147.11700	14.6
149.09627	23.4
149.13293	1.9
149.84106	2.0
151.11093	3.7
159.21613	2.0
161.13249	3.4
163.11150	3.8
165.12714	75.3
171.11652	3.9
175.11061	4.2
179.14308	7.8
181.12224	2.2
187.13200	2.2
193.15761	1.9
259.20563	7.0
274.68430	1.9
277.21524	40.1
295.22632	20.7
345.48267	3.0
351.25238	61.2
369.21689	3.3
369.26294	100.0
421.97348	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	1.6
55.01861	47.4
55.05267	3.3
55.05506	52.2
57.03419	11.5
57.07066	13.8
60.49232	1.5
63.07708	1.6
63.08616	1.7
65.63660	1.7
67.05489	62.6
69.03415	3.5
69.07056	25.5
71.04962	2.6
71.08611	38.0
73.99963	1.6
79.05468	39.7
81.03383	4.4
81.07040	76.7
83.04971	27.7
83.08604	39.9
84.93803	1.8
85.06538	3.5
85.10179	17.8
91.05466	42.5
92.64085	2.1
93.07019	48.6
95.04961	19.2
95.08588	46.6
97.06521	25.6
97.10167	4.4
99.08065	19.5
105.07016	40.5
107.04925	10.9
107.08590	31.1
109.06504	10.9
109.10144	21.0
111.08054	49.3
113.09637	15.8
119.08561	25.2
121.10104	24.5
123.08054	11.1
123.11704	9.5
126.48962	1.9
129.06950	7.1
131.08533	9.4
133.10091	30.9
135.11662	13.0
137.09596	3.4
139.11172	9.3
143.08524	2.0
145.04968	2.4
145.10088	2.7
147.11682	26.9
149.09581	7.9
149.13232	13.0
151.11185	17.4
153.12738	8.7
157.10091	4.6
159.11650	2.6
161.13225	15.3
163.11160	4.5
165.12715	35.0
175.11156	9.1
175.14760	4.0
177.12650	2.2
179.14288	11.3
189.12538	2.1
202.63295	1.8
231.20859	2.5
241.19382	2.6
249.22183	4.0
259.20590	2.9
277.21548	81.9
295.22690	28.9
310.09671	2.7
351.25226	100.0
369.26334	91.6
404.30179	2.8
421.16962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.2
53.03929	1.7
54.04544	0.8
54.81482	0.8
55.01865	34.3
55.05234	1.4
55.05504	39.4
57.03430	12.2
57.07061	10.7
58.90282	0.9
59.05006	1.2
61.18521	0.9
67.05490	43.0
69.03419	1.4
69.07051	18.4
71.04976	4.5
71.08612	29.7
72.84965	1.1
76.55946	1.2
79.05474	28.8
80.92052	1.1
81.03410	5.0
81.07036	60.7
82.89959	0.9
83.04969	14.2
83.08598	35.8
85.06534	5.2
85.10160	13.8
86.58143	1.0
88.49201	1.0
91.05455	35.0
93.07021	35.3
93.07574	1.9
95.04953	13.5
95.08584	39.9
97.06502	14.7
97.10159	5.8
99.08069	13.2
100.99407	1.0
105.07009	24.4
106.25941	0.9
107.04971	4.3
107.08575	21.6
109.06493	9.7
109.10133	15.1
111.04393	1.0
111.08053	33.7
113.09640	13.2
116.98641	1.0
117.07011	1.8
119.08544	21.7
121.10110	14.7
123.08044	5.7
123.11678	6.7
125.09606	2.0
129.07001	3.9
131.08571	4.9
133.10100	18.7
135.11653	8.9
137.09596	2.4
137.13278	1.7
138.63792	1.1
139.11188	5.8
143.08556	4.0
145.10060	4.0
147.11668	19.6
149.09579	8.1
149.13234	10.1
151.11172	9.6
153.12785	4.4
157.10118	6.4
159.11685	1.9
161.13216	7.9
163.11177	7.4
165.12712	25.9
171.11674	4.2
175.11113	4.5
175.14816	2.0
179.14229	9.0
185.13243	1.5
189.12640	1.2
189.16351	1.4
193.16093	1.4
231.20963	1.7
241.19489	1.7
249.22096	7.4
259.20541	7.1
277.21558	50.4
295.22610	14.0
351.25211	64.2
369.26270	100.0
422.04904	1.1
426.64047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
54.81594	1.1
55.01857	5.5
55.05506	34.2
56.96547	1.2
57.03429	31.3
57.07069	2.6
60.47790	1.0
61.30629	1.0
65.03931	2.1
67.05493	77.1
69.03412	1.6
69.07053	28.8
71.04975	4.6
71.08617	21.3
79.05478	52.3
81.03391	4.7
81.07041	100.0
83.04965	16.9
83.08611	25.3
85.06545	2.7
91.05462	39.4
92.08746	1.3
93.07026	75.4
95.04945	16.6
95.08585	40.1
97.06499	13.8
97.10148	8.0
99.08059	12.4
105.07018	21.8
107.08566	37.7
109.06495	2.4
109.10156	7.9
111.08084	5.9
113.67622	1.3
117.06982	13.9
119.08562	12.0
121.06445	2.0
121.10114	10.9
123.08031	2.2
123.11697	2.5
125.09611	5.1
129.06993	1.6
131.08562	16.9
133.10104	18.8
135.08032	1.7
135.11671	10.5
139.11168	5.0
145.10092	2.6
147.11681	7.2
149.13248	21.3
151.11179	14.4
157.10162	2.4
159.11650	19.8
161.13196	8.6
163.11098	8.8
171.11612	1.6
173.11777	2.4
173.13200	1.5
175.14760	2.0
177.12727	21.1
179.14317	5.7
195.13802	9.2
217.43694	1.2
227.12819	2.4
241.19530	1.8
251.16376	1.6
259.20578	5.5
263.16324	1.3
269.17435	77.3
277.21649	11.1
351.25269	24.3
369.26422	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
53.77303	0.4
53.89127	0.3
55.05501	2.1
57.03411	0.6
57.07067	3.3
61.02896	0.7
67.05497	4.4
69.03407	4.5
69.07044	0.6
71.04975	0.8
72.18105	0.4
75.03476	0.4
78.44208	0.4
79.05471	2.1
81.03390	1.9
81.07036	25.2
83.04953	0.5
83.08572	0.5
85.02889	100.0
91.05470	8.2
93.07021	3.6
95.04932	0.9
95.08579	7.3
97.02870	2.6
97.06513	0.6
100.61293	0.4
101.75421	0.5
103.05535	0.5
105.07001	9.6
107.08576	6.8
109.02892	0.5
109.06511	3.6
109.10146	11.0
117.06997	0.9
119.04918	6.7
119.08559	10.1
121.06473	0.6
121.10120	7.6
123.08057	2.4
123.11681	84.4
125.05945	6.0
125.09571	0.8
127.03962	0.7
129.06915	0.5
131.08539	1.9
133.06502	2.3
137.09602	0.7
139.07544	0.8
141.05455	1.1
145.10100	5.1
147.04381	7.1
147.08014	2.7
147.11678	14.6
149.02333	0.5
149.09592	7.2
151.07518	4.0
156.09334	2.0
159.08057	0.6
160.63106	0.4
161.13281	1.0
163.11122	0.6
164.04678	0.5
165.12679	1.0
171.11691	1.0
174.10411	0.9
175.03883	10.7
179.14244	0.7
189.12700	13.4
192.04205	3.7
207.06494	23.2
207.13759	37.1
225.07532	6.0
225.14816	13.8
273.63589	0.5
370.46228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
53.60313	2.3
55.01869	5.4
55.05507	58.8
57.03434	29.8
57.04503	3.1
57.07060	2.4
64.35239	2.3
67.05493	76.1
68.40889	2.4
69.03403	3.1
69.07063	25.5
71.04984	4.0
71.08618	41.2
79.05473	53.8
81.03392	10.8
81.07042	100.0
83.04962	21.0
83.08611	28.8
85.06516	3.6
91.05452	34.1
91.12199	2.7
93.07029	70.7
95.04943	16.6
95.08583	41.1
97.06525	10.4
97.10155	30.3
99.08080	30.5
105.07017	25.6
107.08576	38.1
109.06462	2.7
109.10135	13.9
111.08031	3.8
117.06998	12.5
119.08585	15.8
121.10141	16.2
123.11787	3.4
125.09624	19.3
129.07008	4.5
131.08586	11.8
133.10101	22.0
134.27893	2.7
135.11681	5.8
145.10117	3.6
147.11668	4.5
149.09552	2.6
149.13264	6.1
151.11180	28.7
157.10124	2.7
159.11662	10.0
161.13205	11.0
163.11115	9.8
173.11705	10.6
175.14738	3.8
177.12740	11.3
179.14368	5.4
189.11238	10.8
227.12741	12.3
241.19408	3.0
245.13724	3.7
259.20612	4.4
269.17462	51.9
277.21634	31.9
295.22864	9.1
351.25192	56.8
369.26328	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01858	1.1
55.05486	0.4
56.75988	0.2
57.03424	0.8
60.39192	0.1
61.02906	0.9
63.45920	0.2
67.05501	1.4
69.03414	1.7
69.07072	0.2
71.04966	0.9
72.08131	0.3
73.02892	0.4
73.21550	0.2
79.05452	1.3
81.03402	1.4
81.07020	0.8
83.04972	3.2
85.02890	5.6
87.04429	0.3
88.18167	0.2
91.05450	0.9
93.07035	1.9
95.04940	1.2
95.08587	3.4
97.02879	2.0
97.06514	1.9
99.04422	0.4
99.08065	0.4
105.07024	1.6
107.04878	0.2
107.08588	2.2
107.54229	0.2
109.02876	0.9
109.06509	1.9
109.10153	0.2
111.04443	0.9
111.08081	0.4
118.76018	0.2
119.08566	2.9
121.06474	1.0
121.10123	6.1
123.08047	100.0
124.08395	0.3
125.05930	0.2
125.09620	0.4
127.03877	0.3
133.10104	2.2
135.11700	1.6
137.05963	0.4
137.09570	1.0
137.13292	0.2
143.08594	0.2
145.10130	1.2
147.04350	0.3
147.08041	0.3
147.11674	1.0
149.09619	2.8
151.07509	0.2
151.11150	4.8
153.71292	0.2
161.09601	0.9
161.13234	0.8
163.11188	1.9
165.12727	0.2
167.10643	4.0
175.07516	0.3
179.10551	0.3
181.12195	4.9
189.12715	1.1
197.07095	1.1
207.10442	0.2
207.13774	3.9
211.08617	1.1
225.06531	1.5
225.10162	0.4
225.14828	15.4
229.02112	0.3
239.04483	0.3
239.08130	2.4
245.12770	1.6
253.09785	1.6
257.05701	0.3
257.09106	0.4
267.07648	1.3
271.10730	0.8
281.09174	0.8
285.08597	1.1
289.14435	0.5
299.10190	2.9
307.15414	0.4
309.08856	1.7
327.09698	3.8
333.13339	0.8
337.08322	0.3
345.10751	4.7
351.14279	0.8
369.15289	0.3
373.10223	5.0
405.12863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01869	5.9
55.05511	5.0
56.75460	0.4
57.03417	0.6
67.05493	6.8
68.99808	0.6
69.03410	1.2
69.07050	2.7
71.04967	1.1
79.05477	7.6
81.03399	3.5
81.07036	7.7
82.06574	0.5
83.01310	0.8
83.04984	0.9
83.08595	1.3
91.05450	9.8
91.86766	0.6
93.03375	1.1
93.07024	5.0
95.01305	2.7
95.04942	2.7
95.08593	2.6
97.02858	0.9
97.06478	1.1
97.10159	1.1
103.05455	1.3
105.03391	2.1
105.07003	6.6
107.04948	4.8
107.08576	3.6
109.02850	2.6
109.06502	0.7
109.10157	0.9
113.02318	0.6
114.09182	0.6
115.05444	1.3
117.07016	5.3
119.04942	2.8
119.08575	3.0
121.02859	1.1
121.06480	2.4
121.10061	0.7
123.04392	2.8
125.02339	1.1
128.06189	0.8
129.06978	5.3
131.04930	3.7
131.08574	3.8
131.40016	0.7
133.02859	0.8
133.06480	3.6
133.10101	3.0
135.04390	2.9
135.08037	2.3
137.05972	2.3
139.03906	0.8
141.06985	2.4
142.07831	0.8
143.08549	3.1
145.06473	5.0
145.10135	2.3
147.04445	4.3
147.08005	1.2
147.11719	0.7
149.02338	3.4
149.05959	1.1
149.09592	0.8
151.03905	2.7
151.07437	0.6
153.06985	0.7
154.07658	0.9
155.08514	2.8
157.06465	3.6
157.10139	2.6
159.04407	3.8
159.08023	1.1
159.11649	0.9
161.02330	2.4
161.05904	4.6
161.09621	1.3
162.96196	0.6
163.03877	4.0
163.07523	0.8
163.11209	0.9
165.01855	3.0
165.05527	0.8
165.06966	1.3
167.03288	0.8
167.08540	3.5
169.06474	0.6
169.10101	2.5
171.04381	0.9
171.08063	2.9
173.02354	1.1
173.05940	4.7
173.09657	1.0
175.03819	5.8
175.07501	1.1
175.11148	0.9
177.05467	2.6
179.03389	1.0
181.10095	2.4
183.07976	1.0
183.11633	1.3
185.05965	2.6
185.09550	1.1
185.13274	0.7
187.03888	2.5
187.07536	0.6
187.11133	2.3
189.05447	7.4
191.03418	0.7
195.07965	0.8
195.11627	1.2
197.09547	0.9
199.11241	2.6
201.05466	1.1
203.06998	0.8
203.10643	1.1
205.04927	2.3
205.12265	1.2
207.06445	0.9
209.09532	0.8
211.11076	0.7
213.05498	0.7
213.09064	1.1
213.12685	2.6
215.10646	3.3
217.04892	3.0
221.04378	11.4
222.41182	0.6
223.11055	2.4
225.09082	1.2
227.10675	2.3
231.06523	0.7
231.10172	0.8
233.11760	5.9
235.05951	2.3
241.08429	0.7
241.12163	4.4
243.10248	1.3
245.11746	1.0
251.10583	3.5
259.10419	0.7
259.13269	4.4
261.11179	1.1
269.11682	7.9
277.10703	2.8
279.10156	1.3
287.12723	10.6
289.10654	0.6
297.11096	4.9
305.13669	5.0
315.12234	17.1
318.67484	0.6
333.13242	100.0
334.13635	1.1
351.14301	31.9
369.15344	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	404.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54940	0.5
53.03938	0.8
55.01862	4.2
55.05502	5.5
57.03444	0.6
63.19580	0.6
65.03941	0.5
67.05491	6.1
69.03408	1.0
69.07049	2.6
70.83273	0.6
71.05002	0.6
79.05473	9.1
79.05865	0.9
81.03411	3.7
81.07039	8.7
82.06539	0.6
83.04951	1.0
83.08612	2.4
85.02902	1.5
91.01805	0.6
91.05457	9.4
93.03391	1.0
93.07008	5.0
95.01308	1.3
95.04967	4.0
95.08592	3.4
97.02866	2.3
97.06516	0.8
97.10150	0.9
98.97557	0.6
103.05438	1.2
103.50999	0.5
105.03385	1.1
105.07014	6.2
107.04939	4.5
107.08598	2.4
109.02882	3.4
109.06512	1.3
109.10155	1.2
111.00751	0.6
111.04460	0.9
115.05423	1.0
117.06997	5.7
119.04913	1.1
119.08585	4.2
121.02817	1.0
121.06461	1.2
123.04430	2.8
123.08061	0.9
125.02315	1.3
125.90356	0.6
128.06244	2.3
129.06985	5.6
131.04892	1.3
131.08528	6.0
133.06490	4.0
133.10139	2.7
135.04359	4.5
135.11696	0.9
137.05946	1.4
139.03877	0.9
141.07011	2.6
143.08563	3.7
145.02873	0.7
145.06471	5.3
145.10133	2.3
147.04417	3.4
147.08073	1.4
147.11740	0.8
149.02377	4.3
149.06033	1.0
151.03944	2.2
153.06961	0.9
155.08542	1.1
157.06490	2.5
157.10139	1.1
159.04413	2.2
159.08064	2.5
159.11646	1.3
161.02306	1.0
161.05983	4.1
161.09636	0.8
163.03902	4.5
163.09906	0.6
163.11214	1.1
164.10596	0.8
165.01808	0.9
165.05457	2.5
165.07018	0.8
167.08600	2.8
169.10136	0.9
171.04440	1.0
171.08014	1.4
171.11615	1.1
173.02364	1.3
173.05980	5.0
173.09558	2.4
175.03941	6.6
175.07510	1.1
177.05495	2.9
179.03392	0.8
179.08513	0.8
180.09377	0.8
181.04947	0.6
181.10088	1.3
183.07982	1.3
183.11646	0.7
185.05997	1.1
185.09647	3.0
187.03914	1.4
187.07565	0.7
187.11151	2.3
189.05473	5.6
191.03410	1.3
191.07050	0.8
195.08177	0.7
195.11641	1.5
197.04373	0.8
199.03873	1.0
199.11162	2.7
201.05501	1.1
201.09003	1.1
203.03493	0.8
203.10660	1.0
205.04964	2.3
205.12242	1.3
206.15410	3.2
209.09706	0.8
213.08963	1.1
213.12781	2.4
215.10670	1.1
217.04951	3.2
217.12163	1.0
221.04420	12.5
223.11153	2.4
224.16429	8.8
225.09053	1.3
227.10733	3.5
229.12183	0.9
231.13857	0.8
233.11699	6.5
235.05957	1.0
237.08998	0.8
241.12198	6.1
243.10182	1.3
245.11778	1.0
251.10646	2.9
255.09984	1.1
259.09787	0.6
259.13232	4.6
261.10992	1.0
269.11676	7.2
277.10730	2.4
279.10129	1.3
287.12674	8.2
289.10773	0.9
297.11023	4.3
305.13754	3.9
315.12213	14.5
333.13269	100.0
334.13809	0.9
335.77106	0.7
351.14304	30.7
358.45062	0.7
369.15451	4.3
403.55191	0.6
409.06577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.4
55.01844	2.3
55.05497	6.2
56.96532	1.3
57.03420	1.2
59.04977	1.7
60.91888	0.9
61.02897	4.0
67.05487	2.2
69.03411	6.9
70.06555	1.9
71.04971	2.3
72.08142	1.7
73.02905	1.9
79.05463	10.5
81.03397	16.3
81.07026	3.7
83.04964	4.2
83.08586	1.3
83.99430	1.0
85.02890	24.8
87.04444	1.3
91.05468	15.0
93.07014	15.0
95.01309	1.0
95.04925	1.5
95.08612	1.1
97.02869	6.0
97.06501	3.4
99.04430	17.4
100.89409	0.9
105.03373	1.0
105.07015	47.2
107.04961	1.8
107.08584	21.6
108.31619	0.9
109.06480	1.8
109.10144	2.2
119.04863	1.2
119.08560	29.9
121.10098	4.1
122.09656	4.7
123.04428	1.6
123.08053	1.6
123.11669	1.7
127.03916	1.8
131.08540	4.1
133.06433	1.3
133.10110	100.0
135.07977	1.0
135.11641	2.0
137.05963	8.5
137.09610	7.5
143.08577	7.2
145.04951	1.8
145.10150	1.3
147.04366	1.5
147.08063	7.6
147.11664	1.6
149.09627	8.7
151.07532	4.4
151.11185	13.7
161.09604	27.8
161.13235	1.8
163.03854	4.8
163.11162	1.4
165.12721	1.6
171.11620	1.1
176.08267	1.4
179.10641	83.4
180.08743	1.2
189.09052	3.5
189.12688	6.7
207.10149	49.2
207.13669	8.3
225.11192	57.7
225.14604	1.4
242.13971	1.2
271.20001	0.9
289.14224	2.2
299.10162	1.6
307.15234	4.2
323.14706	1.1
327.09537	1.1
333.13245	4.0
337.53491	0.9
345.10635	1.5
351.14304	1.7
369.15338	1.9
373.09998	1.9
404.16458	1.9
404.25107	1.8
405.12851	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65810	0.5
55.05495	3.3
56.96280	0.9
56.96553	19.1
57.03429	1.0
57.69332	0.5
67.05504	4.2
69.07034	2.5
71.95232	1.1
79.05463	5.4
81.07049	6.4
83.04944	1.0
83.08588	0.8
91.05457	4.7
92.63612	0.8
93.07028	5.5
94.04128	0.8
95.04934	0.7
95.08582	3.0
97.06472	1.1
98.97556	87.2
105.07029	1.3
107.08590	3.2
109.10139	0.6
116.98596	90.3
119.08569	0.8
122.03613	5.4
131.08554	0.9
133.10085	1.2
134.99631	60.3
135.11777	1.1
137.05952	57.5
140.00150	1.4
146.16548	0.7
149.13232	1.4
153.00690	12.7
158.01201	2.7
159.11647	0.7
177.12631	0.9
179.00096	1.5
197.01218	4.4
198.01984	0.9
211.02722	1.2
215.02309	1.2
220.00421	2.5
224.09438	2.5
226.11098	21.3
235.02727	40.4
235.32085	0.6
238.01474	5.6
244.12163	16.7
253.03780	100.0
256.02527	0.7
268.12198	2.5
269.17459	3.9
271.04895	6.3
276.05438	3.7
280.12479	0.9
329.12802	1.4
344.15305	3.0
349.30804	0.6
351.25323	2.5
362.16367	1.3
369.26181	0.7
404.17361	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	404.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06076	100.0
62.72108	0.2
69.03405	0.5
70.06600	0.4
83.04930	0.3
85.02864	0.2
86.06058	1.4
87.04441	3.7
87.04822	0.2
88.04801	0.5
89.04878	0.3
95.41310	0.2
104.07076	4.0
105.07401	0.7
110.28250	0.3
143.31097	0.3
146.05981	0.5
147.06372	0.4
164.07018	0.4
207.55710	0.3
366.08093	0.3
376.72787	0.4
400.18961	0.3
406.59039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81792	0.4
61.00669	0.3
69.03406	0.5
69.79245	0.3
69.81676	0.4
85.02889	0.8
87.04457	0.5
98.33820	0.3
100.54783	0.4
104.07097	0.5
107.04889	0.4
112.03767	0.7
116.01938	0.3
121.06464	0.7
163.03906	1.7
171.06218	0.6
180.80757	0.3
202.09250	0.4
220.10374	0.7
221.05017	0.5
224.08887	1.4
242.09982	7.7
262.47467	0.4
287.10968	14.5
333.11502	3.5
404.15198	100.0
405.15515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01866	9.5
57.03428	22.2
59.04993	2.6
61.02917	10.6
69.03419	12.1
71.01336	9.2
71.04984	5.0
73.02896	14.1
81.03415	6.2
83.01321	3.6
85.02892	47.5
87.00817	0.9
87.04457	15.5
89.02379	7.9
91.03941	4.0
97.02871	16.6
99.04441	3.3
101.02362	30.8
103.03913	3.1
109.02881	3.8
111.00793	3.1
113.02393	1.0
115.03913	51.6
119.03437	0.9
127.03891	11.9
129.01822	42.9
131.03384	1.5
133.04889	4.8
141.01804	2.8
143.03397	20.3
145.04971	7.1
147.02881	5.1
157.01302	44.5
159.02881	2.7
161.04436	24.5
163.03918	1.1
163.06046	1.0
171.02914	5.3
175.02347	3.1
189.03917	100.0
207.04991	14.4
212.05339	1.5
225.06104	3.0
297.50385	0.8
333.08093	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	403.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.86355	0.7
55.01867	1.6
55.05502	3.0
57.03440	0.8
57.07055	2.6
61.02923	0.8
67.05489	4.7
69.03420	16.6
69.07062	3.4
70.06589	1.0
71.04979	1.3
72.08109	0.8
72.21885	0.5
79.05493	1.6
80.51217	0.7
81.03387	1.2
81.07050	4.1
83.04969	8.0
83.08607	0.8
84.08152	0.7
85.02898	8.3
85.06534	3.2
86.09695	1.0
91.05466	20.0
93.07029	83.4
95.04954	11.6
95.08604	3.3
97.02898	1.2
97.06516	3.2
98.97583	1.3
99.04430	0.8
103.05445	3.5
105.04533	0.9
105.07037	3.9
107.04955	1.2
107.08585	5.1
109.06495	4.8
109.10150	3.6
111.08065	3.8
112.57639	0.7
114.36739	0.7
116.98572	1.4
117.07035	1.2
119.08556	4.1
121.06492	100.0
121.10146	3.4
122.06874	0.7
123.08019	0.7
127.03856	0.7
127.07541	8.2
131.08536	3.8
133.10135	3.2
135.08046	3.0
135.11694	1.6
137.05891	1.1
137.09615	3.5
139.07567	3.9
144.09277	1.1
145.04982	0.8
145.10098	2.7
147.11748	0.8
149.09612	7.3
151.03918	2.9
153.09033	1.3
155.10669	3.8
159.11633	9.2
161.09558	1.1
163.11168	3.1
168.77779	0.7
175.11218	1.2
177.12752	3.9
179.10654	3.2
187.11241	2.9
193.12325	1.2
205.12227	35.9
223.13272	15.3
241.14371	0.9
244.86755	0.8
361.09982	1.0
381.07370	0.7
403.15631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
54.57933	0.9
55.01863	4.4
55.05502	12.9
57.03431	12.8
57.07042	1.0
59.04981	6.4
61.02911	0.9
66.98963	1.0
67.05495	10.3
67.13534	1.0
68.99754	1.4
69.03412	16.9
69.07047	5.5
71.04975	2.5
72.08137	1.6
79.05476	7.6
81.03407	7.7
81.07038	21.8
83.01331	4.3
83.04967	15.2
85.02890	21.1
85.06535	1.3
85.46822	0.9
86.09692	1.7
87.75447	0.9
91.05457	14.4
93.07018	35.3
95.04946	12.2
95.08585	15.8
97.06516	2.2
97.10150	4.7
99.04465	1.6
100.24664	1.0
105.04485	1.2
105.07023	15.2
107.04951	2.6
107.08566	17.5
109.06501	48.9
109.10131	7.6
110.07278	1.5
111.04417	1.0
111.08048	24.7
113.05957	1.6
117.06974	2.4
119.04834	1.2
119.08554	25.4
121.05602	1.8
121.06474	56.9
121.10120	8.2
123.08058	17.4
123.11687	4.2
125.09592	9.0
131.08517	1.7
133.10085	13.8
135.08022	22.4
135.11649	5.2
137.05949	6.0
137.09598	25.1
139.07516	5.0
142.07729	1.3
145.06422	1.9
145.10094	5.4
146.07205	1.9
147.04488	1.3
147.08022	4.3
147.11690	10.4
149.05959	20.9
149.09596	10.7
151.07498	1.9
151.11142	16.4
153.09084	27.1
157.10110	1.9
159.08099	1.3
159.11667	6.8
160.08797	13.4
161.09570	4.7
163.11134	4.0
165.09111	1.6
165.12735	2.1
175.11145	52.4
177.09010	1.1
177.12671	12.3
179.10635	5.2
187.11211	1.8
193.12204	100.0
195.13773	4.0
205.12245	15.7
223.13246	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	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67904	1.0
53.03934	3.2
55.01857	6.9
55.05503	14.2
56.96526	2.0
57.03429	10.7
57.07066	2.0
59.04979	8.1
61.02914	1.8
64.00953	1.2
65.47690	1.1
65.74911	1.1
67.05492	13.0
69.03413	21.4
69.07056	6.2
70.06570	2.1
71.04967	5.9
72.08144	5.7
74.86209	1.1
79.05467	8.6
81.03386	8.9
81.07036	25.6
82.39036	1.3
82.58556	1.3
83.01327	1.7
83.04423	1.7
83.04966	25.3
83.08669	1.8
84.08130	1.8
85.02886	29.5
85.06533	5.4
86.09676	8.1
89.48631	1.2
91.05459	21.0
93.07024	42.8
95.04963	18.3
95.08575	15.9
97.02863	5.3
97.06493	2.4
97.10114	1.7
98.97566	1.5
99.04415	1.7
101.65474	1.2
103.05479	1.6
105.07011	16.0
107.08567	24.1
109.06502	77.4
109.10152	8.7
110.07229	1.4
111.04418	1.7
111.08070	23.1
113.06020	10.6
117.06985	6.3
119.04885	1.4
119.08552	30.8
121.06481	68.3
121.10109	12.4
123.04404	2.3
123.08058	18.3
123.11707	2.8
125.09582	8.1
127.03936	2.3
128.06126	1.6
131.08522	2.6
133.06490	5.1
133.10115	15.8
135.08031	31.8
135.11662	7.3
137.05942	11.1
137.09625	15.4
139.07523	5.8
145.06497	1.8
145.10117	7.8
146.07262	1.5
147.08046	10.3
147.11644	11.6
149.05974	23.2
149.09592	46.0
149.13274	2.9
151.07489	2.2
151.11163	22.9
153.09082	17.4
157.10121	1.5
159.11699	12.6
160.08769	14.0
161.09590	15.4
163.11108	9.3
165.09093	6.5
165.12810	1.7
167.07016	5.2
175.11157	53.4
177.12688	13.2
179.09135	2.2
179.10637	25.8
187.11125	10.3
188.97089	1.5
193.12202	100.0
205.12206	31.1
207.07982	1.7
223.13248	53.4
223.15332	3.0
252.10152	5.4
301.04791	1.5
403.14978	2.0
409.57547	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36325	0.6
54.40428	0.6
60.10239	0.6
60.72556	0.6
77.34103	0.6
97.02867	3.0
98.97548	1.1
100.48962	0.7
108.49624	0.6
116.98608	1.6
119.01888	6.7
134.99649	1.1
137.02962	5.0
177.00954	13.6
178.00972	0.7
201.00931	0.8
216.54308	0.8
217.04073	3.3
219.01981	27.6
219.04086	1.3
220.02107	1.0
225.01007	0.9
225.98769	0.8
232.70329	0.7
243.01894	5.8
258.99844	5.0
261.03012	100.0
262.03177	4.7
263.02930	1.1
277.01019	8.4
279.00928	1.4
282.99942	10.0
284.04611	1.2
284.99680	1.0
286.99677	1.0
301.01004	23.8
302.01102	1.0
303.01068	3.4
305.00546	5.8
319.02002	1.0
356.96680	1.0
361.03098	0.8
367.45959	0.8
380.96622	3.0
384.96109	1.2
385.03055	7.2
398.97650	11.7
402.97131	2.8
403.04306	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	403.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33195	1.3
55.83557	1.1
57.03438	1.8
58.33792	1.1
61.02919	2.5
67.05494	1.8
69.03417	8.9
72.08137	4.8
79.05476	1.6
80.59937	1.1
81.03411	2.8
83.05009	1.5
85.02890	16.6
86.67442	1.6
91.05466	2.2
93.07034	10.5
95.04932	1.9
97.02870	6.3
98.97530	2.0
105.06968	1.7
107.04898	1.3
107.08574	1.8
119.08566	2.1
121.06458	12.4
127.03918	1.2
131.44608	1.5
135.08075	1.8
137.05986	2.8
147.04361	2.9
149.04704	18.5
149.09473	1.4
159.11679	1.6
159.14113	1.3
160.03812	1.3
161.09576	1.9
178.04956	34.8
205.12180	2.6
223.13316	5.8
224.05505	100.0
224.93730	1.4
386.20700	1.6
403.15771	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	403.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63291	0.2
56.07653	0.2
56.47248	0.2
57.03417	0.4
57.70207	0.2
59.24992	0.2
61.02894	0.5
61.04021	0.2
64.87206	0.2
69.03417	1.6
70.06557	0.2
73.02897	0.5
81.03403	0.3
85.02903	2.1
87.04438	0.3
91.05455	1.1
94.06541	0.5
97.02868	1.5
98.97577	0.3
108.08105	1.9
109.02840	0.3
115.03947	0.4
117.05724	0.4
118.06525	1.7
119.04910	0.3
122.05999	1.1
123.06815	0.3
124.07580	0.5
127.03934	0.4
127.04978	0.2
134.06013	2.6
135.09163	0.5
136.07544	4.9
145.07573	0.5
146.05991	100.0
147.06694	1.5
148.06355	0.4
148.07507	0.5
152.07047	2.9
154.08565	0.4
161.07079	0.9
163.08633	26.7
164.07036	67.7
165.07349	0.4
181.09689	6.6
182.08080	1.8
188.07039	1.4
197.06580	0.2
205.09709	5.5
206.08102	0.2
223.10785	4.3
241.11769	5.2
326.12283	26.5
343.14844	3.2
385.15997	9.9
403.17093	11.3
403.21185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07113	0.8
57.07065	13.1
58.06578	1.6
60.53547	0.7
66.55250	0.9
67.05479	5.3
69.07040	1.4
70.06210	1.3
70.06575	30.0
71.08602	3.7
72.14396	0.7
76.56316	0.7
81.07041	3.0
81.89393	0.8
85.06555	0.9
88.07611	31.2
95.08585	1.1
102.09162	19.9
115.10480	0.9
129.01790	1.1
132.10185	1.4
157.01299	0.9
226.36325	0.9
340.35675	63.8
384.38284	5.0
402.39328	100.0
407.04086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.6
55.01867	20.9
55.05266	1.8
55.05504	32.7
57.03421	16.8
57.07056	8.1
58.27109	1.2
59.01664	1.0
60.14277	1.2
67.05490	76.1
68.99747	1.1
69.03403	4.8
69.07056	21.0
71.04961	8.2
71.08608	5.0
79.05473	42.9
81.03407	13.6
81.07036	77.5
83.04970	15.7
83.08600	14.1
85.06513	7.6
87.04434	1.9
91.05460	60.7
93.07021	44.4
95.04938	23.6
95.08576	37.7
97.02853	4.6
97.06512	8.1
97.10141	4.7
99.08078	1.8
103.05460	1.3
105.07010	53.4
107.04958	13.7
107.08575	48.0
109.06511	11.8
109.10143	55.0
111.04425	2.0
111.08070	3.0
113.09618	1.3
115.05440	1.5
115.58213	1.1
117.07006	9.9
119.08553	18.9
121.06478	5.1
121.10132	12.5
123.04353	1.5
123.08033	8.6
123.11678	10.0
125.09612	7.1
127.07582	1.5
129.07040	2.7
131.08521	12.8
133.10103	64.9
134.27588	1.1
135.08029	4.8
135.11659	9.6
137.09589	12.5
137.13329	1.3
145.06511	1.5
145.10133	9.0
147.11607	6.8
149.09659	8.5
151.11136	25.0
159.11649	4.7
161.09642	1.3
161.13174	1.5
163.11160	7.8
165.09096	1.8
165.12724	1.8
169.12239	1.4
173.13162	2.1
175.11314	1.2
177.12666	5.1
191.14308	1.5
195.13828	2.3
199.13243	1.4
211.13255	1.8
229.19466	2.5
238.49249	1.2
247.20538	2.0
253.14276	21.3
257.18915	2.1
259.72620	1.3
267.15875	1.5
271.15283	5.2
275.19980	28.6
285.16922	10.3
293.21024	11.1
317.82272	1.5
349.23645	8.1
367.24701	100.0
402.32382	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.7
53.03930	3.7
54.34090	0.6
55.01868	8.7
55.05506	21.2
55.27900	0.6
57.03429	9.0
57.07064	1.5
65.03943	0.9
67.05496	40.9
69.03416	1.5
69.07058	25.7
71.04972	3.0
79.05128	0.9
79.05476	35.0
81.03408	4.2
81.07041	100.0
83.04987	6.1
83.08607	16.5
85.06532	1.3
89.42454	0.6
91.04889	1.0
91.05466	29.9
93.07030	33.5
94.27592	0.6
95.04945	13.8
95.08593	27.3
95.09193	1.2
95.94961	0.7
97.06517	10.7
97.10154	3.0
99.08073	1.6
103.05437	0.7
105.07019	31.9
107.04934	13.3
107.08584	21.8
109.06507	30.7
109.10146	9.1
111.08090	4.5
117.06999	9.3
119.08562	26.9
121.06489	6.4
121.10121	14.5
123.08054	8.8
123.11697	4.6
125.09637	1.5
129.06967	3.6
131.08546	17.1
133.06474	1.7
133.10120	19.0
135.08051	5.3
135.11662	6.8
137.09630	5.4
139.11153	0.9
141.06972	1.0
142.07748	1.2
143.08554	3.3
145.10112	15.0
147.08017	2.9
147.11684	14.3
149.09602	8.8
149.13234	6.7
151.11174	4.3
156.16051	0.7
157.10109	4.1
159.11681	10.1
161.09579	1.5
161.13269	3.9
163.11127	9.0
163.14799	0.8
165.12721	4.0
169.10045	0.7
171.11662	2.8
173.13245	4.0
175.11191	3.3
177.12758	2.7
179.14244	0.9
183.11751	1.4
185.13191	0.9
187.14796	1.4
191.14317	1.4
193.12166	0.8
201.12790	1.0
207.13858	0.9
215.17946	0.7
217.15736	0.8
229.19527	1.2
239.17975	1.5
247.20572	3.6
257.18991	4.5
275.20023	42.7
293.21088	9.7
349.23679	50.3
367.24744	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	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.1
53.78009	1.7
55.01864	18.9
55.05506	45.0
55.19077	1.7
55.91187	2.4
57.03426	23.4
57.07063	11.1
59.04966	1.9
63.50774	1.9
64.77409	1.8
65.03947	2.0
67.05151	4.1
67.05492	87.0
69.03406	9.3
69.06767	1.9
69.07058	30.1
71.04973	9.8
71.08612	3.1
79.05473	54.7
81.03389	18.7
81.07039	100.0
83.04972	16.8
83.08600	20.0
83.73277	1.8
85.02850	1.8
85.06523	10.3
88.03986	1.9
91.05460	76.3
93.07019	51.3
95.04942	32.6
95.08591	48.2
97.02876	3.1
97.06498	9.6
97.10127	4.1
99.08054	11.5
105.07011	63.6
107.04935	17.6
107.08568	47.7
109.06483	13.7
109.10142	62.3
110.04774	2.0
111.04438	3.6
111.08006	2.5
117.07006	12.0
119.08546	21.2
121.06498	9.7
121.10118	11.8
123.04361	2.4
123.08034	11.1
123.11682	11.1
125.09592	3.3
127.03854	2.1
130.04898	3.7
131.08530	18.6
133.10100	70.1
133.11046	3.9
135.08023	4.8
135.11635	8.8
137.09578	15.0
145.10088	12.7
147.11652	10.4
149.02318	4.6
149.09569	9.1
149.13306	2.2
151.11185	26.8
157.10121	2.9
159.11697	3.1
161.09496	3.0
161.18301	2.1
163.11136	14.9
169.12241	4.9
175.11214	3.8
197.13321	2.1
229.19476	2.0
247.20470	3.3
253.14220	10.2
271.15341	5.0
275.19983	29.2
285.16934	18.2
293.21075	19.4
337.65610	2.6
349.23489	14.0
367.20059	3.7
367.24710	95.5
385.09155	3.3
401.85309	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	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.5
55.01863	11.3
55.05505	34.5
57.03427	31.0
57.07066	2.1
65.03917	2.9
67.05492	81.9
69.03410	6.8
69.07055	54.9
71.01327	1.6
71.04973	6.9
75.85571	1.4
79.05476	63.7
81.03407	5.6
81.07040	100.0
83.04969	20.7
83.08614	18.4
85.06527	3.6
89.11388	1.6
91.05463	50.1
93.07027	74.8
95.04952	12.9
95.08585	40.9
97.06484	15.5
97.10158	11.7
105.07013	43.3
107.04933	10.7
107.08582	43.3
109.06480	5.9
109.10155	12.9
111.08073	6.8
116.86890	1.7
117.06990	18.8
119.08574	25.8
121.06476	7.1
121.10110	17.5
123.08062	3.5
125.09615	10.6
129.06996	3.3
131.08553	23.0
133.06493	1.8
133.10104	24.4
135.08035	2.4
135.11659	20.0
135.51097	1.5
137.09601	2.6
141.06934	1.6
143.08565	2.7
145.10100	19.9
147.11693	9.6
149.09557	13.3
149.13213	13.3
153.10106	1.8
157.10245	1.8
159.11664	18.0
161.13248	3.8
163.11174	12.1
169.10187	1.7
171.11681	2.7
173.13210	2.8
175.11168	1.9
177.12712	8.0
179.14220	1.8
189.11221	3.1
195.13783	2.3
201.12627	1.7
227.12601	2.6
232.69676	1.6
239.17941	2.5
247.20555	2.0
255.15855	30.5
257.18961	3.0
269.17435	40.7
275.20020	28.4
349.23752	24.6
367.24759	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	402.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.3
53.03935	2.5
55.01865	10.1
55.05508	41.4
57.03172	1.8
57.03429	32.7
57.07067	2.6
65.03915	1.4
67.05493	94.0
69.03413	6.3
69.07054	59.9
71.01321	1.4
71.04974	6.8
77.03938	1.0
77.66360	1.1
79.05478	80.0
81.03395	6.2
81.07040	100.0
83.04958	19.3
83.08607	24.2
85.02876	1.9
85.06519	5.6
91.05463	61.0
93.07022	92.8
95.04950	14.0
95.08584	39.9
97.06504	22.2
97.10155	11.4
99.08073	2.3
105.07014	49.0
107.04932	11.0
107.08578	55.3
109.06509	8.8
109.10134	13.9
111.07327	1.3
111.08071	6.8
113.09628	1.4
115.05465	1.8
117.06997	23.6
119.08553	33.0
121.06474	8.2
121.10121	23.9
123.08060	6.8
123.11660	4.3
125.09577	8.1
129.06987	6.6
131.08551	29.9
133.10106	30.1
135.08051	5.8
135.11671	24.7
137.09610	2.1
141.06995	1.5
143.08562	2.4
143.57814	1.2
145.10118	21.4
147.11652	13.0
149.09579	11.4
149.13271	13.4
151.11102	1.6
155.08560	1.6
157.10130	2.8
159.08089	1.6
159.11670	19.6
161.13232	8.4
163.11162	9.9
165.12648	1.5
171.10025	1.2
171.11664	2.6
173.13237	7.8
175.11124	2.1
177.12714	10.0
179.14238	4.8
181.12166	2.9
184.23294	1.1
185.13257	1.4
189.11163	2.9
195.13747	5.7
227.12718	6.5
229.19400	2.6
239.17952	2.0
245.14052	1.3
247.20468	2.2
255.15851	39.3
257.18945	7.6
269.17413	53.1
275.20044	28.3
309.20175	1.8
349.23636	28.5
367.24606	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	402.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01859	0.8
55.05494	1.5
57.03422	0.9
57.25858	0.3
59.04980	0.7
61.02901	2.5
67.05503	0.7
69.03139	0.3
69.03426	6.6
69.07058	0.5
71.04974	7.9
72.08137	2.2
73.02901	0.4
77.03909	0.5
79.05482	3.6
81.03396	1.4
81.07027	2.5
82.95898	0.4
83.04967	10.9
85.02889	10.7
89.90059	0.4
91.05457	4.3
92.64360	0.5
93.07028	11.9
95.04937	2.5
95.08588	3.2
97.02869	2.8
97.06499	0.7
99.04440	2.9
103.05422	1.5
105.07016	10.6
106.82462	0.4
107.04924	3.8
107.08591	6.9
109.02829	0.7
109.06513	4.1
109.10152	0.9
111.08028	0.8
114.88390	0.4
117.06995	2.6
119.08558	9.4
120.50822	0.4
121.06479	19.6
121.10111	10.5
123.08035	10.2
125.09605	2.3
127.03860	0.7
129.06923	0.8
130.07738	2.5
131.04951	0.6
131.08527	0.9
133.10104	2.4
135.04367	1.6
135.08025	6.7
135.11649	4.4
137.09593	5.0
143.08531	2.5
144.09319	1.4
145.04947	1.0
145.06410	0.4
145.10106	26.2
146.07251	1.9
147.04388	1.8
147.08037	14.3
149.05965	41.9
149.13284	0.8
153.09138	0.6
157.10136	0.5
159.07990	0.7
159.11658	5.1
160.60504	0.5
161.09590	11.2
162.10370	7.7
163.07506	1.6
163.11150	100.0
165.09085	2.8
166.94608	0.4
167.06966	0.6
169.10172	0.4
172.08809	1.9
175.11192	0.6
177.12741	10.2
181.12299	0.5
187.11162	3.3
190.09819	0.5
205.08797	1.9
205.12212	60.9
223.13260	32.8
240.12430	0.4
378.06180	0.5
402.15894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81444	1.0
55.01867	1.6
55.05508	58.4
57.07072	15.9
67.05499	14.2
69.07059	52.3
70.06573	2.3
71.08624	7.3
79.05468	7.5
81.07044	20.9
83.08608	100.0
85.06541	6.1
85.10171	2.1
88.07610	4.7
91.05457	1.6
92.08606	2.4
93.07023	13.8
95.08591	16.2
97.06521	7.2
97.10146	15.0
107.08576	11.3
109.10145	6.0
111.08069	24.6
111.11705	2.0
121.10120	10.9
123.11681	4.4
125.09605	2.3
129.09091	30.9
135.11670	8.6
139.11157	1.5
149.13252	2.6
156.76547	1.1
163.14835	1.4
198.51598	1.3
219.21082	7.3
237.22076	14.2
255.23161	6.4
339.34555	2.4
347.29324	1.9
365.30292	10.2
383.31409	1.6
400.37628	2.2
401.38043	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	402.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21919	0.3
51.12916	0.3
60.04519	0.3
60.05629	1.2
68.05002	0.7
69.03418	11.7
70.06574	0.4
84.04502	2.8
86.05283	0.4
86.06053	31.1
87.04450	94.5
94.56071	0.2
102.05528	0.5
104.07088	100.0
105.34792	0.3
122.07161	0.3
130.05023	1.5
131.05348	0.4
136.06187	0.5
146.05998	2.1
147.07628	0.5
148.06050	1.5
152.07063	0.4
164.07063	0.7
196.09676	0.4
240.08481	0.7
292.58987	0.4
326.12256	0.4
354.68066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1567
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
52.72461	0.4
54.40765	0.4
57.85035	0.4
59.03768	0.3
61.18098	0.4
62.25519	0.4
77.63925	0.4
88.01461	0.5
92.09341	1.1
102.96708	0.4
117.95470	0.4
159.04193	0.6
189.05309	0.6
204.07533	6.5
227.67554	0.5
401.15637	100.0
402.15680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1565
Annotation	Met Asn His
Peak:m/z	Relative Intensity
58.38874	0.4
64.83582	0.5
81.92040	0.4
86.09686	0.5
92.08643	0.4
189.05278	1.1
203.47716	0.4
204.07495	7.8
221.15375	2.1
401.15594	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	401.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05505	18.7
57.07063	6.9
65.55499	1.6
67.05493	19.6
69.07049	18.2
71.04979	3.8
71.12228	1.4
72.57529	1.5
79.05479	24.4
81.03431	2.0
81.07049	25.4
83.04963	2.0
83.08608	3.6
84.76453	1.9
88.07605	3.8
91.05460	47.8
93.07021	39.9
95.04963	12.2
95.08587	15.7
103.05457	2.7
105.07014	100.0
106.07830	2.0
107.08588	28.7
109.06511	34.5
109.10141	7.6
111.41017	1.9
115.05455	4.3
116.06232	3.7
117.07004	23.9
119.08561	75.0
121.10139	13.2
123.08105	2.0
128.06197	9.0
129.06978	29.6
130.07745	10.0
131.08545	57.3
133.09172	3.4
133.10112	58.8
135.08051	9.3
135.11678	8.2
141.06987	9.7
142.07758	30.1
143.08542	43.5
144.09328	8.4
145.06467	2.5
145.10112	73.5
147.08035	6.5
147.11699	8.4
153.07013	3.3
155.08540	24.5
156.09303	20.4
157.10103	48.8
158.10892	12.6
159.11656	24.0
162.26538	1.8
165.06987	11.3
166.07747	2.8
167.08553	11.3
168.09328	10.5
169.10085	21.4
170.10881	4.3
171.11638	15.1
172.12427	2.2
173.09599	1.8
173.13245	28.4
175.14801	3.8
179.08559	11.3
180.09239	5.0
181.10126	13.3
181.11537	1.9
182.10854	10.4
183.11635	16.8
184.12483	3.8
185.13254	8.2
187.14778	21.7
193.10155	10.5
194.10876	3.4
195.10059	1.8
195.11682	15.2
196.12463	3.1
197.13196	11.9
199.14865	11.2
201.12868	2.0
201.16360	3.1
206.10899	3.8
207.11717	9.7
208.12425	6.6
209.13252	15.5
211.14830	2.8
213.16316	2.3
221.13150	12.1
223.14774	3.4
231.11754	2.3
235.14839	3.7
237.16370	2.2
252.18434	2.0
261.16467	2.1
267.13733	1.6
278.20288	1.8
342.27264	1.9
383.27591	1.9
397.26270	1.7
400.37695	2.4
401.28043	2.2
401.38022	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	400.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86531	1.0
55.05505	16.6
55.94276	0.9
57.07057	1.9
58.06588	1.3
65.26548	0.9
67.05495	4.4
69.07056	12.3
70.06585	21.2
71.08604	1.3
81.07019	1.9
83.08608	6.2
88.07613	46.1
92.08678	1.2
95.08585	2.0
97.10162	1.1
102.09171	18.9
106.16022	1.3
109.10226	1.2
110.02482	1.1
118.58321	1.1
130.08505	1.1
132.10187	1.8
152.58722	1.2
169.20624	0.9
171.49239	1.2
250.96431	1.2
294.49359	1.0
338.34128	47.9
382.36893	2.6
400.37814	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	400.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42109	0.4
53.00307	0.5
53.03935	0.3
53.44519	0.5
55.05506	19.4
56.05024	0.5
57.07066	3.7
58.06586	3.0
63.15935	0.4
67.05483	1.7
69.07052	12.6
70.06203	0.9
70.06577	25.9
71.08614	1.0
72.08127	1.8
74.06043	0.7
81.07027	1.0
83.08605	6.6
85.10159	0.4
86.09649	0.6
88.07613	43.4
92.09328	0.5
95.08572	0.9
97.10166	2.2
102.09158	18.5
111.46479	0.5
132.10188	0.9
146.11763	0.6
148.85909	0.5
150.11301	1.0
154.15941	0.5
186.96347	0.4
191.52304	0.5
236.75377	0.5
257.15002	0.5
294.31412	0.7
338.34100	50.3
382.36615	4.2
400.37772	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	401.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	28.4
67.05483	22.1
85.02894	26.1
86.30621	21.6
88.12733	23.3
90.20827	23.2
92.08666	50.9
93.07029	30.8
97.06516	24.6
98.41689	23.2
105.06982	27.5
107.08539	31.3
109.57614	18.5
137.05974	35.7
194.89023	29.3
285.10172	47.7
369.13217	49.4
401.13278	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	401.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35643	0.3
51.69252	0.3
52.75643	0.3
55.05500	0.3
55.96424	0.4
57.03429	0.7
60.42375	0.4
61.02922	0.5
68.86481	0.4
69.03414	2.3
70.06571	0.9
72.08144	0.7
73.98753	0.4
79.05481	0.5
81.03415	0.6
84.04475	1.6
84.08146	0.4
85.02896	5.3
86.09702	0.9
87.04439	0.7
90.92188	0.4
91.05470	0.7
97.02876	2.3
105.07029	0.8
106.90288	0.4
107.04953	0.6
107.08584	0.4
119.04902	0.6
119.08593	1.0
120.08080	7.0
126.03706	2.4
127.03869	0.7
130.06509	79.6
131.04929	0.5
131.06818	0.5
132.04437	12.9
133.06462	0.7
137.05948	1.9
145.02840	0.7
147.04407	0.6
148.06361	0.7
148.07556	31.7
158.05992	33.5
161.09569	0.5
164.13129	0.6
175.11110	0.7
176.07040	100.0
177.05412	0.4
177.09032	0.7
189.09015	0.6
193.08543	0.8
203.10674	1.5
204.06650	2.9
205.06993	0.4
221.11696	1.7
222.07579	52.8
228.54820	0.5
239.12712	0.7
342.85513	0.4
401.12790	0.6
401.17856	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	400.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
54.74403	2.2
55.01877	21.4
55.05497	24.2
57.03433	21.1
57.07043	2.6
59.65758	2.2
67.05492	84.1
69.03407	11.8
69.07061	25.5
71.04973	5.4
76.43345	2.9
79.05474	43.9
81.03401	5.5
81.07040	92.9
83.04955	17.2
83.08589	4.4
84.58523	2.7
84.82056	2.7
85.06528	10.5
91.05457	70.6
93.07024	46.5
95.04940	16.9
95.08577	17.2
97.02863	2.4
97.06480	3.4
101.06047	3.0
105.07012	70.7
107.04924	9.0
107.08575	54.0
109.06516	14.8
109.09388	3.9
109.10143	88.5
117.06995	5.2
119.08540	12.8
121.06443	5.1
121.10141	10.7
123.04369	3.1
123.11687	15.1
124.74612	3.1
131.08568	11.3
133.06479	5.5
133.10101	97.8
135.08047	6.3
135.11696	4.5
135.94423	2.4
143.08562	6.2
145.10147	2.8
147.08072	3.7
149.09578	6.0
151.11156	38.1
154.58551	2.5
161.09534	4.2
165.40186	2.7
169.12210	4.4
202.90591	2.6
215.12834	3.2
215.55519	2.9
245.18826	3.7
253.11626	3.2
253.14278	100.0
271.15359	30.5
273.18372	13.7
291.19461	12.4
365.23154	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	400.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25415	1.0
53.03940	5.3
55.01868	17.0
55.05506	43.2
57.03427	23.5
57.07055	2.3
65.03921	2.2
66.76707	1.2
67.05492	91.4
69.03403	8.8
69.07053	39.3
69.98803	1.1
71.04967	8.6
79.05477	53.9
79.05946	2.0
81.03401	13.8
81.07041	100.0
83.04959	18.9
83.08601	19.8
85.02877	1.5
85.06532	9.6
91.05461	72.4
92.08694	2.3
93.07024	52.5
95.01310	2.1
95.04947	22.6
95.08580	25.2
97.02860	7.3
97.06502	7.7
97.10153	12.2
101.06009	2.1
105.07016	74.5
107.04934	15.4
107.08579	57.1
109.06493	13.1
109.10142	71.6
111.04427	2.4
111.08039	3.0
113.05981	2.7
115.05369	1.6
116.21145	1.2
117.06994	17.0
119.04947	2.1
119.08562	20.1
121.06492	9.9
121.10120	11.3
123.08007	5.3
123.11674	8.8
125.09617	8.9
127.07523	3.0
128.06212	2.4
129.06975	8.4
131.08528	21.8
133.06467	9.7
133.10107	76.2
135.08064	12.6
135.11671	6.5
137.09595	2.0
143.08530	6.6
145.10065	10.1
147.07985	5.6
147.11685	5.3
149.09598	12.0
151.11166	32.4
157.10074	2.6
159.08025	2.9
159.11670	2.7
161.09546	9.8
163.11111	2.1
169.12212	2.7
171.11684	1.8
175.11177	5.3
177.09050	2.1
179.10641	2.5
187.11147	2.1
189.11227	2.4
189.12817	1.6
203.14384	1.5
215.12857	4.8
223.13261	12.3
224.66060	1.6
227.12860	1.5
245.18954	5.3
249.14842	2.7
253.14288	26.4
255.17345	1.9
263.20056	1.6
269.13785	2.5
271.15350	16.7
273.18497	23.9
285.16995	1.4
291.19482	89.2
320.68439	1.4
347.22205	6.1
365.23166	91.1
390.50381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38581	0.6
56.96280	1.6
56.96554	36.0
57.03420	1.9
57.07050	0.7
60.52032	0.8
61.02944	0.7
65.84473	0.7
67.05488	1.0
69.03402	2.0
70.06577	2.1
71.04966	4.3
72.08128	1.3
73.02871	1.0
81.03401	1.8
81.07057	0.9
83.04948	1.0
84.96014	22.4
85.02875	10.7
91.05458	4.4
97.02852	4.4
98.97558	81.6
102.97027	3.4
103.05455	1.3
107.04942	1.2
110.97549	17.1
111.04392	1.0
112.99083	3.8
116.98594	61.7
119.04893	3.5
120.08083	10.4
124.99075	0.9
125.07941	1.2
126.97011	1.5
127.03928	0.9
128.98572	30.1
129.05446	1.4
131.00140	3.6
131.04889	2.0
134.99617	26.7
135.07990	1.2
136.07529	15.2
137.05949	1.9
140.98558	6.2
143.00151	8.2
144.98059	12.1
145.04910	1.4
146.98462	1.1
146.99620	25.0
147.04382	2.0
149.01233	2.9
153.00693	3.4
158.99634	19.8
160.38026	0.8
161.01187	19.1
162.99118	21.0
165.00612	1.6
170.99617	4.9
177.00644	29.2
179.02258	3.8
181.00191	1.5
189.00682	5.5
191.02202	0.8
195.01801	7.5
201.00661	1.6
211.60841	0.7
214.03857	4.4
219.01736	12.6
229.07199	1.1
229.60025	1.0
232.04866	20.0
237.02754	38.7
250.05949	8.0
255.03683	3.6
256.04865	5.0
257.47006	0.8
268.78781	0.9
274.05920	5.1
283.14215	1.4
292.04904	1.1
298.05890	0.9
310.05927	1.1
314.30774	0.9
340.06940	10.9
354.13943	0.9
358.08008	100.0
376.09009	10.4
381.09689	3.4
400.09134	13.5
400.14487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05501	0.4
57.03421	2.8
57.35738	0.3
66.35400	0.3
69.03113	0.3
69.03419	4.8
70.06560	0.6
71.01343	0.5
71.04990	0.4
72.08132	0.7
73.02895	1.6
81.03393	0.5
85.02888	3.1
87.04477	0.4
95.04910	0.3
97.02871	3.5
103.61351	0.3
114.37215	0.3
115.03870	1.3
119.03526	1.4
120.08076	0.6
127.03866	0.4
133.04935	0.7
134.49342	0.3
136.06158	100.0
137.04576	0.4
138.20712	0.3
147.04381	0.7
155.42657	0.3
165.06583	0.4
221.11090	0.4
268.10336	8.1
374.62378	0.3
400.14383	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	399.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76690	0.5
53.00306	0.6
53.03941	0.6
55.01861	0.7
55.05506	31.9
57.03419	4.0
57.07070	23.9
59.04992	1.3
66.51257	0.5
67.05490	33.6
69.07054	55.6
71.04978	8.8
71.08615	12.7
73.06527	1.0
79.05115	0.7
79.05484	10.5
81.07041	31.4
83.04958	4.4
83.08603	47.6
85.06509	1.2
85.10162	5.8
85.54321	0.6
93.07021	21.4
95.08014	1.1
95.08583	21.9
97.06507	10.8
97.10150	20.0
97.29497	0.6
99.08081	1.2
101.06015	1.5
107.08576	16.7
109.10144	100.0
111.08054	6.4
111.11697	4.2
115.07571	1.1
115.40888	0.7
121.10107	16.6
123.11668	4.8
125.09618	4.3
125.13222	0.8
125.59486	0.7
127.11169	52.0
129.09039	0.8
135.11676	14.1
137.13228	4.3
139.11171	5.7
143.10663	1.3
145.12218	30.7
149.13240	11.4
153.12756	4.5
163.14772	6.6
167.14301	1.3
171.13718	0.7
177.16348	3.4
181.15874	1.4
199.17014	0.8
207.81630	0.7
219.21072	15.2
237.22067	16.3
255.23126	10.7
399.30704	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05941	0.3
51.18736	0.3
53.03932	1.7
55.01851	0.8
55.05505	0.5
57.03426	7.6
57.07039	0.5
59.04994	0.4
59.66538	0.3
61.02923	2.9
62.05524	0.4
69.03410	11.4
70.06559	1.6
71.01311	0.4
71.04971	0.6
71.08609	0.5
72.08128	0.8
73.02882	1.8
75.04453	0.6
79.05484	0.5
81.03403	5.0
81.07030	0.7
83.04935	0.5
84.08102	0.4
85.02885	23.2
87.04447	0.6
91.05428	0.7
95.04929	0.8
97.02860	8.1
99.04421	2.3
102.04638	0.7
103.03941	2.0
103.05445	52.9
105.07000	3.1
107.04943	0.5
109.02846	3.3
117.05439	0.7
119.08533	0.4
121.10120	0.9
124.07549	0.5
125.14799	0.4
127.03857	4.7
128.06181	0.4
129.05461	0.6
130.04129	3.1
131.04893	100.0
133.06439	1.7
136.06088	0.4
145.04941	2.4
147.04362	0.8
148.05162	24.1
154.59563	0.4
160.05235	0.7
161.05943	4.4
162.06705	1.8
163.07504	32.5
173.09485	0.4
175.07571	1.4
201.09033	1.3
219.10132	0.5
225.10196	0.4
237.11192	2.2
239.63535	0.4
300.55768	0.4
399.16467	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12837	0.6
53.03937	0.5
54.81746	0.6
55.05482	0.6
56.96548	0.7
57.07050	0.6
57.72868	0.6
63.92231	0.5
76.60127	0.7
82.14685	0.7
82.39119	0.7
86.03662	0.8
92.08672	2.5
101.05968	0.7
105.07063	1.2
131.04903	1.5
134.73746	0.7
137.05981	3.0
204.07553	5.9
297.07434	0.9
305.62735	0.7
399.14114	100.0
399.23334	4.2
400.14304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01870	0.9
57.03431	7.9
58.34240	0.7
59.17003	0.6
61.02906	3.3
69.03415	12.2
70.06578	0.9
71.04966	1.1
72.08128	2.9
72.44413	0.6
73.02894	0.9
81.03397	5.8
84.04489	2.7
85.02889	25.8
97.02869	8.1
99.04438	1.4
103.04004	2.1
103.05450	57.1
105.06985	1.4
109.02863	3.7
111.04446	0.9
121.18936	0.8
127.03911	4.4
129.07018	0.8
130.04091	2.1
131.04904	100.0
133.06461	1.0
145.05032	1.3
145.06454	2.5
147.04372	1.0
148.05167	21.2
149.10806	0.7
156.76711	0.7
161.05943	3.8
162.06693	1.7
163.07510	33.2
164.13072	0.9
175.07506	3.0
201.09184	1.5
203.05269	1.1
219.10257	0.9
237.11201	3.4
375.71936	0.7
390.08575	0.8
399.16211	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	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
53.26728	0.3
55.01864	1.3
57.03180	0.4
57.03431	8.0
61.02918	3.6
69.01060	0.3
69.03070	0.6
69.03415	10.0
71.04968	1.4
73.02880	1.6
75.04452	0.7
81.03394	4.7
85.02892	24.5
86.09689	0.3
87.04448	1.2
91.03911	0.4
91.05460	0.4
95.04940	0.6
97.02872	7.9
99.04431	2.1
101.02367	0.4
102.04666	0.7
103.04015	2.3
103.05451	55.7
105.07005	2.2
109.02862	3.4
111.93038	0.3
121.10155	0.5
127.03864	4.6
128.06250	0.3
129.06952	0.4
130.04114	4.0
131.04904	100.0
133.06433	1.9
145.04950	2.4
148.05168	23.2
160.05161	1.1
161.05943	4.0
162.06721	1.5
163.07509	36.7
175.07596	0.4
189.09106	0.4
201.09166	0.7
204.07753	0.4
219.10257	0.4
225.76762	0.4
237.11244	2.7
251.79108	0.3
330.10825	0.3
399.16119	0.6
414.31906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49897	2.8
55.05511	30.9
57.07059	25.5
57.12748	2.7
61.16809	3.3
67.05500	53.4
69.07058	31.5
71.04969	4.9
71.08624	5.3
71.83163	3.0
79.05483	34.7
81.07041	63.7
83.08606	30.2
85.06557	4.5
87.04554	3.2
91.05464	6.6
92.08646	6.1
93.07023	38.0
95.08590	74.2
97.06513	38.6
97.10155	19.2
105.07005	4.1
107.08581	19.9
109.10155	37.7
111.08099	4.8
118.75424	3.5
121.10126	43.2
123.11681	15.7
131.53258	3.5
133.10138	3.9
135.11673	29.6
149.13283	15.3
160.74091	3.2
182.89140	3.6
345.31363	18.9
363.32550	100.0
381.33475	41.1
398.43271	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	399.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37209	0.6
54.81409	0.8
55.05521	0.9
56.05013	0.6
69.03380	1.1
70.06561	2.7
71.04961	0.9
71.08575	1.1
72.08118	0.8
83.04964	0.7
85.02895	2.7
85.10183	0.9
89.43832	0.6
97.02874	6.2
99.93522	0.6
102.05496	1.6
120.08074	1.1
136.06175	10.9
147.04474	1.0
183.10191	0.7
231.31354	0.8
237.07336	1.1
250.09279	3.7
399.12543	100.0
424.46204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.4
55.05509	91.8
57.03426	19.3
67.05495	32.7
69.03429	7.2
69.07061	19.5
76.37301	3.5
79.05468	49.5
81.07040	41.9
83.08613	50.9
86.06052	26.2
91.05471	74.0
93.07024	32.6
95.04961	5.6
95.08618	3.7
97.06517	4.8
97.10160	91.9
105.07012	9.9
107.04977	5.4
107.08591	33.2
109.06572	5.7
109.10104	4.3
111.40576	3.8
115.05505	5.1
117.07001	49.8
119.08566	100.0
121.06448	3.8
125.09595	77.2
126.36522	3.9
131.08531	8.2
135.04181	4.3
135.08086	19.0
137.05994	6.4
140.56403	3.7
142.00053	4.9
145.06485	22.7
155.08560	7.5
157.10081	4.7
159.08035	31.5
166.70703	3.9
173.09584	6.8
189.11234	43.3
227.12756	28.4
245.13872	17.1
257.03464	4.5
271.16867	31.7
289.17917	6.5
345.20520	24.1
363.21637	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29213	2.0
54.81357	2.0
55.01868	2.6
55.05499	5.2
55.27534	1.9
56.96552	3.5
57.03423	3.7
61.02910	4.3
63.35858	1.9
67.05489	14.0
67.49346	1.9
69.07048	13.8
71.04984	3.0
79.05459	11.2
81.03401	4.9
81.07050	22.8
83.04956	2.9
83.08607	3.6
85.02888	3.2
85.12272	2.3
91.05462	12.7
93.07030	19.4
95.04963	5.6
95.08586	12.5
97.02899	2.5
105.07018	18.3
105.10638	2.0
107.08574	10.0
109.02908	2.4
109.06522	2.5
117.06952	8.1
119.08552	10.3
121.06474	4.5
121.10104	4.8
123.08060	3.4
131.08528	11.6
133.10107	11.7
145.10046	5.3
147.08086	3.7
147.11659	4.9
163.11128	3.3
184.47740	2.2
189.19432	2.2
198.26918	2.5
203.05862	2.9
224.54904	2.3
257.18851	2.8
267.09155	7.9
269.10678	2.5
275.20044	36.7
281.63568	2.4
285.10059	25.8
293.21082	4.5
314.58646	2.1
328.10434	2.5
349.17035	6.0
349.23642	100.0
367.17801	3.8
398.23853	8.9
411.77908	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
57.03421	0.4
64.33215	0.1
64.42206	0.1
69.03407	0.2
70.06576	0.1
73.02912	0.2
74.02451	0.1
84.08108	0.1
85.02876	0.5
85.06531	0.1
94.04039	0.1
94.21606	0.1
96.75342	0.1
97.02867	0.2
97.85518	0.1
98.97555	0.1
100.53656	0.1
104.55907	0.1
109.06498	0.1
119.03530	0.4
119.04922	0.1
123.04405	0.1
133.04985	0.1
136.06163	100.0
137.04533	0.4
137.05820	0.1
148.04761	0.1
157.41333	0.1
171.86748	0.1
181.08498	0.2
199.23656	0.1
268.10339	14.7
379.28531	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	397.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49614	9.2
67.05477	16.4
68.50447	9.8
69.03409	24.0
75.33728	8.3
79.05437	9.9
81.07003	15.7
86.06039	91.4
87.04432	88.5
88.04769	12.9
92.50127	11.6
92.94231	10.6
97.06497	68.0
104.07059	55.5
117.36768	10.3
131.08516	13.5
134.97824	13.2
138.10748	9.9
169.80034	10.6
303.15695	13.7
304.16101	18.5
322.45197	10.3
390.55090	10.8
397.19583	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	397.258
Annotation	Australin A
Peak:m/z	Relative Intensity
55.05508	34.0
57.03424	9.4
57.07076	12.0
66.49500	1.3
67.05492	15.1
68.99770	2.5
69.07059	40.7
71.08623	9.0
73.85284	1.4
75.04463	3.2
79.05480	8.5
79.42171	1.4
81.07043	23.2
83.08599	22.8
85.10184	1.6
87.00819	41.3
92.09290	1.5
93.07008	14.0
95.08581	18.4
95.45558	1.2
97.06527	1.7
97.10155	16.4
105.01866	13.2
107.08591	9.2
109.10144	7.4
111.08058	1.9
111.11742	1.9
121.10136	11.1
123.11655	2.2
125.09679	1.5
135.11693	9.3
140.13329	1.5
143.03468	2.1
149.13225	5.7
153.12772	1.4
179.41386	1.6
219.21027	2.3
237.22162	6.2
255.23247	5.5
267.22198	1.6
397.25797	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	398.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05482	0.6
56.82405	0.3
57.03411	1.6
60.60569	0.3
61.02911	0.8
63.29718	0.3
67.05492	0.5
69.03401	1.4
69.07030	0.4
70.06558	0.7
71.04947	0.3
72.08150	0.4
73.02874	0.4
79.05456	1.8
81.03410	0.5
81.07037	12.0
83.04967	0.6
84.58633	0.3
85.02885	3.7
85.28329	0.4
90.05528	0.5
91.05417	0.6
95.04922	0.7
95.08566	0.8
96.04480	0.4
96.08078	0.5
97.02860	1.8
97.06522	0.6
99.08081	0.5
103.03912	2.2
109.06509	0.8
109.10093	1.5
110.06041	0.5
111.04421	0.4
116.98609	0.5
118.06458	0.5
119.08521	0.4
121.06432	0.5
122.06000	0.6
123.04456	0.4
123.08040	0.7
124.07583	5.3
126.09121	1.9
127.07523	1.6
130.06458	0.6
131.07251	2.0
132.08072	2.3
134.05965	0.6
135.04384	0.5
136.07545	1.4
137.05948	1.7
137.09567	1.8
138.09102	2.5
140.07047	0.6
143.07054	0.7
144.08073	1.7
145.08585	0.8
146.05923	0.4
147.04388	0.5
152.07001	2.0
153.89131	0.4
154.06500	0.6
155.10622	0.6
159.06763	20.5
160.07542	7.0
165.09109	1.8
170.05992	4.3
172.07536	54.7
174.05490	0.6
183.10121	2.0
188.07028	100.0
200.07033	18.6
201.11191	5.0
218.08075	25.0
219.12247	0.8
235.13725	0.4
236.09132	61.6
242.11748	0.5
259.14444	2.9
277.15381	2.8
376.08981	0.4
398.14374	9.2
418.08585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34719	0.4
55.01867	0.7
55.05504	2.4
57.03431	0.9
67.05498	4.8
68.05016	2.4
69.03416	25.3
69.07055	2.7
70.20165	0.5
73.57603	0.5
75.52298	0.4
79.05486	4.0
81.07043	11.8
83.08611	0.8
86.06055	100.0
87.04454	5.8
91.05477	3.1
93.07043	3.1
95.04949	1.9
95.08584	2.4
96.41545	0.5
97.06508	9.2
104.07098	3.9
105.07022	3.0
105.91157	0.6
107.04928	0.5
107.08575	2.1
109.06499	2.2
109.10114	0.8
111.08049	0.7
119.08540	2.2
121.06448	0.6
121.10149	0.5
123.11722	0.9
129.06902	0.6
131.08542	0.7
133.10136	0.8
135.11674	1.0
137.05994	2.0
145.06430	0.7
147.11690	0.9
149.05931	0.9
149.09573	0.5
161.05971	0.9
163.11218	0.6
187.11165	0.7
189.09077	1.1
201.09148	0.7
215.10718	2.1
233.11742	2.0
243.09946	0.8
247.13353	1.2
261.11224	3.6
275.20090	3.1
285.14917	0.7
287.49045	0.5
293.20975	2.0
303.15811	6.1
311.16284	0.8
329.17441	4.3
361.20142	2.8
396.27377	22.1
396.32236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83118	3.1
55.04188	3.1
60.04508	15.1
61.71712	2.8
63.53999	3.9
71.66275	3.0
78.89273	3.0
79.05452	3.5
81.96603	4.0
93.07011	3.3
109.91315	3.2
139.10840	3.4
152.90433	3.8
216.07538	47.4
239.08904	7.8
350.26111	4.7
397.16156	100.0
397.21408	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	396.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95710	0.7
55.01870	1.6
55.05505	9.6
55.90347	0.8
65.13197	0.9
67.05485	12.3
68.05005	1.9
69.03072	1.5
69.03419	29.8
69.07043	6.9
71.04984	1.0
79.05479	12.9
81.03403	2.2
81.07039	14.1
83.04969	1.6
83.08614	5.2
86.06055	81.2
87.04454	100.0
91.05464	8.9
93.07012	6.9
95.04961	13.6
95.08576	6.1
97.06506	18.1
104.07092	71.0
105.07000	8.4
107.04895	2.0
107.08573	6.9
109.06499	2.2
109.10119	1.7
117.07008	1.7
119.08559	3.6
121.06486	2.2
121.10088	2.2
131.08534	4.1
133.10098	2.0
137.05960	1.4
143.08548	1.4
145.06482	1.1
145.10095	4.8
147.11722	1.7
149.09579	6.4
159.08020	1.4
159.11671	1.1
161.13217	1.8
161.90117	1.1
163.03862	4.8
163.11107	7.3
165.12735	1.2
169.10071	1.9
188.08211	1.2
189.09134	2.4
196.97853	1.3
207.06409	1.8
207.10124	5.0
215.10643	2.3
223.13307	5.3
233.11728	1.8
241.12061	1.5
272.60172	1.1
275.19986	8.4
285.14618	2.0
293.21078	4.9
303.15875	10.1
311.16376	1.4
329.17371	6.7
361.20035	5.5
378.25845	1.1
396.27264	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	396.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05498	0.4
69.03408	0.5
74.00657	0.9
75.27141	0.4
79.05480	2.9
81.07027	0.5
91.05461	7.5
93.06995	0.5
94.04171	0.9
97.02921	0.5
103.05451	12.7
105.07008	5.4
107.04951	2.2
107.08565	3.5
109.06495	2.2
114.98922	0.4
115.05412	4.7
117.07001	5.0
119.04919	0.6
119.08594	0.9
120.01161	0.8
120.05672	0.5
121.06483	1.6
121.10094	0.4
122.03615	4.2
123.04428	0.4
125.05976	0.5
128.06148	0.5
129.07004	3.7
131.04909	23.5
131.08464	0.5
132.05696	0.7
133.06470	0.7
135.08034	8.0
137.05957	100.0
145.06471	0.9
147.04327	0.4
147.08011	2.5
148.05219	1.8
149.05956	0.7
151.07497	1.7
157.06451	2.6
158.44666	0.4
160.05110	1.0
161.05965	0.8
162.06696	0.6
163.07510	89.2
164.07829	0.7
165.09074	1.8
173.05946	0.4
174.06729	2.3
175.07501	14.2
177.09021	2.5
178.07782	0.4
187.07602	0.5
189.05322	0.9
189.09079	7.5
196.08841	0.5
203.08365	0.7
213.22842	0.6
216.53641	0.4
217.14465	0.5
221.09552	0.7
239.10854	0.4
247.07555	0.4
249.09033	1.7
264.11246	0.4
266.09158	0.6
267.10010	0.6
281.11606	2.8
295.13177	2.2
299.12808	0.6
305.11252	0.8
313.14291	22.2
325.14368	3.2
331.15390	7.3
343.15240	2.0
361.16452	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	396.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.05515	2.0
57.03438	1.2
57.07066	6.0
59.05001	2.3
61.02904	1.8
67.05495	5.7
69.03410	4.7
69.07054	5.2
70.02937	1.4
70.06570	2.8
71.04987	2.0
72.04496	14.1
72.08134	2.1
73.02907	1.9
79.05456	1.6
81.03423	1.6
81.07030	4.7
83.04965	1.7
84.04472	1.2
85.02909	9.1
85.06517	12.9
86.09691	4.9
87.04461	9.1
88.03975	13.0
90.05544	6.8
91.05469	2.6
93.07050	9.3
95.04951	6.3
95.08590	4.6
96.08121	1.7
97.02881	1.6
97.06547	2.6
98.02413	8.0
101.61237	1.2
103.07558	2.9
104.07090	100.0
105.07017	1.6
106.06647	1.1
107.04964	2.4
107.08598	1.6
109.06550	1.3
109.10106	4.4
111.08074	2.3
113.06006	1.7
116.03481	4.3
119.08578	1.3
121.06493	2.8
121.10139	8.9
124.07566	11.6
130.05017	6.5
135.11687	5.6
136.07556	1.7
136.62152	1.2
137.05939	6.4
137.09712	1.3
138.11310	1.1
139.07520	2.4
139.11153	2.2
142.08626	2.0
145.06470	1.3
145.10133	6.8
147.04414	4.4
153.09210	1.6
153.12683	1.5
158.05994	1.4
159.61044	1.2
160.09631	1.5
163.11160	4.2
166.08658	1.4
174.11272	1.4
181.12183	12.2
184.09642	7.9
198.11267	2.9
199.09573	1.7
199.13304	10.6
202.10745	8.8
216.12289	12.2
217.14281	4.7
234.11273	3.4
234.13326	59.5
234.15701	2.3
246.07230	1.2
258.64117	1.1
285.10959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86524	1.0
55.05501	5.0
57.03429	13.2
59.04979	1.6
61.02907	2.5
67.05482	1.4
69.03419	8.8
69.07055	12.0
70.06577	1.2
71.01342	2.3
71.04610	1.8
71.04977	41.1
71.88519	1.0
72.08135	1.0
73.02895	6.4
75.04456	6.7
79.05463	1.2
81.03388	4.2
81.07064	3.6
83.04973	11.3
83.08606	2.5
85.02890	100.0
85.06519	1.2
86.09666	2.3
87.04462	3.7
91.05460	2.1
93.07015	5.0
95.04937	1.8
95.08557	4.5
97.02875	7.9
97.06537	1.3
99.04402	2.4
105.07053	1.3
107.08550	4.2
109.02855	1.4
109.06493	1.8
109.10082	1.2
111.03614	0.9
111.04409	5.6
111.08035	7.2
121.06448	1.1
123.08060	1.5
125.09614	1.5
127.03896	6.2
129.05457	21.1
130.08620	1.1
135.08035	1.5
137.05963	1.7
145.04961	5.3
147.06479	12.7
153.09048	4.1
163.05954	1.4
171.06561	1.1
197.11650	1.5
201.10098	1.2
218.05638	1.5
229.09734	1.4
232.09598	2.2
233.08022	3.6
250.10869	1.1
289.11691	1.7
309.11804	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	395.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80273	0.5
53.00306	0.5
53.03942	0.7
55.05504	18.8
55.35688	0.5
57.03404	0.9
57.07069	12.0
58.71413	0.5
59.04986	4.0
61.02942	0.6
67.05492	22.3
69.03415	1.4
69.07052	16.7
71.04977	4.8
71.08615	5.0
77.42102	0.5
79.05472	2.2
81.03412	0.9
81.07040	58.0
83.08601	26.7
85.02888	10.4
85.06525	11.5
85.10172	1.4
87.08108	0.7
92.09393	0.6
93.07017	1.2
95.04944	0.7
95.08587	100.0
97.02886	2.5
97.10152	14.6
99.08064	7.7
101.09623	6.2
105.06999	0.8
107.04914	1.0
107.08612	0.7
109.10143	88.6
111.11702	0.9
113.09609	2.8
123.11685	65.4
127.03860	0.6
127.11184	3.4
137.05930	3.0
137.13246	12.5
139.14874	1.1
141.12727	1.0
145.04970	0.6
179.17918	65.9
197.18987	31.9
213.00629	0.7
215.14441	0.6
215.20023	30.9
230.06345	0.6
233.21082	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	395.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00314	1.8
52.65249	2.0
55.01858	7.5
56.44798	1.7
56.96544	8.1
58.90045	2.3
60.08141	12.7
61.02903	4.1
61.79430	1.7
65.16647	1.6
72.08132	2.5
74.06072	1.7
80.83308	1.7
84.04502	3.1
84.08121	1.9
85.02869	3.3
95.01312	9.3
97.02869	3.3
98.97581	4.3
116.78486	2.1
116.98611	8.2
118.06560	3.2
119.03344	2.3
129.06963	11.3
130.06508	70.2
132.08090	2.0
133.01724	4.1
136.54889	1.9
138.05437	3.2
142.06525	2.6
143.07249	4.9
144.08089	22.8
146.05936	3.1
154.06506	83.8
155.07294	13.7
156.08046	25.1
158.06013	37.9
168.08058	3.6
170.05995	34.1
171.06776	4.0
172.07549	47.9
173.04796	2.7
174.05479	11.0
180.08009	7.1
182.05986	51.1
183.06728	3.4
184.07562	31.1
186.05446	3.1
188.07005	7.8
191.05943	15.7
196.07570	4.3
198.05403	4.0
198.18588	3.3
199.06232	2.9
200.07034	96.4
208.07532	8.1
209.06880	6.9
210.05496	3.4
212.07051	9.0
215.05826	3.0
218.08081	4.0
226.08522	2.7
228.06541	9.1
233.06926	4.0
236.07021	2.7
237.02695	2.6
254.08118	3.4
282.07556	2.9
300.08603	13.6
318.09680	24.9
335.09937	3.2
336.10718	100.0
353.11005	4.6
395.12466	2.9
395.18097	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	394.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	7.0
57.19268	0.5
58.06588	1.5
65.03922	3.3
69.07049	0.6
69.96595	0.8
70.06580	16.2
71.08601	1.5
72.08158	0.6
76.31319	0.6
81.07054	0.6
85.10153	0.6
88.07611	16.3
96.22239	0.7
97.06508	7.1
101.50221	0.6
102.09156	13.8
120.25878	0.6
121.02825	0.8
123.72926	0.6
137.05968	6.5
138.40083	0.7
139.03859	1.2
143.08510	0.8
145.06506	1.0
149.02324	100.0
149.03352	5.5
150.02649	1.3
151.02797	0.9
156.57202	0.6
162.06723	1.1
166.10637	0.7
178.28050	0.7
193.04933	85.2
203.10722	0.8
221.11639	3.0
228.23189	37.1
359.18497	1.5
394.25800	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.1
55.01851	2.6
55.05500	1.2
56.30712	0.1
57.03406	0.1
61.02921	0.2
67.05478	0.3
68.35947	0.1
69.03417	1.7
69.07050	0.2
69.31674	0.1
70.06563	0.2
71.04967	0.2
72.08122	0.2
73.02909	0.1
79.05457	1.2
81.03382	0.2
81.07039	10.5
83.04947	0.5
85.02894	3.0
86.09680	0.6
91.05463	1.1
93.07023	1.2
95.08561	0.5
97.02872	0.7
97.06500	0.2
98.97512	0.2
99.04414	0.6
101.88066	0.1
105.03358	0.2
105.07014	1.5
107.08561	0.9
109.02859	0.2
109.06499	6.5
109.10134	2.1
111.04427	0.5
116.07061	0.2
119.08572	1.6
120.08062	0.5
121.06496	0.6
123.04391	0.1
123.08060	0.2
123.11689	0.3
125.05966	8.1
125.09613	0.2
127.03890	2.9
133.10086	3.2
137.05951	100.0
137.09520	4.1
138.06317	0.3
143.08493	0.9
145.04924	0.2
149.02286	0.1
151.11157	1.0
161.09590	5.8
173.09340	0.2
173.12839	0.1
179.10629	30.7
180.10887	0.2
184.07469	0.2
197.11696	29.4
198.11987	0.2
201.10254	0.5
215.12764	0.7
229.09558	0.3
318.69955	0.1
354.89078	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	394.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20255	0.1
55.01850	2.8
55.02076	0.2
55.05508	3.2
56.62894	0.1
56.65244	0.1
57.03435	0.2
59.04987	0.2
59.40895	0.1
69.03426	1.1
69.07019	0.1
71.04990	0.1
73.51566	0.1
79.05482	1.0
81.07038	8.6
83.22129	0.2
85.02894	1.3
86.09691	0.2
87.50681	0.1
91.05470	0.6
92.08663	0.3
92.97009	0.1
93.07016	0.6
95.08579	0.2
97.02882	0.2
97.06498	0.6
99.04450	1.3
103.10471	0.1
105.03375	0.2
105.07023	0.8
107.08586	1.0
109.06506	6.8
109.10180	0.3
111.04442	0.2
116.07063	0.2
119.08559	0.1
120.08130	0.1
123.08057	0.2
123.11720	0.2
125.05972	21.0
127.03902	6.9
133.10106	2.4
135.07982	0.2
135.11702	0.3
137.05962	100.0
138.06342	0.3
139.07495	0.2
143.08554	0.7
145.04878	0.2
146.07286	0.2
150.02623	0.2
151.11179	0.9
161.09596	4.2
161.66837	0.1
177.16382	0.2
178.16757	0.2
179.10645	23.5
182.38408	0.1
184.07213	0.2
197.11707	34.0
198.12012	0.2
215.06877	0.1
216.08849	0.2
233.08084	0.2
243.11237	0.2
263.93237	0.2
412.61093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03413	0.7
57.83628	0.4
59.06106	0.4
60.05631	0.7
62.14934	0.3
67.05513	0.4
68.03753	0.4
72.19171	0.4
79.05482	1.7
81.07026	1.8
83.08618	0.5
84.08137	0.5
91.05448	2.0
92.08659	1.0
93.07017	1.6
94.04227	0.5
95.04939	0.5
95.08564	0.8
103.05453	8.0
105.07030	1.8
107.04932	0.8
107.08541	0.8
111.08031	0.4
115.05427	0.7
117.06998	0.8
119.04901	0.7
119.08608	0.7
120.08064	0.8
121.06486	3.2
121.10094	0.8
122.03627	2.6
129.06961	2.3
131.04906	15.8
133.06458	1.0
134.13025	0.4
135.08005	3.5
137.05956	41.6
139.00903	0.4
147.04387	2.4
147.08029	0.9
149.02312	0.5
149.05969	2.3
150.02666	0.8
151.02834	0.6
151.03902	0.9
153.01797	0.4
153.05418	0.7
157.06485	2.6
160.05180	1.7
161.05981	1.7
163.07509	29.2
175.07515	100.0
176.07857	0.6
181.08670	0.5
185.05902	1.7
189.09058	2.6
191.06981	3.8
197.15240	0.4
205.08592	4.4
209.08057	9.8
217.08601	1.9
235.09615	30.2
296.86688	0.5
299.13065	0.5
341.13663	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	394.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
55.05486	0.1
57.03423	0.1
66.04688	0.1
67.05489	0.2
79.05495	0.9
81.07022	0.4
83.29841	0.1
84.28448	0.1
86.25212	0.1
91.05461	1.6
92.09323	0.2
92.95499	0.1
93.07024	0.2
94.04162	0.9
95.04968	0.4
97.06519	0.1
102.04668	0.1
103.05452	1.5
105.03410	0.1
105.06995	0.4
107.04947	3.0
110.08914	0.1
115.05436	0.2
117.07011	0.1
119.04926	1.8
121.06458	0.2
122.03627	4.0
128.27798	0.1
129.06972	0.2
130.04121	0.2
131.04918	1.4
135.04402	3.8
135.08025	0.9
137.05962	100.0
138.06297	0.5
147.04372	0.8
148.05151	0.5
149.05917	1.0
151.07530	0.5
157.06509	0.1
159.04411	0.1
160.05170	1.0
161.05943	2.1
161.09583	0.6
163.06232	0.2
163.07518	3.8
167.02145	0.1
167.08450	0.1
174.06729	0.1
175.07559	0.4
177.05484	0.1
178.07828	0.1
181.08572	4.0
189.09097	0.8
193.10179	0.2
195.08034	0.4
207.10049	0.8
209.09653	0.1
221.09616	0.2
221.64265	0.1
223.07480	0.3
225.09105	0.4
227.10670	0.2
231.17307	0.1
241.14331	0.4
251.06953	0.2
251.10612	0.1
253.08519	0.2
255.10077	0.2
279.09882	0.1
283.09525	0.7
285.11179	1.6
297.11319	0.2
311.12744	0.9
329.13843	1.2
341.13611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
54.58801	0.3
55.01869	0.6
55.43780	0.3
57.03411	0.6
61.02901	2.0
65.00915	0.3
69.03412	4.0
71.04959	0.4
73.02893	0.4
79.67679	0.3
81.03396	1.7
85.02892	12.9
86.73426	0.3
91.05466	8.7
94.04188	0.7
97.02872	4.6
99.04404	0.3
103.05481	0.6
107.04950	1.7
108.30660	0.3
109.02854	0.6
109.05680	0.3
117.11278	0.3
119.04924	29.7
122.03626	2.0
127.03840	0.7
131.04892	0.5
135.04333	0.6
137.05960	100.0
145.04915	0.6
147.04393	52.9
149.06003	0.6
149.68781	0.3
151.07510	3.0
153.05417	0.4
163.07559	0.6
164.04660	0.5
167.07007	0.5
179.07002	34.0
181.08539	0.5
189.05870	0.3
197.08090	12.0
219.07895	0.4
266.93719	0.4
275.56299	0.3
289.19034	0.3
319.11218	0.3
381.10172	0.3
410.45880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
57.03422	1.3
60.37997	0.5
61.02914	2.2
62.30716	0.4
69.03415	6.0
69.54149	0.4
71.04971	0.5
73.02876	0.9
79.05468	6.3
79.60667	0.5
81.03400	3.0
81.78929	0.4
82.08110	0.4
83.01309	0.6
85.02889	21.3
91.03945	0.7
91.05461	22.9
92.08716	0.6
95.04963	0.7
97.02870	6.0
107.04936	12.5
109.02862	2.1
119.04919	69.3
121.06464	7.5
122.03623	1.1
127.03933	4.3
131.04890	1.0
135.04393	19.1
137.05954	50.1
145.04932	1.2
147.04388	100.0
148.05029	0.7
149.05954	11.5
150.06827	0.6
151.07513	12.4
161.05870	0.6
163.07512	1.0
164.04688	0.9
167.07005	17.1
177.05453	1.2
179.06993	65.3
191.07002	0.9
197.08083	3.5
203.06741	0.6
229.08623	0.6
293.10245	0.9
311.11218	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	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10286	0.3
55.01858	0.6
57.03424	1.7
57.45231	0.3
61.02901	2.3
64.33049	0.3
65.95589	0.2
67.36047	0.3
69.03407	3.5
73.02894	0.6
77.03876	0.3
79.05474	0.4
79.75352	0.3
81.03400	1.6
81.44147	0.3
84.02887	0.3
85.02374	0.4
85.02885	12.0
87.04458	0.4
91.03918	0.4
91.05458	9.4
94.04170	0.4
97.02865	3.7
103.05457	0.6
107.04920	2.1
109.02859	0.5
119.04922	27.8
122.03647	2.4
127.03896	1.5
129.61394	0.3
131.04900	0.7
135.04347	1.1
137.05956	100.0
145.04976	0.6
147.04390	55.3
148.05092	0.3
149.05975	0.6
151.07533	3.1
163.07471	0.4
167.06993	0.5
179.06999	33.1
181.08571	0.7
197.08066	10.6
197.09869	0.4
232.15622	0.3
277.49911	0.3
290.48782	0.4
295.21954	0.4
295.44089	0.3
311.11343	0.4
394.20593	1.2
419.07922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07264	0.6
55.01861	3.3
55.05505	9.0
57.07057	4.1
59.22034	0.7
61.02914	1.1
65.03909	1.0
67.05493	3.7
69.03419	5.8
69.07053	16.2
70.06564	1.2
71.04966	4.4
71.08619	1.1
72.08131	1.1
73.02896	7.9
79.05474	5.4
81.03397	0.7
81.07037	20.0
83.08600	9.5
84.04460	0.9
85.02882	9.0
85.06543	2.8
91.05461	4.5
93.07021	13.6
95.08578	35.3
97.02845	1.7
97.10146	9.8
99.04456	0.8
99.08084	13.8
103.05418	1.1
105.07023	3.9
107.08571	38.8
109.06555	1.4
109.10144	10.3
110.03628	0.8
111.04426	1.4
111.08058	5.2
113.09631	2.9
115.11156	0.8
119.04919	1.2
120.08072	1.4
121.06419	0.7
121.10117	63.6
123.11697	1.4
125.05972	8.2
125.09616	9.1
127.03899	3.6
133.10019	0.9
135.11687	11.5
137.05954	19.1
137.13222	8.6
139.11118	1.2
145.25284	0.9
145.90533	0.7
147.04451	1.3
149.02319	13.8
149.05943	1.0
149.13264	4.0
150.02661	6.9
151.02832	2.4
151.03889	36.7
151.04993	2.4
161.09557	0.7
167.06992	0.7
177.16342	100.0
179.07043	4.5
179.10629	5.0
195.10225	2.8
195.17401	19.3
196.10530	3.5
197.08070	10.5
197.11694	4.3
213.18452	19.5
286.69110	0.8
394.23013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.5
55.05506	20.8
57.03429	1.4
57.07066	3.1
65.03915	6.2
65.92312	1.4
67.05188	1.6
67.05492	30.0
69.07060	12.8
75.31919	1.3
79.05478	32.0
81.07037	51.8
83.08594	1.6
83.71674	1.3
85.06550	2.2
86.57740	1.6
91.05460	52.5
93.07028	74.5
95.04948	43.4
95.08578	30.8
97.06495	6.4
98.98444	1.9
103.05464	2.7
105.04504	1.3
105.07015	100.0
107.08580	30.8
109.06470	8.5
109.10153	13.0
115.05417	7.1
117.07002	22.7
119.08557	76.9
121.02844	18.5
121.06488	16.4
121.10110	29.6
123.08015	6.5
123.11647	2.6
128.06186	9.7
129.06984	20.1
130.07742	9.6
131.08551	32.8
133.06465	1.9
133.10120	29.4
134.10486	1.3
135.08041	5.5
135.11656	8.3
141.07013	7.3
142.07742	23.2
143.08554	27.2
144.09332	11.9
145.06474	2.0
145.08972	2.2
145.10106	50.8
146.10612	1.4
147.11667	12.2
149.02292	9.1
150.02644	5.8
153.06935	3.4
154.07748	1.6
155.08528	6.9
156.09329	13.1
157.10114	33.0
158.10942	3.2
159.11652	22.8
161.09610	14.4
161.13231	2.7
163.11160	1.7
165.06956	2.8
166.07751	1.8
167.08485	6.6
168.09264	2.4
169.10114	16.7
170.10843	5.4
171.11644	10.1
171.18938	1.5
171.48363	1.5
173.13234	9.2
175.11134	2.6
175.14790	6.1
178.84885	1.5
179.08463	2.5
181.10056	10.1
182.10831	5.9
183.11633	7.9
185.13191	5.9
187.14857	6.4
192.09229	1.8
193.10103	6.1
194.10966	3.2
195.11647	9.6
196.12480	2.6
197.13216	6.2
199.11087	2.2
199.14749	2.7
201.16315	2.5
206.10904	1.8
207.11655	3.0
209.13190	7.6
211.14719	2.4
223.14752	2.9
233.13217	1.5
375.26978	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.9
54.82193	1.0
55.05504	8.3
57.03436	8.8
57.07071	66.6
57.67727	0.7
59.82102	0.8
63.86080	0.9
67.05496	19.2
69.07052	10.5
71.08253	1.6
71.08620	33.3
77.89288	0.9
81.07043	20.6
83.08614	10.9
85.10176	17.3
95.08595	30.5
97.10120	3.8
98.98452	100.0
109.10146	11.7
114.13411	1.0
116.99504	2.2
123.11691	2.2
137.13269	1.4
144.76433	1.1
149.02325	21.6
150.02681	14.1
151.02820	5.0
151.14761	1.8
155.01031	94.4
213.38351	1.2
239.23669	8.6
285.80978	1.0
376.26270	1.8
392.30841	1.1
393.24203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.8
57.03429	8.3
57.07068	53.0
66.95471	0.9
67.05499	16.3
69.07059	8.2
71.08246	1.5
71.08617	34.9
71.32057	0.7
79.05447	1.4
81.07040	19.9
83.08602	12.4
84.49557	0.9
85.10173	15.5
89.98855	0.8
91.05444	1.2
93.07021	1.8
95.08588	25.2
97.10160	4.8
98.98450	100.0
101.17518	0.9
109.10140	11.4
116.99477	1.6
123.11666	3.7
149.02293	5.9
150.02661	5.2
151.02802	1.0
155.01024	94.9
190.15884	0.9
239.23618	11.5
286.88992	1.0
380.70923	1.2
393.24158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47789	0.6
54.81377	0.7
55.01856	0.8
55.05494	4.3
55.88568	0.6
57.03437	0.9
57.07050	3.1
58.07380	0.7
61.02860	0.5
66.64133	0.6
67.05482	1.1
67.06910	0.6
68.92731	0.5
69.03413	1.2
69.07053	0.9
71.08607	2.7
77.41399	0.6
79.05465	4.0
81.03395	0.9
81.07041	4.9
83.04966	0.9
85.02882	0.8
86.09688	1.0
91.05449	5.2
93.07026	3.1
94.04156	4.2
94.72829	0.7
95.04961	1.5
95.08585	1.1
97.06508	1.0
103.05449	7.0
103.56065	0.7
105.03343	0.8
105.07018	7.1
106.04140	0.9
107.04926	2.8
107.08546	0.9
109.06480	1.2
109.10166	1.0
115.05410	1.4
117.06939	1.1
119.04929	1.5
119.08541	2.5
120.08076	1.0
120.08882	0.6
121.02843	0.9
121.06491	1.3
121.10110	1.2
122.03642	13.8
123.04403	5.8
124.05170	3.4
127.85159	0.6
128.06189	1.1
129.06999	1.4
131.04910	7.1
131.08527	0.8
133.06470	7.6
133.10083	1.5
135.08022	3.2
137.05956	100.0
138.06308	0.7
138.09073	0.9
143.08560	1.2
144.05780	0.8
145.06451	2.5
147.04359	1.4
147.07986	2.6
149.02313	22.9
149.05904	0.8
150.02655	15.8
151.02855	3.8
151.03964	0.8
151.07498	4.5
152.04662	3.8
153.05522	0.7
157.06442	1.0
157.10161	0.8
158.07301	0.9
158.10519	0.8
159.07991	1.2
160.05217	0.8
161.05954	2.5
163.07495	13.8
165.09044	0.9
167.03320	0.7
167.06996	45.0
171.08073	1.0
173.05940	1.0
174.06761	2.4
175.07535	4.1
175.11116	1.0
187.07491	3.1
188.08289	1.0
189.09061	4.4
193.08583	4.5
194.12555	1.1
201.09073	2.9
203.10593	1.1
207.10136	0.7
233.11594	0.8
285.53641	0.7
296.12167	0.6
325.14240	2.4
357.17032	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	393.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.5
53.45512	0.4
55.01855	1.2
57.03445	0.5
57.07063	2.3
57.49853	0.5
61.22851	0.4
61.52566	0.5
61.81598	0.5
63.75107	0.4
65.08983	0.5
65.47932	0.6
68.05030	0.6
69.27642	0.5
70.06578	2.3
70.90720	0.6
71.08604	2.4
71.23782	0.6
72.08131	1.3
72.08956	0.6
73.02901	7.0
78.92272	0.5
79.05473	0.7
79.57710	0.6
81.07024	1.4
82.06606	0.6
84.08101	0.7
84.89120	0.5
84.89658	0.7
85.02880	3.2
91.05473	1.4
95.04946	1.2
103.05445	0.7
105.07018	1.2
105.43642	0.6
106.07298	0.8
107.04962	0.7
107.08556	0.8
109.06466	0.8
110.03609	1.0
111.04418	1.1
119.04900	1.2
121.02870	0.9
121.06439	0.9
122.05948	0.6
125.05959	7.3
129.65341	0.5
131.04898	0.6
135.08022	2.7
135.11789	0.6
136.08444	0.7
137.05960	11.9
137.23073	0.6
141.05447	0.7
149.02315	16.9
149.05899	1.1
150.02655	11.8
151.02867	2.1
151.03889	34.2
151.04965	2.6
151.07484	1.1
151.11189	0.6
155.08344	0.5
161.05956	0.7
163.07484	0.9
165.05461	0.6
167.03310	0.9
167.07042	4.5
168.07339	2.4
179.07025	5.2
179.10587	0.7
195.10182	3.6
196.10437	2.4
197.08028	10.0
197.11783	0.7
201.06564	1.9
202.07214	1.3
203.08028	1.3
204.08745	5.4
213.11110	2.4
214.11557	1.3
215.08038	1.3
216.08771	100.0
217.09511	3.6
218.10368	5.3
225.06395	12.9
226.07126	2.9
228.08719	1.3
229.09528	0.9
230.10309	11.2
240.08754	64.2
241.09387	2.4
246.09862	7.0
253.47800	0.6
258.09897	1.3
261.03046	0.7
268.08182	3.7
272.11423	4.3
300.10867	35.7
300.14297	1.1
333.12817	0.7
340.12357	0.6
343.11215	1.1
361.12482	3.1
367.86548	0.7
375.14117	3.2
375.91043	0.6
393.15106	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	393.0962
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
52.08929	0.5
52.09182	0.5
55.05512	1.2
57.03427	0.6
57.07067	2.3
67.05481	0.7
68.99774	7.0
69.07056	2.3
71.08617	1.1
76.56000	0.5
79.05461	1.1
81.07039	3.8
84.89016	0.6
91.05457	5.0
92.99761	4.2
93.07042	0.9
95.01305	0.5
95.04921	1.9
95.08580	1.3
97.10165	0.6
99.95892	0.5
102.87605	0.6
105.03381	0.6
107.04939	2.3
107.08591	0.7
111.11693	0.7
118.04140	0.6
119.04922	10.9
121.02840	18.7
123.00759	5.3
123.11697	2.3
124.01563	2.5
131.04893	3.5
139.00246	9.1
145.02849	5.6
147.11635	0.7
149.02316	16.3
150.02713	6.5
151.02831	0.8
152.01042	2.0
153.01828	3.1
157.06546	1.0
163.02539	0.6
163.03874	17.3
167.03398	0.8
168.00525	4.9
170.02055	6.4
171.04370	2.5
186.01582	3.9
187.03871	6.7
189.05479	0.7
195.04454	1.1
199.03737	2.0
200.04684	1.1
201.05397	0.8
211.03984	0.8
213.05466	1.0
229.04829	0.7
231.03091	0.7
232.25293	0.6
241.04926	2.5
242.05670	15.1
245.04375	2.4
253.04829	1.1
257.04391	23.6
269.04385	13.7
270.05170	36.0
273.03873	18.3
285.03918	4.0
286.04645	20.2
317.07999	0.9
319.09763	1.2
321.24319	0.9
329.07971	0.8
345.07559	1.1
347.09097	6.9
350.23489	0.7
363.08551	68.5
375.08585	21.1
393.09601	100.0
394.09869	0.7
404.94073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94576	0.6
56.96554	37.8
57.07066	11.6
58.07396	0.9
58.14651	0.5
65.03927	0.7
70.06557	1.3
71.08617	9.1
71.95265	4.9
72.08938	0.7
72.96022	3.2
74.97598	1.1
84.96035	0.9
89.26102	0.6
92.01716	0.7
100.21253	0.7
110.97533	8.2
121.02837	5.2
123.01188	0.7
128.98576	10.6
137.02777	0.9
146.99646	6.6
149.02319	100.0
150.02650	25.1
155.03780	1.4
159.03236	0.8
159.91696	0.7
167.02130	0.6
167.03258	5.1
168.03737	1.2
171.03223	0.8
173.41243	0.7
185.04807	3.1
189.04291	1.0
199.06355	3.2
203.05893	3.1
204.06651	1.6
205.07405	0.9
213.07996	2.8
217.07448	8.1
218.04631	3.4
222.07794	1.1
223.09967	3.6
225.07947	2.7
231.08980	7.7
236.05650	0.8
239.09543	5.9
241.11060	55.6
243.09093	1.2
251.09604	0.9
253.11171	1.1
257.10580	4.8
259.12109	92.3
264.12607	1.4
267.09042	0.9
269.10562	9.9
271.12119	2.8
282.13754	1.3
285.29810	1.3
287.11655	2.9
309.17191	2.9
329.32416	3.6
330.32629	1.2
333.17343	6.0
339.18149	1.0
351.18320	37.7
369.19394	95.7
387.20432	11.1
391.35986	7.1
392.21014	4.8
392.36319	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70161	0.4
54.81614	0.4
57.06816	0.5
57.07069	9.1
70.06589	0.7
71.08611	7.7
83.24268	0.4
92.09283	0.6
114.02271	0.4
114.47516	0.4
121.02816	3.8
121.03968	0.4
121.06465	0.4
149.02322	100.0
156.58644	0.4
162.05125	0.4
167.03365	5.3
199.75587	0.4
269.05630	0.4
273.33463	0.4
295.74927	0.4
328.32013	2.1
329.32364	0.8
378.32132	0.5
390.35803	2.0
391.24469	75.1
391.35635	2.4
399.38834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.269
Annotation	bhos#24
Peak:m/z	Relative Intensity
53.03918	0.6
53.93977	0.4
55.01863	0.4
55.05504	4.9
57.07066	10.5
61.28745	0.4
65.03934	1.6
67.05489	10.8
69.03410	4.4
69.07053	3.7
71.04972	1.0
71.08614	8.4
79.05467	9.1
80.56637	0.4
81.07035	21.5
83.04978	3.2
83.08614	1.0
85.02869	0.5
85.06516	0.8
91.05459	8.7
93.03374	0.6
93.07015	18.3
95.04951	2.9
95.08012	0.9
95.08585	22.8
97.06488	2.3
97.10126	0.7
101.97995	0.5
105.07008	18.6
107.04951	0.6
107.08571	12.6
109.06498	2.1
109.10125	7.9
111.08067	2.3
115.03912	2.1
117.06980	2.0
119.08554	14.1
121.02856	5.3
121.03608	0.5
121.06487	0.9
121.10113	10.6
123.08028	2.7
123.11671	2.8
125.05956	0.7
125.09598	1.0
129.05438	1.9
129.06960	0.6
131.08537	6.4
133.10101	10.4
135.11671	7.4
137.05937	1.1
137.09583	2.7
139.07512	0.6
141.09096	0.9
143.07162	0.5
143.08513	2.8
145.10117	5.7
147.07980	0.5
147.11665	11.6
149.02318	100.0
149.09602	2.2
149.13280	2.2
151.03908	0.7
153.09131	0.5
155.10548	0.6
157.10091	1.6
159.11665	5.7
161.13181	5.1
163.11090	0.8
163.14656	0.9
165.12666	0.7
167.03366	6.8
169.10161	0.6
171.11671	2.8
173.13234	2.7
175.14812	3.0
176.15129	0.6
177.12700	1.0
179.10713	0.6
185.13260	0.6
187.14772	2.4
189.12709	3.8
191.82825	0.4
205.15826	0.6
207.13788	6.4
211.16893	0.5
225.14795	3.8
235.29330	0.5
239.06615	0.4
243.15866	2.6
283.20544	2.0
289.21603	0.9
293.18045	0.5
301.21564	3.0
307.22650	2.1
319.22626	4.7
337.23520	1.8
351.84985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
51.97812	0.1
52.21205	0.1
53.03932	0.2
57.07064	1.0
58.07407	0.1
59.55091	0.1
65.03907	0.1
71.08614	0.9
75.22884	0.1
77.03900	0.2
78.28241	0.1
78.57311	0.1
79.05096	0.1
79.05477	1.4
81.07026	0.2
91.05418	0.1
92.08677	0.1
95.04945	0.5
103.05425	0.1
104.50281	0.1
105.03365	0.6
106.43832	0.1
107.04937	0.2
119.04981	0.1
121.02842	0.2
127.70554	0.1
131.04903	0.7
133.98001	0.1
135.04398	100.0
136.04732	0.4
137.05963	1.1
149.02327	9.3
149.05978	0.2
150.02670	2.0
161.05954	1.0
163.80379	0.1
167.03410	0.8
168.03769	0.1
168.27457	0.1
179.06999	2.0
182.24471	0.1
191.10594	0.1
342.33774	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	392.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70401	0.5
55.01873	0.9
55.70649	0.5
57.07073	9.0
57.82523	0.6
65.03944	0.8
67.05504	0.7
71.08616	10.5
72.08983	0.5
79.05480	0.8
81.07042	1.1
84.97121	0.6
87.04443	0.6
91.05470	1.4
93.03407	1.0
93.07010	1.4
105.07043	0.9
107.04934	1.5
107.08610	0.9
107.61749	0.6
109.06516	1.0
111.04422	1.2
115.05429	2.5
121.02864	5.3
121.06484	2.5
122.03652	1.5
125.05966	1.1
126.25118	0.6
131.04941	1.1
133.06464	0.8
135.04416	1.1
135.11728	0.9
137.05959	38.3
143.04906	1.3
146.03653	1.1
147.04434	0.6
149.02325	100.0
149.05986	3.6
150.02661	21.5
151.03868	0.7
151.07518	1.1
153.05467	3.3
161.05943	26.2
162.06688	0.6
163.07503	1.4
165.06950	8.2
167.03391	5.0
167.08525	1.1
168.03758	1.1
175.07547	4.3
177.05521	0.9
178.07709	0.7
179.07095	1.8
179.08542	2.9
181.06430	1.2
182.07266	2.5
188.04608	5.3
191.06978	4.3
193.06480	12.4
194.07266	1.0
196.08772	1.1
197.09593	3.8
203.07011	13.3
205.06776	0.7
205.08562	1.3
207.08026	3.3
209.06009	0.6
209.07977	1.0
210.06767	8.7
211.07611	2.4
221.05971	23.4
221.08046	1.5
222.06680	1.3
223.07706	0.7
224.08234	5.2
225.05615	0.7
225.09065	28.7
227.06918	1.4
234.06917	1.1
235.07487	3.9
237.08868	1.7
238.06197	9.3
239.07019	1.4
239.10631	3.6
240.07814	0.7
241.08492	0.7
241.70718	0.7
249.09192	5.0
251.07030	2.4
252.07800	7.2
253.08543	53.8
254.09082	2.8
255.06549	3.8
263.07010	1.1
264.58417	0.6
265.08505	1.2
266.09180	0.8
267.10107	15.8
269.08124	0.8
270.08813	7.2
277.08618	5.3
280.07260	1.3
285.11166	97.4
294.08945	3.1
295.09546	9.0
297.11176	6.4
299.12827	1.3
309.11206	10.9
311.09073	0.7
313.10681	0.9
325.10626	0.9
327.12207	78.5
345.13272	34.1
357.13254	1.2
392.24097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	0.4
53.03937	0.7
55.01866	0.8
55.05502	7.0
56.96564	0.5
57.03429	1.2
57.07063	1.1
61.02915	2.6
63.27006	0.5
63.51939	0.4
63.52330	0.4
65.03921	0.5
67.05494	5.1
69.03408	4.6
69.07053	23.6
71.04969	0.9
71.08613	0.6
73.02888	1.2
79.05471	8.9
81.03405	2.1
81.07037	17.2
83.08605	6.7
85.02892	15.6
87.04454	2.4
91.03950	0.8
91.05468	8.0
93.07020	19.4
93.07568	1.0
95.04971	1.2
95.08586	26.1
97.02889	4.0
97.10151	1.1
99.04433	0.7
103.05435	0.8
105.07011	35.5
107.04974	0.6
107.08582	31.0
107.09300	1.1
109.02863	0.7
109.10142	11.0
111.08054	0.7
117.06980	2.1
118.09827	0.5
119.08556	44.3
121.10127	28.8
127.03918	2.9
131.08554	2.3
133.10118	21.3
135.11671	10.1
145.04935	2.8
145.10097	0.5
147.11658	13.2
148.07526	0.6
149.02310	7.4
149.13251	10.2
160.12544	0.8
163.14810	3.3
173.13283	0.8
175.14790	100.0
176.15182	0.6
177.16347	66.0
178.16713	0.6
193.15865	7.7
251.11861	0.6
286.18018	0.6
390.22498	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.06815	0.8
57.07066	13.8
58.06599	3.7
67.03376	0.5
67.05494	0.6
68.45971	0.4
70.06575	30.7
71.08619	6.4
72.08149	3.5
84.08135	4.2
85.10172	2.0
86.09678	5.2
88.07606	9.0
98.26335	0.4
102.09167	4.3
114.09154	1.1
121.02823	1.0
132.10181	14.3
138.60571	0.5
146.11746	13.3
149.01114	1.1
149.02325	31.8
167.03311	2.5
240.26854	2.3
266.28415	2.2
284.29379	13.5
328.32037	63.0
349.16846	0.9
372.34735	0.8
390.35706	100.0
391.35803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17387	0.9
53.03930	2.3
54.81742	0.9
55.05502	100.0
57.03418	1.1
59.04991	19.9
65.62081	0.8
67.59432	1.1
69.03402	4.1
69.07016	1.0
71.04983	11.4
79.05462	4.5
81.03378	1.9
81.07030	2.6
83.04466	1.4
83.04959	41.7
85.02892	15.9
91.05464	15.9
93.07026	25.7
94.97222	1.2
95.04966	2.6
97.02879	3.8
99.04436	38.3
100.80655	1.1
101.05996	67.3
101.16772	1.0
105.07008	70.4
107.08582	1.8
113.06030	1.4
116.87160	1.0
119.04908	11.6
119.08560	41.4
127.03899	2.0
129.06972	4.7
131.08524	5.6
133.10098	71.1
141.06947	1.5
142.07768	25.8
145.04955	1.2
145.10178	1.6
147.11655	23.6
157.10094	50.3
163.05905	1.3
175.11139	97.3
184.77489	1.0
193.12206	86.6
382.72858	1.1
382.84140	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.05503	100.0
57.03432	2.0
59.04988	22.1
60.22757	0.7
61.02901	1.5
67.05495	1.8
67.73487	0.8
69.03415	4.8
69.07056	0.9
71.04980	10.5
78.77731	0.7
79.05481	3.6
81.03412	1.6
81.07040	2.1
83.04963	43.4
85.02894	22.0
85.90176	0.8
91.05462	15.8
92.08751	1.1
92.62894	0.9
93.07020	21.1
95.04952	1.7
97.02872	4.0
99.04432	34.9
101.05993	60.2
103.05437	1.1
105.07012	74.6
105.16948	1.1
107.08576	3.5
109.02867	1.1
109.06500	1.6
110.19307	0.7
112.03057	0.8
115.05505	1.2
117.06969	1.5
117.93346	0.8
119.04904	11.8
119.08553	41.0
123.27111	0.8
127.03877	3.0
129.06999	6.1
130.61462	0.8
131.08540	8.9
132.88538	0.8
133.10106	71.0
137.05963	1.2
141.06987	1.8
142.07753	30.6
142.08842	1.4
145.04913	3.3
145.10155	1.9
147.08022	1.1
147.11659	21.8
155.08609	1.1
157.10097	42.8
175.11147	90.5
180.66646	0.8
193.12206	83.0
384.22357	0.9
408.32486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
54.81116	1.2
55.01860	1.3
55.05508	86.0
57.03424	4.2
58.70421	1.0
59.04769	1.0
59.04991	18.1
61.02903	5.0
67.05475	1.7
69.03423	12.2
71.04976	17.1
71.08580	1.1
71.19973	1.0
73.02903	1.6
79.05472	6.7
81.03419	4.8
81.07021	1.2
83.04968	36.4
85.02892	46.3
91.05460	17.4
93.07026	30.6
94.46548	0.9
95.04966	2.0
97.02883	14.5
97.06520	1.2
99.04435	53.5
101.06004	55.1
105.07014	80.7
107.08564	9.8
109.02859	6.1
109.06477	4.9
117.07024	1.6
119.04888	9.4
119.08562	62.9
127.03914	7.8
129.06966	4.5
131.08572	9.2
133.06473	1.4
133.10107	83.6
134.10419	1.8
137.09612	1.5
138.09917	2.1
141.06976	2.5
142.02434	1.5
142.07773	25.9
145.04926	2.6
145.10149	2.3
147.11688	22.1
151.11176	1.1
157.10098	45.5
173.09525	1.5
175.11154	97.5
180.08652	1.3
181.12219	2.0
193.12212	100.0
309.75638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.43051	0.5
55.01852	1.1
55.03954	0.5
55.05504	12.5
57.03421	3.6
59.04986	1.4
61.02911	3.0
61.03991	0.6
61.78514	0.5
67.05482	4.1
69.03414	7.4
69.07059	5.5
69.30888	0.5
69.44870	0.5
70.06555	1.0
71.04987	1.9
72.90723	0.5
73.02901	3.3
79.05483	8.0
81.03398	3.7
81.07037	28.5
83.04971	7.3
85.02893	21.6
85.03327	0.6
85.61756	0.6
87.04458	2.3
91.05464	14.7
93.07024	26.3
95.04950	3.5
95.08579	7.1
97.02869	5.6
97.06519	1.5
99.04468	2.0
100.11251	1.2
101.02344	0.7
101.06003	7.5
105.07014	45.3
107.08577	12.2
109.06503	1.2
109.10160	1.3
113.60619	0.7
115.05446	0.6
117.06984	0.8
119.04926	3.2
119.07774	1.1
119.08557	32.9
119.09394	1.4
120.19251	0.5
120.52040	0.6
121.06418	0.6
121.10105	5.9
123.08086	0.9
127.03904	2.8
129.07013	1.2
131.08563	1.3
133.06470	0.9
133.10081	5.9
135.11742	0.8
137.05977	4.5
137.09596	1.4
142.07751	1.3
145.04974	1.1
145.10097	4.2
147.11668	100.0
149.13261	1.5
151.07521	1.5
157.10080	5.2
165.12746	6.0
175.11172	17.0
175.14815	1.5
193.12201	34.6
305.36853	0.7
337.16525	0.7
355.21182	2.2
390.26880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42196	0.7
50.56074	0.7
53.03932	1.4
55.05508	100.0
57.03424	1.5
59.04992	19.3
60.25549	0.7
61.02893	1.1
63.45318	0.7
67.05474	1.0
69.03403	1.9
71.04977	12.3
73.06553	1.0
79.05458	3.5
81.03394	0.8
81.07023	3.4
83.04967	46.3
85.02894	10.1
87.04447	0.8
91.05463	17.2
92.08739	1.1
93.06481	1.5
93.07027	26.3
95.04958	3.7
97.02864	1.4
97.06490	1.0
99.04440	25.5
101.06002	61.6
103.05477	0.9
105.07015	78.3
107.08569	4.3
109.06503	2.0
115.05412	1.1
117.06969	3.0
119.04920	13.2
119.08563	45.4
129.06973	6.2
131.08545	8.3
133.10112	90.1
141.06998	1.8
142.07762	33.6
145.10127	4.2
147.08026	1.0
147.11665	25.2
157.10114	49.5
173.09575	0.9
175.11157	98.6
193.12224	97.8
296.68243	0.8
371.57358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	42.0
56.96835	1.4
65.21185	0.7
71.95255	5.7
72.96032	1.2
74.97580	1.4
83.61720	0.6
84.96017	2.8
86.52329	0.6
87.96436	0.7
97.96788	10.9
98.97575	2.8
102.22295	0.7
110.97540	6.1
115.00713	0.9
115.97848	7.1
116.98656	0.7
128.98582	9.0
129.99355	0.8
133.98839	3.0
134.99513	0.7
137.02704	1.0
143.00241	0.7
143.03825	0.8
146.99619	9.6
148.00360	0.8
149.01204	1.1
149.02342	2.8
155.00096	2.6
155.03819	3.0
160.00414	2.9
161.01186	1.0
165.00703	1.4
169.01657	1.1
171.03265	3.6
173.01202	4.3
173.04932	0.9
183.03223	1.3
185.01204	0.9
185.04869	4.4
185.98238	1.1
187.02780	1.7
189.04297	1.6
191.02232	1.0
198.05635	2.8
199.02779	3.9
199.06447	3.6
201.04355	2.7
202.05177	0.8
203.05896	8.5
205.07458	1.6
211.06436	1.4
213.04399	1.6
213.07907	7.7
216.03062	3.7
216.06627	1.5
217.03886	2.4
217.07440	7.3
221.06729	0.9
223.02832	1.2
223.08302	1.4
223.10181	1.5
225.07932	3.7
227.05807	1.4
227.09564	1.1
229.07603	0.8
231.05244	0.9
231.08992	8.8
237.04282	0.9
239.09485	13.0
241.03886	0.8
241.07411	1.6
241.11055	41.9
242.08168	6.2
243.08905	3.9
244.09798	3.1
245.06929	1.1
245.10555	2.8
251.09532	1.7
253.11017	3.8
255.05316	2.8
255.09093	3.3
257.10544	9.3
259.12115	78.0
260.09229	4.9
260.12210	0.9
262.08646	0.9
264.12543	1.4
267.09058	3.0
269.07611	1.1
269.10443	7.7
271.12201	1.5
279.09079	3.7
280.09644	6.0
282.13641	1.1
285.10043	3.4
287.11646	4.7
289.14682	0.9
297.10025	7.5
298.10806	7.2
307.15799	3.7
315.11151	2.7
316.11972	4.2
325.17041	0.9
331.15698	9.1
337.16663	1.0
349.16788	56.6
358.50702	0.8
367.17838	100.0
368.18301	0.8
372.18762	0.9
385.18887	7.0
390.19385	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59050	0.9
56.96555	78.4
56.96838	2.6
57.19007	0.9
59.90972	0.9
65.54723	1.0
67.05495	1.1
71.95260	4.5
72.96043	2.3
81.07005	1.9
84.96054	1.2
92.98668	1.2
105.00148	1.4
110.97516	4.1
115.97876	1.3
116.98622	1.5
123.01193	2.7
128.26711	1.2
128.98570	5.0
133.01726	1.6
137.02705	1.7
139.00630	1.6
141.02243	1.7
146.99672	8.0
149.02335	2.0
151.00592	1.3
153.02325	1.2
155.03784	5.8
157.01726	2.0
159.03310	2.2
167.03619	1.6
169.01688	1.5
169.05360	1.2
171.03317	11.0
173.04839	2.7
175.11192	1.1
181.01630	1.1
183.03282	1.9
185.04832	12.4
189.04352	13.6
195.06873	2.1
197.04871	2.2
199.06430	11.6
201.04329	2.2
203.05885	14.4
209.04797	2.1
211.06413	5.8
213.07922	19.3
217.05542	1.3
217.07494	22.2
221.06818	2.5
225.07959	14.1
227.05824	1.8
227.09485	5.8
229.07545	2.3
231.06842	5.6
231.08972	41.0
237.07971	6.9
239.09550	8.1
243.08987	12.6
245.10596	6.9
249.07948	5.7
251.09480	9.2
255.08975	26.6
257.10556	6.2
259.12143	1.8
267.08972	46.3
269.10541	100.0
273.10007	22.0
278.10449	1.2
279.08783	1.3
285.10025	66.1
287.11615	51.6
292.12143	2.1
297.09967	1.1
303.11136	5.8
331.15631	6.9
349.16769	22.0
367.17844	46.6
385.18900	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	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75590	0.9
52.26078	0.8
56.96560	100.0
64.33091	1.1
71.95247	8.4
72.96008	1.8
74.97598	1.4
85.24991	1.0
97.96750	1.3
98.97581	1.9
101.98540	1.2
110.97543	1.3
116.98602	1.2
121.82026	1.2
123.01229	1.4
128.98579	10.1
133.01740	2.1
137.02751	2.4
139.00642	1.3
141.02196	1.8
145.01736	1.3
146.28488	1.0
146.99640	7.5
147.03307	1.1
153.02249	1.9
155.03763	6.1
157.01756	7.2
159.03252	5.0
161.01215	4.2
165.00758	1.3
167.03786	4.4
169.01761	6.1
169.05284	1.3
171.03252	13.8
173.04820	4.4
175.02718	2.0
181.05334	1.1
183.03255	2.6
185.04857	12.4
187.02806	2.0
187.06427	1.5
189.04364	15.8
191.05894	1.3
193.05289	1.4
195.06972	4.0
197.04881	2.5
199.06403	17.0
201.04333	1.5
202.05270	1.4
203.05875	21.7
205.07436	1.7
207.05293	1.3
207.07059	2.1
209.04906	1.9
211.06445	13.3
213.07913	16.0
217.05409	2.4
217.07436	29.4
221.06816	1.7
225.07942	13.6
227.09569	6.3
229.07535	6.1
231.06946	6.3
231.09058	21.4
235.08470	1.7
237.04175	1.5
237.07950	6.7
239.09425	9.9
241.07455	1.4
241.11058	1.7
243.08945	11.6
245.10542	8.1
249.07884	9.8
251.06056	1.8
251.09497	12.2
255.08981	34.9
257.10562	4.5
259.12100	1.4
261.07803	1.6
267.08963	58.5
269.10550	77.4
273.10040	27.9
278.10648	1.5
279.09183	2.6
285.10034	88.4
287.11633	33.3
292.12280	1.7
303.11176	7.7
331.15720	8.9
349.16757	33.0
367.17868	73.0
385.18808	8.3
389.22894	53.0
390.23297	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01858	1.3
55.05505	11.0
57.03429	9.3
57.07063	3.5
59.04983	3.5
61.02909	3.0
63.75009	0.6
64.33577	0.7
65.03893	0.7
67.05500	6.1
68.94489	0.8
69.03417	7.6
69.07050	9.3
71.04977	17.5
71.38829	0.7
73.02876	0.7
75.04444	1.2
75.21149	0.6
79.05475	8.0
81.03407	3.6
81.07037	19.3
83.04960	4.8
83.08612	9.3
85.02423	1.0
85.02892	18.0
85.06535	7.2
91.05467	10.2
93.07023	18.2
95.04945	97.7
95.08577	11.7
97.02869	4.2
97.06506	25.6
97.10125	1.7
99.04439	20.5
99.08075	12.1
105.07014	35.2
107.08572	26.0
109.06502	44.1
109.10137	11.5
111.08083	6.6
112.51869	0.8
113.09602	1.4
115.07562	3.9
117.07034	0.7
119.08556	24.8
121.06541	0.8
121.10125	37.0
123.08042	15.0
123.11704	6.4
125.09606	6.0
127.03888	1.2
127.07521	4.5
131.08548	14.1
133.10104	71.8
135.08025	8.4
135.11674	6.4
137.09566	1.0
139.11195	6.2
143.10681	3.8
145.10115	8.1
147.11673	53.8
149.09602	3.6
149.13188	7.0
151.11176	3.4
153.09079	35.7
158.10878	3.8
163.14796	7.4
165.12729	10.1
167.14285	1.4
171.10127	9.7
173.13216	22.2
191.14275	29.8
209.15341	58.1
227.16380	100.0
284.38181	0.9
294.45187	0.8
340.79282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81588	0.2
55.01841	0.2
55.05496	0.3
63.91927	0.2
65.03944	0.2
66.06345	0.2
67.05480	0.2
69.03423	3.5
77.85710	0.2
79.05486	0.3
83.04962	1.7
85.02896	5.2
87.00840	0.4
91.05460	0.8
93.03406	0.2
94.04162	0.4
97.02869	0.3
101.06016	0.3
103.05458	3.7
107.04964	1.4
109.67771	0.2
111.04440	4.6
119.04906	0.4
121.02771	0.2
121.06506	0.3
122.03625	1.7
129.05469	4.2
131.04921	6.0
135.08011	0.3
137.05963	100.0
138.06329	0.8
147.04427	0.3
147.06520	3.3
149.02303	0.4
151.07547	0.4
163.07509	3.1
163.60678	0.2
165.09079	2.2
175.06039	1.4
175.07471	0.3
181.08566	10.1
181.57185	0.2
193.04941	0.4
193.08603	0.7
211.09702	0.3
268.88556	0.2
300.08527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04374	0.3
56.96288	0.7
56.96562	19.3
59.77094	0.4
61.77728	0.4
67.05460	0.7
71.95240	1.8
74.22651	0.4
74.97584	0.5
80.79923	0.4
84.95994	0.6
91.05486	0.9
92.67855	0.4
95.08599	0.5
98.97551	3.0
105.07012	0.6
110.97559	3.8
116.98579	2.1
127.00611	0.7
128.98582	7.6
131.00188	0.9
133.10057	1.5
134.99655	0.6
143.00150	1.0
145.01709	0.7
146.99664	7.7
147.03249	0.6
149.01216	1.0
149.02327	0.7
153.02196	0.5
155.03775	1.0
161.01208	3.3
161.04858	0.5
165.00807	0.7
167.03676	0.6
169.01704	0.6
171.03259	2.0
173.04807	0.7
175.02792	0.8
183.03253	0.9
185.04848	4.8
187.02773	0.8
187.06459	0.6
189.04340	3.7
191.05911	0.9
193.03789	0.5
196.37468	0.4
197.04819	1.1
199.02721	0.7
199.06389	2.7
201.04370	1.7
201.07999	0.9
203.05904	9.9
205.07446	2.9
211.06427	2.0
213.07866	0.7
215.05861	0.8
215.09503	0.6
217.07501	4.5
219.08884	0.8
221.06863	1.0
223.02768	1.7
223.06483	1.0
223.08551	4.3
225.08075	0.8
229.07433	1.0
237.04288	5.3
237.07893	1.0
238.05045	0.5
239.09509	3.2
243.09109	1.9
249.08022	0.6
251.05716	0.6
253.11179	0.6
255.05373	3.5
255.08957	5.3
257.10623	1.9
269.06812	0.7
273.09998	3.8
279.09113	1.0
280.09821	2.2
281.10580	1.0
285.09885	0.6
293.10449	0.9
298.10757	2.0
299.11752	1.7
307.15717	0.7
311.08017	0.6
311.11514	0.8
331.12494	0.6
331.15738	32.9
349.16815	100.0
367.17932	22.0
372.18301	0.7
385.15015	0.7
390.19421	1.6
390.32144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Debiloside B
Peak:m/z	Relative Intensity
51.06456	1.2
53.03942	1.9
54.50221	1.4
55.05502	9.4
57.03429	8.9
57.07048	2.5
59.04981	6.1
67.05491	10.0
69.03414	16.4
69.07054	9.8
71.04979	20.3
73.02896	1.4
73.53514	1.3
79.05467	13.4
81.03396	3.8
81.07040	27.9
83.04958	9.7
83.08607	13.3
85.02894	32.8
85.06522	13.1
91.05466	14.0
93.07027	27.5
94.83056	1.4
95.04946	100.0
95.08572	16.3
97.02861	7.5
97.06511	38.6
99.04431	41.4
99.08083	10.6
105.07010	42.6
107.08588	39.2
109.02903	1.9
109.06496	65.2
109.10126	20.4
111.08052	7.6
115.07568	5.8
119.04897	1.7
119.08552	21.3
121.10117	50.3
123.08031	15.7
123.11671	12.6
125.09624	7.3
129.96170	1.4
131.08559	19.9
133.10103	79.3
135.08023	11.5
135.11685	7.1
137.09602	1.9
139.11150	7.9
143.08546	1.9
145.10063	11.3
147.11664	48.8
149.09682	1.7
149.13274	10.4
151.11134	8.4
151.12297	2.3
153.09090	41.5
158.10927	3.0
163.14809	8.3
165.12717	8.7
171.10133	8.8
173.13242	32.5
191.14272	29.6
209.15356	55.5
227.16393	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
50.61587	0.5
53.03937	0.8
55.01870	0.9
55.05502	13.8
57.03429	7.8
57.07065	3.6
59.04986	3.3
61.02915	2.5
62.21287	0.6
67.05491	6.2
69.03419	9.2
69.07056	6.4
71.04971	9.3
75.04475	1.2
79.05465	7.1
81.03399	2.8
81.07041	21.7
83.04974	5.4
83.08598	11.7
85.02892	21.8
85.06533	7.6
87.04449	0.8
91.03957	0.6
91.05463	9.0
93.07029	19.7
95.04950	100.0
95.08591	13.0
95.48974	0.7
97.02867	5.8
97.06511	27.4
99.04429	11.6
99.08081	5.3
105.07015	31.2
107.08582	24.7
107.27042	0.9
109.02850	1.3
109.06502	54.4
109.10133	14.0
111.08059	7.3
111.55946	0.7
113.09621	1.1
115.07565	3.1
117.06980	1.0
119.08561	18.6
119.67729	0.7
121.10120	32.9
123.08044	16.2
123.11690	6.0
125.09619	4.6
127.03904	1.6
127.07497	1.3
130.07680	0.7
131.08542	15.1
133.10106	56.5
135.08041	8.3
135.11676	4.7
137.09679	0.7
139.11128	4.7
143.08554	1.6
144.09337	1.1
145.04990	0.8
145.10135	7.4
147.11670	37.2
149.09610	4.1
149.13223	6.3
151.11179	3.2
153.09091	30.9
154.12071	0.6
158.10870	5.0
163.11151	0.8
163.14815	4.1
165.12732	15.9
167.10640	0.9
171.10150	9.9
173.13226	22.6
191.14268	22.9
209.15337	48.4
227.16380	56.5
287.22537	0.7
355.88956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03951	1.4
55.01865	1.5
55.05509	13.9
57.03427	6.4
57.07068	2.9
59.05005	1.6
61.02916	2.6
65.03933	1.6
67.05490	7.9
69.03413	26.9
69.07055	10.7
71.04974	11.8
79.05478	9.4
81.03423	2.7
81.07035	17.6
83.04971	13.0
83.08613	7.9
83.43768	1.2
85.02895	32.7
85.06526	2.4
87.04454	2.2
91.05465	7.7
92.09208	2.2
93.07030	28.8
95.04947	28.4
95.08586	20.5
96.08851	1.9
97.02877	9.8
97.06501	9.0
97.10114	3.4
99.04430	8.9
99.08080	8.2
105.07016	20.4
107.04952	7.8
107.08583	43.3
109.06520	16.0
109.10155	10.4
111.08070	11.1
117.06984	1.9
119.08548	11.7
121.06482	16.4
121.10123	41.2
123.08054	8.7
123.11681	13.6
125.05957	2.1
125.09607	61.1
125.10535	2.2
130.07800	2.9
131.08545	12.8
133.10107	21.8
135.08040	9.6
135.11719	9.0
137.05934	2.0
137.09647	2.0
139.07553	2.4
143.08566	2.2
145.10117	37.9
147.08073	2.8
147.11682	16.1
149.09599	100.0
149.13271	10.0
151.07426	1.7
151.11165	22.6
153.09094	24.8
154.09906	2.7
155.08577	1.9
158.07268	3.0
158.10916	2.2
163.11270	6.4
163.14781	11.7
165.12718	8.9
167.10631	17.8
171.10182	1.9
173.09596	15.3
173.13193	16.3
191.10651	22.3
191.12630	2.4
191.14278	35.0
209.11795	10.8
209.15350	89.7
227.12770	3.6
227.16389	25.0
353.42526	1.7
374.72998	1.8
389.17377	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	389.2169
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.05510	16.2
57.03429	2.3
57.07066	4.1
58.97314	0.8
61.02908	1.4
61.57634	0.9
67.05478	7.0
67.42304	0.8
69.03418	31.3
69.07056	9.4
69.66898	1.0
71.04975	8.6
79.05477	4.4
81.03407	1.5
81.07050	12.1
83.04958	13.1
83.08598	7.9
85.02884	9.4
85.06526	6.3
86.09717	1.4
91.05467	2.0
93.07024	15.2
95.04952	5.4
95.08589	18.9
96.08910	2.3
97.02852	3.8
97.06506	4.1
97.10139	11.8
99.04441	11.1
99.08080	10.6
105.07022	8.9
107.08586	30.3
109.06509	7.7
109.10151	12.6
111.04398	1.5
111.08074	19.4
113.05981	4.8
119.08538	3.7
121.06486	1.4
121.10135	23.6
123.08068	6.8
123.11664	2.2
125.05986	5.7
125.09609	92.8
127.07531	1.4
131.08563	4.8
133.10123	8.4
135.08017	10.2
135.11658	4.5
135.88509	1.1
137.09610	6.6
139.07513	6.4
139.11151	2.0
145.10170	1.8
147.04419	1.3
147.11684	5.7
149.09601	97.1
149.13173	10.3
150.09920	1.3
151.11174	25.3
153.09090	26.4
154.09917	7.3
158.10939	2.1
163.14816	10.6
165.12695	1.8
167.10649	1.8
173.13254	10.4
191.14294	32.6
191.15900	1.6
206.91667	1.1
209.15352	100.0
227.16385	16.8
389.17548	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Icariside B5
Peak:m/z	Relative Intensity
55.05502	21.6
57.03421	6.4
61.02913	6.1
67.05493	14.6
69.03408	17.4
69.07047	5.7
70.06585	4.2
71.04974	14.2
76.02225	21.4
79.05492	15.0
81.03394	7.2
81.07033	32.4
83.04964	15.0
83.08597	13.0
83.24569	3.4
84.04510	3.0
85.02887	25.6
85.06535	3.5
87.88239	2.7
91.05473	23.9
93.07034	28.9
95.04948	100.0
95.08579	19.3
96.20208	2.6
97.02849	5.0
97.06509	26.0
99.04433	20.3
99.08067	6.4
105.07018	38.7
107.04932	4.6
107.08570	33.0
109.06510	47.2
109.10159	20.7
111.08045	6.8
116.01674	3.4
117.07036	3.0
117.74887	3.0
119.07796	2.6
119.08553	26.1
121.06470	2.9
121.10110	39.1
123.08042	17.9
123.11688	4.6
127.03926	3.4
131.08539	26.3
133.10112	68.5
135.08066	11.4
145.10115	11.2
147.11668	32.6
149.09578	15.6
149.13182	3.4
151.04033	4.6
153.09071	33.9
158.10849	3.2
162.02147	4.2
163.14804	4.5
165.12755	17.2
171.10033	3.2
173.13245	31.6
179.04828	11.7
191.14299	23.7
193.12410	4.0
209.15311	49.1
211.13246	4.2
227.16389	57.2
247.29340	3.0
389.15549	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	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05510	3.6
57.03418	0.6
57.07072	0.8
67.05485	1.0
69.03427	0.8
69.07047	3.7
71.94671	0.4
73.74717	0.5
79.05473	0.7
81.03404	0.4
81.07035	3.1
83.08594	4.7
85.02876	0.9
91.05498	0.8
93.07025	1.2
95.04960	1.0
95.08578	4.3
97.02892	0.5
97.10131	0.9
104.15015	0.5
105.06986	0.6
107.08600	0.9
108.08124	0.6
109.06496	2.0
109.10145	0.6
110.09666	10.3
112.07596	0.5
119.04913	0.6
119.08576	0.8
121.06488	0.5
123.08045	2.8
124.11217	1.1
137.05957	2.8
137.08340	2.7
137.13193	1.1
138.09119	5.8
138.29727	0.6
143.08408	0.5
145.06599	0.5
147.04395	1.1
147.11736	0.5
149.06099	0.5
150.09134	0.6
165.12772	0.9
173.54590	0.5
180.17442	21.0
198.18521	4.8
208.14912	1.0
208.16931	42.2
226.17981	100.0
264.11948	0.5
327.52383	0.5
349.11868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1054
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
51.69215	0.4
52.34879	0.5
53.44807	0.5
55.05494	0.9
56.94276	0.4
58.93019	0.5
67.05476	1.1
69.07056	1.2
71.08602	3.0
71.14832	0.5
75.48696	0.5
79.05463	2.4
81.07037	3.5
83.08598	0.9
91.05459	4.4
91.64240	0.5
93.07006	1.2
95.04933	1.1
95.08579	2.7
97.10144	0.7
99.00783	0.9
99.08066	1.2
104.04980	11.2
105.05756	33.0
106.06555	5.7
107.07310	2.4
107.08588	1.0
109.06493	2.8
109.10123	1.0
116.04991	0.8
117.05753	1.4
118.06516	6.4
119.03664	12.8
119.08578	0.7
120.04449	15.9
121.06483	4.6
123.06773	6.6
130.02856	1.4
132.03700	0.6
132.04422	21.6
133.05209	54.9
134.02391	1.3
134.04297	0.6
134.05995	10.2
139.00607	0.7
146.05975	5.4
148.03867	3.2
149.04704	53.8
162.05472	21.0
162.06682	0.6
163.06253	100.0
164.07033	29.5
165.12697	1.2
174.05502	0.6
193.01775	0.7
194.08089	29.0
210.93349	0.6
218.08356	2.3
233.09187	0.6
241.05145	0.8
243.07784	1.0
243.60320	0.6
253.05246	3.5
261.08917	2.5
291.23209	3.1
296.05789	16.4
296.80493	0.6
309.24149	3.3
324.05371	1.0
353.26682	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	388.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
57.03427	0.3
57.07054	0.3
59.63319	0.3
67.05487	2.1
69.03414	4.8
69.07051	1.9
70.06573	1.9
71.04985	0.4
79.05487	2.7
79.49021	0.3
81.03408	0.5
81.07041	6.7
81.92197	0.3
83.04964	0.6
83.08601	0.7
85.02882	2.2
86.09695	0.4
91.05461	4.2
93.07021	2.9
95.04937	0.4
95.08569	1.2
97.02854	0.6
105.07018	5.9
107.04935	1.4
107.08575	18.0
109.06495	6.9
109.10145	4.7
115.05443	1.6
117.06992	2.5
118.47060	0.3
119.04926	0.5
119.08547	4.1
121.06478	1.4
121.10120	10.2
122.07283	4.8
123.07998	0.7
131.08572	1.9
133.10104	100.0
134.10471	0.4
135.08025	14.5
135.11688	0.8
137.05984	1.3
137.09595	80.7
143.08560	0.5
145.10110	1.5
147.04396	1.9
147.11642	2.4
149.13243	12.1
151.11168	0.4
158.10838	0.7
163.07492	0.7
163.14799	1.8
173.13222	5.7
180.27826	0.4
191.10655	0.7
191.14275	34.2
209.15324	11.7
210.02020	0.5
277.08188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.05505	3.8
57.07049	5.3
57.96892	0.8
64.78093	0.8
65.78501	0.7
66.84399	0.7
67.05495	22.4
69.03407	1.7
69.07069	0.8
71.91135	0.7
74.06560	0.8
74.38458	0.8
74.61621	0.8
79.05476	1.4
81.07024	4.2
83.04964	1.0
85.02866	1.4
85.06531	10.3
85.26896	1.0
91.05437	1.8
93.07034	9.1
95.04932	1.3
95.08585	100.0
105.07007	5.1
107.08575	10.0
109.06496	1.4
109.10152	1.4
113.05998	7.2
116.98526	0.9
119.08549	16.2
121.06552	0.9
121.10140	6.9
123.08048	31.2
123.11681	1.7
131.08575	1.5
133.10081	3.5
135.11679	9.7
137.09665	0.9
140.75357	0.9
147.08028	1.5
147.11652	5.8
149.09605	22.0
151.14807	1.4
161.13217	8.5
163.11195	3.5
164.59769	0.9
165.12744	3.5
171.11516	1.0
171.17572	1.1
179.14204	1.8
189.12723	7.9
207.13757	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
51.02353	0.3
53.03925	0.6
55.01862	1.2
55.05505	4.5
55.47386	0.3
57.03427	2.1
57.07059	0.5
59.04716	0.5
59.04992	9.6
60.84533	0.3
61.02902	1.2
61.78346	0.3
65.03918	0.5
67.05489	9.8
69.03411	5.4
69.07051	2.2
71.04974	0.7
72.08146	0.3
73.02893	0.4
79.05475	5.7
81.03403	2.4
81.07043	6.0
83.04958	2.1
83.08605	0.3
85.02888	11.1
85.06504	0.3
91.05456	9.2
93.07026	10.7
95.04947	6.7
95.08583	8.4
97.02861	2.8
97.06528	0.7
99.04400	0.4
101.06005	2.2
103.05408	0.6
105.07013	21.7
107.04943	5.8
107.08577	36.0
109.02856	1.5
109.06505	18.0
109.10145	16.4
111.04411	0.5
111.08082	0.6
113.06017	0.4
117.07002	1.3
119.04906	0.4
119.06042	1.2
119.08556	20.0
121.06483	4.9
121.10109	4.7
122.07261	3.7
123.08047	27.0
123.11617	0.4
125.05990	0.6
125.09608	1.5
127.03903	0.6
128.06189	0.4
129.07036	0.4
131.08531	1.4
132.09349	0.4
133.06465	2.9
133.07491	0.6
133.10092	5.9
135.08037	10.4
135.11662	13.6
137.09596	100.0
143.08537	1.4
145.04930	1.4
145.10107	2.0
147.06940	0.4
147.07994	2.9
147.11655	9.6
149.09596	5.5
151.07512	3.8
153.09093	5.4
155.81241	0.3
156.09288	2.4
159.08101	0.4
159.11636	1.5
161.09607	0.7
161.13220	12.5
163.11171	0.5
171.11629	3.3
174.10422	0.5
177.12718	0.7
179.14284	0.5
189.12706	7.8
197.26344	0.3
207.13779	11.1
225.14743	2.8
266.44760	0.3
319.05914	0.3
342.09308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.57985	0.5
53.03920	0.8
54.21394	0.6
55.05500	1.7
57.03420	1.3
57.07059	4.0
58.82756	0.7
61.02908	0.8
67.05498	5.9
69.03417	4.2
69.07057	1.0
70.06569	1.2
71.04980	1.0
79.05470	4.4
81.03390	0.9
81.07039	29.9
83.04962	2.8
83.08622	0.7
85.02892	100.0
85.06545	0.9
85.56736	0.7
86.09691	0.8
91.05474	6.4
93.07024	6.3
95.04955	1.2
95.08582	8.5
97.02876	2.8
105.07015	11.8
107.08589	8.1
109.06495	4.6
109.10145	12.4
119.08566	14.3
121.06495	0.9
121.10126	10.8
123.08058	4.1
123.11687	74.1
125.05991	7.2
131.08565	4.2
133.06506	0.9
133.10106	1.2
135.07986	0.8
137.09663	0.9
145.10094	4.7
147.08029	3.7
147.11667	10.7
149.09619	7.3
151.07523	4.2
156.09328	3.4
159.07959	0.8
161.13223	1.3
163.03799	0.7
163.11198	1.1
164.07095	0.9
165.12762	1.1
171.11681	1.2
174.10402	0.8
189.12708	9.7
207.13776	30.5
225.14763	7.4
345.29669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13773	0.2
53.00283	0.2
53.03922	0.2
54.82441	0.2
55.01851	0.4
55.05503	0.2
56.96560	0.3
57.03423	0.8
57.52668	0.2
61.02911	1.2
65.03915	0.3
65.31835	0.2
67.05507	1.5
69.03414	2.5
69.07038	0.4
69.83786	0.2
70.06563	1.0
71.04971	1.1
72.08126	0.3
73.02890	0.3
73.06794	0.2
79.05466	0.3
81.03417	1.4
81.07034	0.4
83.04967	0.5
85.02886	7.3
86.09695	0.9
87.04447	0.3
91.05455	0.3
93.07013	0.8
95.04945	100.0
97.02861	2.2
97.06539	0.3
98.97536	0.2
99.04450	2.8
105.06998	1.5
107.04872	0.2
107.08586	0.9
109.02888	0.5
109.06502	0.8
109.10151	1.0
111.04443	0.2
111.08082	0.2
115.05320	0.2
117.07008	0.5
119.04895	0.4
119.08559	1.3
121.06438	0.2
121.10123	1.2
123.08022	0.4
127.03905	0.5
133.06483	0.3
133.10126	0.3
135.08040	0.8
137.05978	0.8
137.09634	0.4
141.09116	0.3
145.05058	0.2
145.10182	0.4
147.04376	1.5
147.11664	0.4
149.09590	1.5
151.07509	0.4
151.51923	0.2
153.09082	17.4
156.09189	0.2
161.13219	0.5
163.11179	1.3
170.08165	0.2
173.05942	1.4
175.03860	0.2
189.12755	1.0
191.07048	0.4
207.13803	1.4
225.14806	7.9
237.90643	0.2
280.78806	0.2
369.19287	0.3
387.16129	3.5
387.20404	0.3
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	Staphylionoside A
Peak:m/z	Relative Intensity
53.03935	17.0
55.01857	3.2
55.05498	16.0
57.03429	5.9
59.04969	3.3
60.24049	1.9
61.02903	4.0
63.36677	2.3
67.05485	14.5
67.69164	2.0
69.03416	31.6
69.03736	3.6
69.07048	5.5
70.06589	2.6
71.04966	11.4
72.08128	11.8
73.02903	2.9
74.00636	3.8
79.05474	18.4
80.92065	2.4
81.03393	29.2
81.07053	19.0
83.04975	4.7
85.02889	35.2
85.06522	2.7
87.04441	9.5
91.05463	36.8
93.07029	39.4
95.04935	21.8
95.08582	30.7
97.02866	11.7
97.06495	4.7
99.04425	6.1
103.05466	6.1
105.07016	88.4
107.04939	9.6
107.08580	49.0
109.02838	4.2
109.06489	19.6
109.10149	18.7
114.37873	2.3
117.06969	4.1
119.08566	67.0
120.01109	2.6
121.06494	4.8
121.10124	25.4
123.08040	39.5
123.11661	3.6
125.09594	3.4
127.03893	9.3
131.04976	3.4
131.08549	13.2
133.06471	15.7
133.10104	100.0
135.08012	10.6
135.11652	3.7
136.07489	2.5
137.05952	37.1
137.09599	24.2
138.06284	5.3
139.11174	24.7
143.08525	10.3
145.06439	2.4
145.10110	18.0
147.04483	2.9
147.08018	20.2
147.11678	22.3
149.06070	2.5
149.09618	30.7
151.07533	21.3
151.11197	3.8
156.09344	4.0
159.11629	2.8
160.08919	2.9
161.09630	21.8
161.13214	16.7
163.03886	2.9
163.07518	4.3
163.11162	39.0
164.07919	4.7
165.09084	18.5
165.12628	3.5
169.26505	2.4
171.11583	5.9
177.12666	2.7
179.10622	45.4
179.12157	3.4
189.12718	53.1
207.10242	18.6
207.13759	67.7
225.11209	5.5
225.14809	26.2
242.47739	2.5
259.14432	5.7
387.14331	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	386.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68682	0.5
53.03941	0.5
55.07555	0.5
57.03438	0.6
60.04509	0.6
60.43026	0.5
61.02917	1.4
69.03417	4.7
70.06585	4.1
71.04990	0.8
72.08133	1.3
75.19256	0.7
76.03988	57.7
79.05480	16.2
81.03388	1.1
85.02895	11.7
86.09709	0.7
91.03935	0.8
95.04960	0.9
97.02892	3.3
101.94135	0.7
103.05468	5.6
105.06995	1.3
106.06541	32.3
107.04944	100.0
111.04436	0.7
119.04943	1.0
121.02855	0.8
124.68203	0.6
127.03881	0.8
131.04912	40.6
137.05949	0.8
147.04399	1.2
149.05966	7.7
164.07033	25.0
166.04910	0.6
167.08826	0.7
175.03899	0.6
179.81950	0.7
189.05400	0.9
206.08113	9.5
224.09157	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	387.201
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	2.9
55.01865	8.7
55.05504	29.0
57.03433	15.5
57.07048	2.7
59.04982	8.8
61.02908	18.2
67.05479	11.3
69.03415	50.5
69.07043	9.4
70.06567	3.3
71.04966	8.8
72.08123	11.6
73.02897	9.2
76.12478	1.8
79.05480	11.8
81.03387	17.4
81.07038	27.3
81.18839	2.1
82.32260	2.0
82.55048	2.1
83.04971	91.3
83.08603	4.0
85.02888	100.0
85.06524	2.4
86.09671	3.1
87.04441	9.5
91.05476	17.5
93.07027	29.6
95.04950	5.3
95.08592	19.9
97.02859	33.2
97.06543	3.1
99.04427	14.0
103.05433	2.5
105.07016	30.1
107.08583	35.1
109.02844	8.4
109.06485	20.1
109.10138	12.3
111.28617	2.1
117.06967	2.8
119.04941	3.2
119.08550	50.2
121.06491	3.3
121.10132	40.9
123.08041	19.2
123.11697	10.0
125.06019	4.3
125.09593	3.4
127.03880	13.3
131.08514	8.6
132.95889	2.4
133.10110	8.9
135.08054	4.3
135.11661	8.3
137.05936	9.7
137.09584	37.9
138.06290	2.6
143.08575	4.2
145.04980	9.8
145.10101	11.4
147.04376	9.9
147.08105	3.0
147.11641	19.9
148.53931	2.5
149.09599	40.3
149.13222	3.4
151.03873	3.0
151.07484	8.7
151.11142	12.9
153.09093	3.5
156.09305	4.5
159.11613	2.8
161.13260	27.8
163.01653	2.2
163.11131	3.8
165.12735	10.9
167.10756	4.4
167.14316	9.1
171.11641	9.2
181.59720	2.2
189.12723	27.5
207.13789	34.5
209.04491	3.0
225.14803	96.7
387.15884	7.6
387.20099	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	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80842	0.6
53.03939	3.6
55.01872	7.6
55.05508	21.7
57.03426	10.0
57.07073	1.3
60.79720	0.5
65.03925	1.1
67.05492	36.7
69.07054	21.6
71.04964	2.9
79.05473	35.0
81.03394	5.4
81.07040	100.0
83.04964	5.5
83.08590	11.2
85.06542	4.0
87.37584	0.6
91.05459	27.8
93.07023	25.2
95.04952	10.8
95.08582	27.1
97.06513	8.8
99.08109	2.4
100.16963	0.6
103.50412	0.6
105.04526	0.8
105.07011	27.9
107.04946	8.4
107.08576	16.0
108.99175	0.7
109.06507	20.8
109.10126	7.4
111.08091	2.7
117.06995	8.1
119.08560	20.3
121.06491	4.5
121.10136	10.9
123.08055	4.8
123.11651	5.3
125.09621	1.2
129.06970	5.1
130.07716	0.7
131.08556	10.9
133.10106	13.3
135.08055	4.5
135.11650	4.7
137.09608	2.4
142.07811	0.8
143.08598	0.9
145.06473	1.0
145.10072	8.4
147.08040	1.1
147.11668	12.6
149.09595	6.2
149.13260	3.9
151.11119	2.9
153.01816	1.6
153.09187	0.8
155.08522	0.8
157.10136	4.4
159.11650	6.5
161.13208	2.7
163.11110	5.3
163.14824	0.9
165.12743	3.4
171.11716	1.4
173.09583	0.8
173.13271	3.0
175.11189	2.7
177.12793	1.5
183.11708	0.9
185.13234	0.6
187.11191	0.8
193.12291	0.7
195.13795	1.0
207.13719	0.8
229.19443	1.2
239.17937	0.9
247.20598	2.6
257.18970	3.2
275.19998	29.8
275.22879	1.1
293.21097	5.2
321.01697	0.7
349.23651	23.0
367.24722	34.8
384.30859	10.9
385.31033	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	385.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16917	3.2
53.03939	4.2
55.01863	22.0
55.05503	47.0
57.03420	19.2
57.07066	5.5
57.27773	3.1
59.78126	3.4
67.05491	100.0
69.03410	4.3
69.07051	29.7
71.05002	5.3
72.09398	3.4
76.56203	3.5
79.05471	54.0
81.03397	15.5
81.07038	85.1
83.04964	18.4
83.08598	23.3
85.06505	7.3
91.05457	92.3
93.07015	51.7
95.04938	35.1
95.08566	37.0
97.06486	13.9
104.25449	3.8
105.07002	63.7
107.04943	21.6
107.08569	47.2
109.06510	18.9
109.10134	66.4
111.08080	4.0
117.07001	7.6
119.08587	24.3
121.06512	4.4
121.10094	14.0
123.08048	6.0
123.11679	7.4
129.06999	4.1
131.08539	16.4
133.10089	65.6
135.08032	5.9
135.11624	7.4
137.09596	16.7
141.72435	4.0
145.09978	4.4
149.09637	7.4
151.11098	32.2
157.10078	3.7
163.11281	4.1
169.12193	4.6
177.12729	5.2
195.13800	3.5
217.88690	3.5
229.19508	4.1
253.14186	6.3
260.81467	4.0
275.19995	20.5
285.16824	14.5
289.50781	3.6
293.21124	6.8
303.90759	3.5
349.23831	5.7
367.24777	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.5
53.03936	1.8
55.01865	12.4
55.05506	51.5
57.03426	7.9
57.07038	1.0
64.33271	1.3
67.05492	37.9
69.03408	4.1
69.07056	17.9
71.04964	4.3
79.05477	37.1
81.03410	9.1
81.07040	32.1
83.04969	15.4
83.08606	28.0
85.02877	6.0
85.06534	2.5
91.05459	29.5
92.64209	1.1
93.06493	1.8
93.07029	37.4
95.04947	100.0
95.08589	18.5
97.06493	6.5
97.10139	12.1
99.04430	4.6
105.07011	28.2
107.04932	12.7
107.08575	34.6
109.06513	9.2
109.10146	10.2
111.04426	18.2
111.08065	5.0
112.15209	1.0
117.06979	12.3
119.08568	22.9
121.06512	8.8
121.10122	18.3
123.08029	5.5
123.11649	1.6
125.09610	8.5
129.06966	6.2
130.07709	1.4
131.08556	13.5
133.06422	1.8
133.10109	14.9
135.07994	5.8
135.11646	8.1
137.09573	1.2
139.11108	1.2
143.08562	4.0
145.10097	20.9
145.85675	1.0
147.08044	4.6
147.11618	7.7
149.09604	32.3
153.01756	2.3
153.12724	1.9
157.10120	1.5
159.07996	1.4
159.11679	7.3
161.09564	3.6
163.11151	27.6
169.10114	2.5
171.11627	1.7
172.30380	0.9
173.09654	1.6
173.11719	1.3
173.13165	1.9
177.12750	4.0
181.12187	2.3
187.11156	4.0
189.11191	6.7
205.12181	2.4
223.13249	31.1
228.53485	1.0
229.19444	1.4
239.18062	1.3
247.20444	1.2
257.19070	5.6
259.44962	1.4
275.20020	39.8
293.21033	21.5
349.23633	2.3
367.24756	26.4
385.25543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01674	0.9
55.01872	16.8
55.05236	2.2
55.05506	60.6
55.70877	1.1
57.03421	12.7
57.07041	1.1
57.14061	1.0
65.03906	1.4
67.05143	2.0
67.05495	44.6
67.06490	1.0
69.03419	1.5
69.07056	21.9
70.70079	0.9
71.04977	7.4
74.60970	1.2
79.05480	50.0
81.03395	6.9
81.07040	46.1
81.07524	1.2
83.04969	21.7
83.08611	28.8
85.02879	7.6
85.06530	1.9
85.54615	1.0
85.66800	0.9
91.05470	31.2
93.07028	45.0
95.04948	100.0
95.08582	25.8
97.06506	7.0
97.10134	15.2
99.04418	9.8
99.08086	1.8
105.07011	33.4
106.12435	1.1
107.04929	13.4
107.08572	39.6
108.82629	1.0
109.06513	8.3
109.10141	12.6
111.04429	27.6
111.08090	6.1
117.06966	12.1
119.08558	22.6
120.15430	1.2
121.06480	7.2
121.10113	18.4
121.67218	1.1
123.08080	4.6
123.11667	1.9
125.05973	1.6
125.09592	11.7
129.06969	2.7
130.07730	1.3
131.08553	19.7
133.10088	20.8
135.08018	7.5
135.11655	9.8
137.09604	4.6
138.91100	1.1
143.08546	4.3
145.10109	21.9
147.08057	6.2
147.11674	7.6
149.09602	31.7
149.13232	1.4
151.11160	2.6
153.01834	4.5
153.12709	1.5
155.08517	2.3
157.10104	2.6
159.11650	10.3
161.09613	1.7
161.13339	1.4
163.11148	32.1
169.10094	1.8
173.09583	1.7
173.11736	1.3
173.13245	1.7
175.11203	1.4
177.12726	4.8
187.11148	4.9
189.11211	8.3
191.10542	1.4
193.12398	1.9
197.13208	1.3
205.12186	4.6
213.16547	1.3
223.13269	39.8
229.19414	2.0
239.17972	1.4
253.14290	1.2
257.18936	8.1
269.17245	1.6
275.20035	45.9
276.01053	1.1
293.21042	27.6
349.23477	5.1
367.24756	49.7
385.12921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
53.03939	1.5
55.01870	5.5
55.05505	21.8
57.03426	10.4
57.07062	1.0
65.03932	1.0
67.05493	39.3
67.05853	1.5
69.03399	0.9
69.07055	19.9
71.04968	2.4
79.05475	39.5
81.03391	5.3
81.07039	100.0
83.04958	6.6
83.08602	13.2
85.06536	1.4
91.05463	27.6
91.06007	1.2
93.07025	24.6
95.04939	12.3
95.08586	21.6
97.06520	7.3
97.10162	1.2
99.08092	1.3
101.46835	0.7
105.07012	24.2
107.04938	10.0
107.08572	14.5
108.50637	0.6
109.05807	1.3
109.06493	20.2
109.07172	0.8
109.10148	7.7
111.08076	3.6
117.06994	7.4
118.72404	0.5
119.05003	0.7
119.08564	19.4
121.06519	4.7
121.10127	10.7
123.04395	0.6
123.08076	5.8
123.11679	4.6
129.06967	2.9
131.08537	11.7
133.06462	2.5
133.10109	12.8
135.08009	4.5
135.11693	4.8
137.09567	1.5
139.76720	0.6
143.08551	0.8
145.10095	10.4
147.08032	2.4
147.11684	12.6
147.12773	1.1
149.09584	6.5
149.13245	5.8
151.11218	1.0
153.01819	0.9
155.08537	1.5
157.10127	2.5
157.47578	0.7
159.11635	5.1
161.09619	1.0
161.13287	1.1
163.11174	6.1
165.12747	3.6
169.10114	1.0
171.02869	0.7
171.11674	1.1
173.09694	1.0
173.13260	2.9
175.11165	1.4
177.12733	2.3
179.14345	0.9
183.11665	1.3
185.13142	0.7
187.11198	0.7
187.14835	0.8
189.12781	0.7
191.14401	0.9
195.13695	1.0
201.12762	0.8
229.19434	0.8
235.31429	0.6
247.20544	0.9
257.18939	3.1
275.20013	28.7
293.21033	3.9
349.23657	20.9
367.24719	32.2
384.30807	8.4
385.31073	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	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01851	4.6
55.05508	7.2
57.03421	5.2
59.04990	1.4
61.02910	9.0
61.81182	0.8
65.84410	0.9
67.05490	1.5
69.03417	36.2
69.07034	3.4
71.04948	3.8
72.08142	1.6
73.02901	1.7
79.05483	4.6
81.03376	8.6
81.07047	2.0
83.04971	9.1
83.08592	7.5
85.02890	43.9
87.04439	1.3
91.03928	1.5
91.05457	5.3
92.63748	1.0
93.07028	20.2
95.04950	5.6
95.08591	4.0
97.02863	15.7
97.56959	1.1
99.04446	1.7
105.07016	9.7
107.04924	1.2
107.08586	17.8
109.02869	5.4
109.06506	1.8
109.10146	1.5
117.06992	4.1
119.08575	12.6
121.06489	34.5
121.10133	8.4
123.08061	8.4
127.03869	6.2
128.06210	1.0
129.06937	1.7
131.08540	8.8
133.10115	9.3
135.04382	2.0
135.08020	16.7
135.11656	12.2
137.09584	6.2
141.12729	1.9
142.13091	1.4
143.08594	1.3
144.09334	6.7
145.04910	2.2
145.10121	4.3
147.08025	4.2
147.11690	1.2
149.05991	10.7
149.09622	2.0
149.13216	5.4
159.08015	1.6
159.11659	21.7
161.09575	6.8
161.13287	1.1
162.10405	3.9
163.07455	1.6
163.11183	8.0
165.31895	0.9
167.06995	1.2
172.08868	3.5
176.08310	1.7
177.12714	100.0
179.10611	9.4
187.11145	4.9
189.12717	1.8
205.12210	91.5
207.13834	7.9
223.11061	1.9
223.13251	57.0
232.67358	0.9
311.57779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
54.39765	1.7
55.01865	25.4
55.05509	100.0
57.03226	1.7
57.03431	27.8
57.07065	3.6
65.01205	1.9
67.01875	3.1
67.05496	70.4
69.03396	7.5
69.07056	28.0
71.04989	7.1
71.08623	19.8
79.05475	77.0
81.03407	18.2
81.07041	70.6
83.04973	38.2
83.08600	51.7
91.05463	42.6
93.07026	55.2
95.04951	54.9
95.08585	27.1
97.02859	3.3
97.06506	17.7
97.10156	47.6
99.04414	4.5
99.08083	13.9
99.22196	2.4
105.07023	28.5
107.04928	14.9
107.08580	50.0
109.06497	9.6
109.10159	19.1
111.04450	28.0
111.08050	12.4
117.07008	21.6
119.08588	15.8
119.75023	2.0
121.06455	3.7
121.10110	20.1
123.08063	4.2
125.06036	2.5
125.09608	41.0
129.06973	5.4
131.08553	17.8
133.06593	2.7
133.10071	11.1
135.08020	12.8
135.11650	14.3
137.05997	2.7
138.36632	2.0
145.10150	17.6
147.11670	9.5
149.09592	17.5
151.11182	9.1
153.01817	34.2
153.09103	4.3
153.12718	4.5
159.11652	5.1
161.09576	4.0
163.11150	29.1
165.12726	3.3
171.02895	4.6
173.09647	2.4
177.12685	5.5
179.03317	2.6
181.12242	4.4
189.11211	36.5
191.06203	2.1
193.12160	3.5
195.13806	3.8
223.13223	12.1
227.12718	9.0
247.20908	2.3
257.18924	3.9
275.20065	34.2
293.21097	54.6
294.44254	2.3
311.22211	2.8
367.24719	24.6
385.12537	3.1
385.25732	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
67.05502	0.7
71.04989	0.6
79.05494	0.7
81.06998	0.7
81.23779	0.7
91.05453	1.5
93.07038	0.9
93.44415	0.8
95.08554	1.1
107.08580	1.0
119.08545	0.9
129.07014	0.9
130.82599	0.7
133.10100	0.8
137.05931	3.0
145.58128	0.6
159.11598	0.7
161.05959	0.8
196.58649	0.8
198.00656	0.8
305.60367	0.7
353.26547	1.7
383.27588	100.0
384.27716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01870	8.4
55.05497	6.2
57.03428	7.3
59.04974	2.4
61.02905	8.6
65.03944	0.8
67.05481	4.0
68.16972	1.0
69.03413	34.8
69.07053	3.9
70.06570	1.6
71.04967	4.5
72.08137	4.0
73.02898	1.4
78.97660	0.8
79.05461	5.8
81.03382	8.7
81.07040	5.1
83.04969	12.9
83.08595	7.7
85.02888	47.2
87.04444	2.0
91.03921	1.5
91.05458	7.7
93.07023	20.6
95.04939	6.5
95.08576	7.0
97.02873	14.9
97.06490	1.0
99.04428	2.2
105.07011	11.1
107.04937	1.6
107.08574	19.4
109.02870	4.2
109.06490	6.3
109.10083	1.1
111.04446	2.0
111.64269	1.0
115.05431	1.2
117.06992	3.8
119.08570	14.8
121.05611	1.5
121.06483	37.3
121.10135	10.2
123.08041	12.3
123.11678	1.9
127.03878	6.1
131.08533	9.7
133.06458	1.2
133.10101	9.5
135.04428	4.2
135.08049	14.0
135.11661	13.1
137.05966	5.4
137.09581	5.1
138.09106	2.4
144.09325	7.6
145.04967	2.3
145.10083	7.4
146.07271	1.8
147.07974	4.7
147.11630	1.5
149.05984	8.4
149.09572	2.4
149.13257	6.1
151.07520	1.3
159.08032	1.9
159.11678	22.2
161.05948	2.3
161.09595	11.8
161.13214	1.6
162.10367	4.9
163.07506	2.1
163.11168	14.8
171.11696	1.2
172.08818	3.8
175.07455	1.0
176.08279	1.3
177.12711	100.0
179.10658	11.2
181.39803	1.0
187.11107	4.6
189.09084	6.1
189.12729	5.7
205.12199	82.6
207.13786	10.8
223.13251	52.7
234.17476	1.1
264.16022	1.7
385.18161	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	383.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65420	1.2
53.56227	1.1
55.01864	2.6
55.05512	10.2
56.17076	1.1
57.03437	3.6
58.69718	1.1
58.95556	1.1
67.05484	11.0
69.07056	5.7
71.04970	2.1
79.05476	11.9
81.03414	3.4
81.07045	15.2
82.76884	1.4
83.04984	2.4
83.08617	7.1
85.02897	6.3
91.05463	10.3
93.07021	7.2
93.79893	1.4
95.04951	2.9
97.06536	8.2
97.10172	3.3
105.07025	6.6
105.60801	1.3
107.04948	1.8
107.08590	3.0
109.10167	2.6
111.08079	1.5
119.08587	2.0
123.08088	2.7
133.10060	2.2
135.04414	2.7
137.05923	2.4
138.06395	2.0
143.01178	1.5
145.10123	1.6
157.10162	2.1
175.11284	2.0
193.12207	3.2
198.14886	1.9
199.07622	1.8
211.13396	2.6
223.13216	1.5
291.19507	6.0
304.16354	2.3
322.17487	2.1
383.24323	7.3
383.27780	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03938	3.8
55.01852	3.2
55.05513	22.6
57.03423	4.2
57.07064	12.6
57.43208	1.8
61.63726	1.9
67.05492	30.5
67.84551	2.2
69.03416	18.7
69.07047	11.8
69.51884	2.2
71.04978	11.9
78.27151	2.2
79.05484	46.0
81.07034	35.3
83.04965	12.3
83.08628	3.1
85.06545	3.5
91.05461	57.3
93.07023	100.0
95.04949	30.2
95.08599	38.5
97.06512	14.5
103.05444	3.3
105.07016	97.2
107.04929	2.5
107.08580	53.0
109.06512	30.1
109.10128	24.9
111.08061	5.2
115.05476	4.4
117.07006	16.2
119.08559	65.6
120.09362	2.3
121.06493	15.0
121.10130	35.2
123.08043	33.4
128.06197	17.3
129.06993	21.7
130.07751	4.9
131.08531	34.7
131.69182	2.2
132.09367	2.8
133.06433	3.5
133.10107	33.2
135.08009	24.1
135.11630	2.7
137.09592	10.3
141.06944	8.7
142.07774	27.1
143.08527	32.6
144.09372	5.6
145.06511	4.7
145.10100	45.7
146.02017	2.8
146.07295	4.0
147.08017	26.2
147.11710	11.8
149.09608	11.9
151.07515	25.6
151.25732	2.5
155.08542	9.8
156.09364	13.0
157.10114	36.7
158.10875	3.4
159.08093	4.7
159.11642	16.5
161.09595	21.1
161.13174	4.4
163.11113	4.0
165.09090	23.6
167.08582	3.8
169.10129	8.7
170.10896	5.1
171.11708	10.9
173.09648	11.1
173.13231	9.9
175.11136	14.8
175.14905	3.1
177.09123	4.2
178.45963	2.1
179.08496	3.4
180.09312	3.2
181.10086	3.3
182.10846	4.7
183.11694	4.6
185.09651	2.7
185.13229	14.2
187.11244	3.8
189.12723	4.2
193.10201	3.0
194.10974	3.2
195.11713	4.0
196.12480	2.3
197.09550	2.9
197.13211	9.0
201.12784	3.2
203.14325	12.6
206.11044	3.0
207.13637	4.6
209.13260	5.1
213.12645	3.5
215.14372	8.2
219.13821	2.8
221.15352	31.7
237.12656	2.8
286.19174	2.6
287.20154	3.8
295.43555	2.8
309.18436	2.9
348.90643	2.9
365.24829	9.6
383.25644	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32026	2.3
53.03946	5.3
55.01849	2.6
55.05514	21.1
57.07076	6.9
59.04988	4.8
62.97229	2.5
67.05488	40.3
69.03413	17.8
69.07046	13.6
71.04976	11.1
79.05481	36.2
81.07037	34.4
83.04977	6.5
83.08612	7.3
85.06540	5.5
91.05451	58.7
93.07029	100.0
95.04948	44.3
95.08592	34.3
97.06522	12.4
105.07022	94.2
106.31850	2.9
107.08583	40.8
109.06499	21.2
109.10145	25.5
115.05416	3.4
117.06991	17.8
119.08567	56.6
120.09335	3.6
121.06480	17.3
121.08751	2.8
121.10114	35.7
123.08059	25.5
123.11617	3.4
128.06223	12.7
129.06956	23.0
130.07733	7.1
131.08549	43.8
133.06451	6.0
133.10114	41.3
135.08029	27.0
135.11684	4.6
137.05942	3.3
137.09615	7.3
141.07031	3.4
142.07777	26.3
143.08559	29.0
144.09344	6.0
145.06436	4.0
145.10135	36.4
146.07355	3.7
147.08032	27.2
147.11674	12.9
149.09642	14.2
151.07538	23.5
154.07732	4.0
155.08539	12.5
156.09340	13.8
157.10109	35.6
159.08054	10.9
159.11693	16.8
161.09618	14.5
165.09091	33.0
167.08478	4.3
169.10127	5.3
170.10832	7.1
173.09599	6.5
173.13298	3.7
175.11174	12.0
175.14816	3.4
177.09227	3.3
179.08453	3.9
181.10130	4.2
183.11671	6.0
185.13283	7.3
189.12712	11.4
203.14264	11.1
207.13745	4.5
211.14754	3.9
215.14284	7.1
218.88184	3.1
221.15323	37.0
227.14171	5.4
233.13139	3.1
299.20020	3.2
301.14185	4.3
365.24829	14.1
383.21021	4.9
383.25674	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88295	1.8
53.03936	5.3
54.24372	2.0
54.25665	2.2
55.01861	23.0
55.05509	37.3
57.03424	18.7
57.07061	14.8
59.04988	68.8
60.05276	2.9
63.78396	2.1
67.05492	100.0
67.21409	1.9
69.03400	3.3
69.07060	22.1
71.04971	9.9
73.02914	3.0
79.05476	67.2
80.24760	2.2
81.03400	10.9
81.07036	96.3
83.04957	20.6
83.08593	10.0
85.02930	2.8
85.06528	5.9
91.05463	87.2
93.07023	61.8
95.04954	23.6
95.08577	34.8
97.06511	12.2
99.04409	2.5
105.06361	4.9
105.07011	85.7
107.04945	14.1
107.08575	58.7
109.06498	14.8
109.10144	71.7
111.04394	3.7
111.08082	4.0
114.36717	2.3
114.44752	2.3
115.11209	2.9
116.98625	2.9
117.07010	19.6
119.08581	22.7
121.06472	10.6
121.10136	16.2
123.08073	3.5
123.11676	4.4
128.06232	3.4
129.06969	9.8
131.08540	22.1
133.06493	13.8
133.10109	72.2
135.08031	13.7
135.11650	5.2
140.96796	2.3
140.97995	2.5
143.08562	10.1
145.10074	9.9
147.08003	4.9
147.11679	4.8
149.09584	10.3
151.11163	31.9
157.10172	3.6
161.09512	17.9
161.13203	3.3
173.15355	9.9
175.11180	5.0
177.09111	3.3
185.13319	3.4
189.12778	4.0
245.18898	10.1
253.14268	39.6
263.20059	4.8
271.15280	9.1
273.18411	24.2
291.19446	18.3
347.22028	3.2
365.23169	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.05494	18.3
57.07061	15.3
59.04985	4.4
61.24036	2.8
61.91222	3.6
67.05492	34.4
69.03409	13.3
69.07039	11.9
71.04955	7.6
79.05465	35.8
81.03421	3.5
81.07029	38.3
83.04961	4.5
85.06525	5.8
91.05453	47.3
93.07021	96.4
95.04971	33.0
95.08590	40.4
97.06485	7.3
105.07012	100.0
107.04884	3.5
107.08566	43.1
109.02134	2.9
109.06504	34.1
109.10107	20.3
111.08060	3.6
115.05456	3.6
117.06992	19.3
119.08558	58.2
119.60998	3.5
120.18267	2.8
121.06470	19.9
121.10103	42.1
123.08052	24.2
128.06209	15.9
129.06985	24.9
130.07765	5.6
131.08546	35.9
133.06512	3.7
133.10094	29.1
135.08034	20.4
137.83211	3.1
141.06902	5.9
142.07773	28.7
143.08530	29.5
144.09254	8.1
145.06415	3.7
145.10107	37.7
147.08000	26.6
147.11673	5.7
149.09572	19.0
151.07526	34.2
155.08514	14.7
156.09254	6.6
157.10071	36.0
158.41216	3.7
159.08058	7.5
159.11691	23.2
161.09576	17.4
161.13217	3.8
163.11143	3.4
165.09073	21.0
169.10008	5.7
171.11690	8.2
173.09584	15.6
175.11140	20.5
175.14650	4.0
177.09100	4.8
179.08551	4.0
181.10017	3.4
183.11595	3.4
185.13187	5.9
189.12648	6.4
194.55020	3.2
195.11639	5.2
201.12521	4.9
203.14339	17.0
207.11449	3.8
207.13792	5.2
208.12233	3.9
209.13220	5.1
215.14252	4.3
221.15259	45.9
227.14256	5.1
234.16077	5.8
365.24609	17.8
383.25674	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16946	1.5
50.72988	1.7
53.00301	1.8
53.03923	3.4
55.01871	21.3
55.05505	68.9
56.96559	2.0
57.03432	32.3
59.20913	1.6
65.03929	2.8
67.05493	72.4
69.03405	3.3
69.07061	36.7
69.94127	2.0
70.77473	1.8
71.04964	8.7
79.05476	65.2
81.03400	19.3
81.07039	100.0
83.04974	26.5
83.08604	28.9
85.02884	9.2
91.05466	41.0
92.05816	2.1
93.07025	46.3
95.04959	22.8
95.08589	34.5
97.06518	18.1
97.10152	35.2
99.04434	3.8
99.08078	4.2
105.07018	23.3
107.04959	11.9
107.08591	28.9
109.06525	9.5
109.10137	16.6
111.04427	22.0
111.08063	11.7
114.09129	3.5
117.07000	12.1
119.04926	7.7
119.08573	20.3
121.06470	9.8
121.10133	14.8
123.04427	2.7
123.08038	40.6
123.11618	2.6
125.09608	27.4
128.21408	2.0
129.06961	10.7
131.08560	12.0
133.06543	2.5
133.10127	9.8
135.08012	9.2
135.11682	9.9
137.05971	36.3
137.09615	8.0
138.06291	16.8
143.08516	3.4
145.06419	2.9
145.10103	11.3
147.08006	7.3
147.11629	3.4
149.09599	7.8
153.09160	2.1
153.12726	9.2
155.08582	2.1
157.06407	2.3
157.10149	4.1
159.11693	2.3
159.74289	1.8
161.05956	2.2
161.09624	3.0
163.11130	17.1
165.09088	2.5
171.08099	2.2
171.10162	2.7
171.11577	2.2
173.05928	2.8
173.09602	2.0
174.06322	2.0
175.07516	2.9
175.11215	2.4
181.06389	2.3
181.12195	8.9
182.06746	2.6
188.07907	2.1
189.11182	23.1
191.10646	3.9
191.55122	1.9
193.12204	2.8
197.04811	2.1
199.07495	3.0
200.07852	2.7
227.12697	7.5
253.69608	1.9
273.18445	18.6
291.19476	40.9
312.16785	3.6
330.17651	8.6
347.22440	2.8
352.05322	2.3
365.23273	15.4
383.24060	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56338	1.3
53.03935	3.4
53.45264	1.6
55.01868	28.5
55.05506	83.1
57.03428	35.7
59.04972	2.5
61.43342	1.4
65.03918	4.0
67.05492	82.2
67.06686	1.6
67.77731	1.5
69.03412	7.1
69.07053	41.6
71.04969	7.3
79.05475	76.4
81.03406	25.6
81.07040	100.0
83.04971	35.5
83.08595	27.4
85.02888	4.2
85.06518	2.2
91.05463	42.0
93.07024	56.5
95.04959	20.6
95.08586	39.3
95.09141	3.0
97.06492	21.7
97.10155	45.1
99.04425	3.4
99.08069	2.3
104.70203	1.6
105.07011	29.2
107.04284	1.5
107.04944	11.1
107.08575	37.0
109.06486	11.2
109.10151	17.6
111.04430	26.3
111.08067	14.0
115.05419	2.4
117.06992	13.7
119.08572	26.6
121.06462	8.3
121.10101	18.9
123.08046	44.8
125.05920	2.7
125.09600	35.9
128.06241	1.9
129.07001	9.6
131.08574	15.9
133.10129	10.3
135.08055	7.0
135.11649	13.7
137.09578	7.8
143.08569	3.7
145.10109	11.9
147.08040	7.7
147.11607	6.1
149.09590	6.9
149.13286	1.9
153.09071	2.9
153.12759	9.5
159.11719	2.7
161.09613	3.6
163.11073	15.6
163.93030	1.8
165.09055	7.0
171.11559	2.1
173.09593	2.7
175.11147	3.5
181.12245	9.6
189.11183	27.6
191.10701	6.5
193.12254	3.2
211.13303	2.4
216.17068	1.9
223.13377	2.1
223.57863	1.7
227.12764	7.9
234.12051	2.6
263.20007	3.3
273.18387	19.1
291.19507	39.9
309.20325	2.3
365.23413	14.1
383.24179	37.1
386.93790	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
53.95438	2.3
55.01865	23.3
55.05503	56.4
57.03415	18.2
61.83195	3.1
62.98367	2.2
65.03932	2.3
67.05493	83.7
69.03415	14.5
69.07055	44.1
71.04967	10.4
77.90611	2.7
79.05473	67.7
81.03397	17.9
81.07038	100.0
83.04977	20.3
83.08596	16.9
85.06529	5.0
91.05462	68.8
93.07020	67.2
95.04942	22.8
95.08562	30.7
97.02889	9.2
97.06511	15.4
97.10135	13.3
99.08047	2.5
105.07005	72.0
107.04916	26.6
107.08584	47.2
109.06512	12.1
109.10141	57.8
111.08080	2.4
117.07013	14.7
119.08546	30.0
121.06570	8.8
121.10134	16.4
123.04429	2.6
123.08022	4.0
123.11707	10.4
125.05940	2.7
125.09652	3.8
128.06181	2.9
129.06995	5.7
131.08545	26.3
133.06465	16.1
133.10106	50.4
135.08043	19.5
135.11676	6.1
139.30453	2.5
143.08566	11.8
145.10068	9.2
147.08029	11.4
147.11732	3.8
149.09587	17.8
151.11174	18.8
157.10083	5.3
159.08080	3.5
159.11624	2.8
160.28809	2.6
161.09604	10.8
163.11150	2.7
171.11685	4.1
175.11180	3.4
177.09065	5.0
180.72343	2.8
223.13264	15.3
245.18993	10.1
253.14407	12.2
271.15326	9.6
273.18427	30.5
291.19501	81.4
295.17209	2.7
303.90128	2.6
304.16153	3.1
347.21994	3.2
365.23135	70.8
383.14526	17.1
383.23935	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
55.01868	20.9
55.05507	57.3
55.37194	2.3
55.87562	2.1
57.03434	21.9
57.07049	4.7
59.04980	2.3
65.03918	3.3
67.05491	91.6
69.03410	10.7
69.07056	38.2
71.04983	6.0
74.15322	2.2
78.93658	2.1
79.05477	74.9
81.03405	17.0
81.07037	100.0
83.04965	16.7
83.08596	18.7
85.06534	5.9
90.09460	2.3
91.05465	78.5
92.64105	2.6
93.07027	68.4
93.07577	4.2
95.04939	19.9
95.08588	30.8
96.01276	3.0
96.91642	2.3
97.02886	4.5
97.06525	12.4
97.10154	11.1
103.05435	2.6
105.07010	76.0
107.04942	30.9
107.08572	49.0
109.06511	16.2
109.10149	48.3
111.04420	2.9
111.08075	5.9
117.06973	19.0
119.04915	3.1
119.08564	31.1
121.06488	15.5
121.10130	15.1
123.08018	5.7
123.11694	5.6
125.09600	4.2
129.07002	14.4
131.04909	3.2
131.08525	31.0
133.06505	19.6
133.10100	60.4
135.08041	14.7
135.11678	12.3
143.08546	10.3
145.10118	15.8
147.08052	11.7
147.11618	8.7
149.09610	20.5
151.11171	18.8
157.10104	10.2
159.08109	5.2
159.11607	4.2
161.09598	4.6
171.11612	3.2
177.09177	4.0
223.13277	13.9
245.18910	5.7
253.14320	15.6
255.17264	2.9
259.81793	3.4
269.13849	5.8
271.15408	9.8
273.18405	30.5
291.19473	96.3
365.23044	68.8
383.14581	15.6
383.23904	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95626	1.3
53.03939	4.8
54.81375	1.1
55.01870	12.6
55.05505	17.8
57.03438	12.9
57.32584	1.1
67.05495	31.4
69.07049	6.5
71.04976	2.2
72.05453	1.1
73.96813	1.3
77.48235	1.1
79.05475	48.8
79.40823	1.2
81.03394	5.0
81.07040	100.0
83.04972	19.4
83.08601	7.1
85.02872	8.3
85.06535	1.7
91.05463	25.1
93.07020	30.9
95.04955	17.6
95.08583	12.1
97.06501	9.9
97.10136	6.5
98.06834	3.0
99.04425	5.7
105.06358	1.7
105.07014	20.4
107.04943	10.3
107.08604	15.0
109.06510	30.1
109.10142	10.3
109.62614	1.2
111.04408	24.9
111.08060	7.3
113.05975	2.1
117.07004	16.4
119.04914	2.5
119.08557	28.2
121.06482	10.3
121.10082	11.0
123.04439	1.7
123.08073	9.9
125.05954	1.8
125.09606	5.6
129.05515	1.9
129.06992	6.2
131.04895	1.2
131.08549	11.6
133.06451	2.2
133.10086	5.2
135.08012	5.9
135.11665	7.1
135.25652	1.4
137.05948	3.0
137.09570	1.7
143.08525	7.1
143.16777	1.4
145.06497	1.4
145.10124	12.6
147.08023	9.6
147.11699	1.8
149.09615	6.4
153.12715	7.6
157.10089	1.6
159.11664	2.1
161.09583	2.8
163.11165	12.5
165.09129	1.6
171.11620	2.0
179.73909	1.2
181.12206	5.8
189.05632	1.2
189.11194	1.7
189.37973	1.4
191.10602	1.6
206.29573	1.3
223.13240	1.6
234.12187	1.5
249.14842	2.0
255.17651	2.0
273.18530	16.7
291.19489	51.5
303.15894	1.4
304.16095	3.1
347.22046	5.4
365.23309	15.1
383.23547	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82006	0.5
67.05482	1.2
69.07056	1.0
79.05492	0.7
81.03414	0.8
81.07030	0.9
83.04999	0.6
84.49120	0.5
91.05424	0.5
93.07008	0.9
95.04930	0.6
97.06498	4.9
105.07023	0.7
119.08532	0.9
127.06739	0.5
127.95808	0.6
129.06912	0.6
133.10052	0.5
137.05942	2.9
138.06316	0.6
143.13663	0.5
161.06038	0.5
186.06480	0.8
191.37048	0.5
204.07596	2.3
215.38722	0.5
233.11739	2.1
234.11998	1.0
255.89940	0.5
347.18329	1.0
348.18716	0.7
383.14578	100.0
383.23627	2.6
384.14999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72036	1.2
54.24541	1.3
55.01861	2.2
55.05502	6.2
57.03426	2.8
58.68342	1.6
65.80356	1.4
67.05494	6.5
69.07054	3.6
71.04966	1.8
79.05486	6.6
81.07034	7.4
83.08620	2.2
91.05470	7.0
93.07020	3.5
97.06509	7.1
100.11262	3.3
107.08589	2.1
109.10133	1.7
119.08543	2.2
121.10127	1.5
122.99242	1.4
133.10161	1.6
137.05952	6.0
141.22531	1.5
149.02386	3.2
170.15324	2.7
193.04944	3.8
194.05373	1.8
198.14925	1.9
233.11736	1.9
278.89517	1.5
287.39246	1.6
291.19656	2.4
303.15894	2.0
304.16354	2.2
322.17313	1.9
383.14587	100.0
383.27582	13.6
383.57599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21666	0.4
59.20457	0.4
69.07026	0.4
70.06551	0.6
72.08130	0.5
76.51347	0.5
83.04961	0.5
84.08125	0.5
92.09278	0.8
107.08574	0.5
125.09604	0.7
137.05949	1.0
139.11102	0.5
167.10648	0.8
185.11743	1.1
190.73317	0.5
194.97360	2.4
203.06805	0.5
208.98914	3.3
212.98505	2.6
214.28131	0.4
227.00012	0.5
318.79764	0.5
359.05444	0.6
383.13062	100.0
384.13150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18384	0.4
52.41024	0.5
63.42447	0.4
85.02902	0.9
107.08560	0.8
121.10121	0.6
152.36873	0.5
162.04784	0.5
185.11664	1.0
191.28392	0.6
203.07002	0.7
383.13034	100.0
384.13327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03100	0.9
50.30787	0.7
50.98787	0.9
53.03966	1.2
53.18108	0.8
55.05489	5.0
66.70155	1.0
66.89337	0.9
67.05455	1.0
69.03416	2.7
69.07065	2.1
70.06573	4.4
70.43084	1.0
72.15088	1.0
79.05473	1.7
81.03394	1.4
81.07022	2.1
83.04971	6.0
85.02896	5.5
85.06564	2.4
93.07050	2.3
95.08588	2.5
97.06519	2.2
99.04382	1.0
101.06017	11.6
102.06309	1.7
107.08575	4.5
109.06480	1.5
121.10147	2.3
125.09599	20.4
126.09912	4.0
129.05386	1.4
137.06007	1.5
139.11137	12.0
140.11497	2.5
143.10738	1.1
167.10660	6.2
168.11034	1.4
177.31441	1.1
183.08499	1.3
185.11711	23.0
186.12056	8.8
190.06129	1.5
203.12735	2.6
218.05466	1.3
239.71819	1.2
246.05043	2.1
309.01636	1.2
353.31348	1.3
383.13092	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	383.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82709	0.3
57.03435	0.5
58.19958	0.3
61.02912	0.5
69.03410	2.2
70.98498	0.4
73.26514	0.3
81.03401	1.4
81.04499	0.4
85.02901	4.2
88.75978	0.4
94.04890	0.4
94.40225	0.3
97.02860	1.7
109.88355	0.3
125.58372	0.3
130.06508	60.6
132.04413	5.1
134.95604	0.4
146.05978	0.5
148.07521	1.5
149.52840	0.4
157.07590	100.0
158.05981	16.6
158.08008	0.6
159.09174	0.6
175.08635	10.6
185.07083	3.8
189.05196	0.4
203.08128	69.5
204.06471	0.5
221.09158	7.1
345.27539	0.4
365.13080	0.5
383.14334	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1704
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01836	0.6
57.03420	0.7
57.07064	5.0
59.04990	4.1
61.02887	1.0
67.05486	3.3
69.03397	2.5
69.07056	4.6
70.02928	4.6
71.04955	0.6
72.04122	0.9
72.04494	17.1
73.02896	4.3
74.02412	1.2
81.03405	0.8
82.36578	0.6
83.04947	0.6
85.02882	8.9
85.06525	9.6
86.09662	1.0
87.08076	1.2
90.05532	100.0
95.04948	5.7
96.08082	1.2
97.02863	2.6
98.02394	16.3
100.03955	1.2
101.46471	0.5
103.07549	6.9
113.05986	4.0
116.03432	12.5
123.51588	0.6
124.07571	21.8
130.38705	0.5
142.08618	10.3
156.10168	0.7
160.09697	2.4
166.08585	2.1
174.11259	1.4
184.09648	16.2
198.63850	0.5
202.10710	25.0
219.00450	0.7
220.11758	92.6
221.12134	0.7
383.39584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	0.6
57.07049	1.4
58.23154	0.5
61.02915	0.9
69.03391	0.9
69.07046	1.5
70.02910	0.7
70.06572	1.1
71.91540	0.7
72.04503	4.9
73.02898	0.8
74.02425	0.6
81.03408	0.6
82.53873	0.6
85.02876	4.8
85.06529	2.8
87.55451	0.6
89.09254	0.7
90.05535	28.0
91.05854	1.5
95.04939	1.6
97.02865	1.0
98.02395	4.4
103.07562	1.1
113.05936	1.0
116.03452	3.1
117.64333	0.6
119.01911	5.2
121.06473	3.9
124.07562	4.6
131.01891	1.4
137.02937	1.3
142.08604	1.2
145.03427	1.4
145.04942	0.6
155.01894	0.8
157.03468	0.9
161.02939	3.3
164.55939	0.6
173.02898	0.7
179.05505	1.1
184.09644	4.8
185.10106	0.9
197.02942	0.9
197.06465	0.9
202.10703	5.6
203.11014	3.0
220.11783	20.2
221.04863	1.4
221.12076	9.1
233.06644	3.4
239.07651	1.0
323.09616	9.1
383.13040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2245
Annotation	Lys Pro His
Peak:m/z	Relative Intensity
52.49217	0.3
52.78534	0.3
54.59843	0.3
57.29810	0.3
58.06851	0.3
69.51624	0.3
82.62822	0.3
97.06496	0.4
100.84795	0.4
106.85735	0.4
138.84875	0.4
149.82608	0.5
208.86575	0.4
307.18658	0.5
342.77139	0.3
381.22409	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	382.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.05493	0.8
55.84239	0.2
59.04980	0.2
69.03410	0.7
69.07022	0.3
70.06551	0.3
74.39700	0.2
81.07039	0.4
82.03403	0.2
83.04960	1.0
85.02906	1.5
88.48316	0.2
91.05452	0.2
92.09303	0.2
92.19240	0.2
92.63301	0.2
93.07034	0.3
95.08575	0.8
97.02843	0.3
97.06516	0.4
101.05994	1.7
105.03387	0.3
107.04921	0.3
107.08561	0.8
111.73397	0.2
113.05989	0.2
120.08126	0.3
121.10103	1.2
123.08021	0.4
124.00800	0.2
125.09606	4.0
129.05420	0.3
132.04396	0.4
135.11664	0.2
137.05919	1.8
138.06339	0.3
139.06500	0.2
139.11154	2.2
142.28494	0.2
149.09605	0.3
150.05502	0.8
167.10660	2.5
178.04964	100.0
179.05333	0.7
181.04921	0.4
185.11696	4.8
190.60945	0.2
203.12827	0.9
206.04462	27.2
212.14687	0.2
220.06021	61.9
221.06310	0.3
226.15269	0.2
254.52216	0.2
382.11191	6.6
383.13208	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.5
53.03928	0.7
55.01849	0.8
55.05493	0.5
55.52314	0.3
69.07053	0.7
72.08124	0.4
77.93974	0.4
79.05456	2.3
81.07024	0.6
83.04955	0.4
85.02892	0.4
85.06555	0.6
86.09667	0.5
86.68761	0.4
91.05449	3.4
92.35709	0.4
93.07003	0.9
95.04942	1.6
95.08543	0.4
97.02870	0.4
98.97573	0.7
103.05444	22.0
105.06996	2.5
107.04924	2.5
107.08596	0.6
109.10131	1.9
111.04397	0.4
115.05437	1.5
116.98615	0.7
117.06994	2.9
119.04928	0.8
119.08513	0.5
121.06487	15.4
122.03599	1.7
123.04363	0.8
128.06163	3.9
129.06967	2.5
131.04903	51.0
133.06480	2.8
135.04391	52.6
136.06154	0.4
137.05954	26.4
141.06985	0.6
143.08537	4.6
145.06476	2.0
147.04330	0.8
147.08000	0.8
149.05959	35.6
151.07512	0.9
157.06429	1.6
160.05147	0.8
161.04568	0.7
161.05945	27.4
162.06755	3.0
163.07504	43.7
165.09125	0.6
171.08006	8.6
173.05943	1.4
175.07494	9.7
175.11057	0.5
177.09071	100.0
179.08472	0.8
183.13782	1.5
187.07553	0.6
189.09038	0.9
191.15959	0.4
193.09933	0.4
195.10176	0.5
197.09572	0.6
203.10635	17.8
207.08080	2.3
221.09677	1.1
221.11690	15.7
225.09082	0.9
233.09792	0.5
235.07448	0.8
238.41933	0.4
249.09048	0.8
253.08578	4.5
265.08545	2.4
267.10059	2.5
279.10074	0.8
283.09586	6.3
294.09210	0.4
297.08109	0.8
297.11163	12.1
299.12650	0.7
306.20511	0.4
306.36920	0.5
309.11145	0.8
315.12204	0.6
327.12241	5.4
345.13235	13.4
345.17084	0.9
380.24338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81438	1.1
75.93268	1.3
95.75540	1.3
114.38687	1.3
117.53554	1.2
130.14496	1.2
135.78235	1.3
155.06737	1.4
177.83800	1.4
201.01535	1.8
243.59549	1.3
257.14542	1.4
381.07864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1306
Annotation	Robustic acid
Peak:m/z	Relative Intensity
52.46964	0.8
57.11842	0.7
67.02554	0.9
68.42645	0.8
73.10700	0.8
76.99115	0.9
78.84662	1.0
79.05499	1.0
79.33459	0.8
85.62808	0.7
101.70229	1.0
186.06470	3.9
255.80226	0.9
263.14645	1.2
377.71274	1.1
381.13034	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	380.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01862	1.3
55.05507	0.3
57.03443	0.2
59.04990	0.3
59.54510	0.2
65.03936	0.2
67.34992	0.2
77.03912	0.2
79.05473	4.6
81.07030	0.5
91.05479	0.4
93.07055	0.3
94.04151	0.4
95.04951	1.1
97.06536	0.3
103.05430	3.2
103.05990	0.2
105.07014	50.2
107.04930	1.2
109.06498	2.7
109.07146	0.3
111.04431	0.5
117.06980	0.4
119.08524	0.3
122.03635	1.2
123.08058	0.5
124.05195	2.6
129.07028	0.2
131.04878	0.5
133.06468	49.5
137.05957	64.8
138.06296	0.3
145.06416	0.3
147.08046	0.4
149.05913	0.8
150.06717	1.0
151.07533	1.1
163.07565	0.4
165.09082	100.0
171.08025	0.3
173.05939	0.4
177.09230	0.3
181.08490	0.3
203.10614	0.4
221.11668	0.4
303.01642	0.3
345.16922	0.9
392.03470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08899	0.2
53.03933	0.3
55.01870	1.8
55.05508	0.2
57.03431	0.3
67.05499	0.5
69.07078	0.3
70.06590	0.4
71.04958	0.3
79.05475	5.2
79.37820	0.2
81.03387	0.3
81.07045	0.9
83.08616	0.2
91.05447	1.9
93.07033	0.6
94.04181	0.3
95.04951	1.3
95.08597	0.2
97.06483	1.0
99.08056	0.2
103.05442	2.9
105.07012	52.5
107.04939	0.5
107.08549	0.5
109.06499	3.5
111.04397	0.2
115.05424	0.5
117.06987	0.6
119.08559	0.4
121.06493	0.4
122.03629	1.4
123.04481	0.3
123.08016	0.3
124.05174	2.8
128.06197	0.4
131.04948	0.9
131.08459	0.2
133.06465	54.3
135.04379	0.4
137.05956	76.0
138.06323	0.4
143.08553	1.1
145.06456	0.6
147.04478	0.2
147.07980	0.3
149.05930	0.5
150.06746	1.1
151.07529	2.7
153.05424	1.1
162.62477	0.2
163.07497	1.4
163.29544	0.2
165.09077	100.0
166.09406	0.5
171.07983	0.5
177.09064	1.0
181.08540	1.0
188.08290	0.5
193.08572	4.4
203.10654	2.5
221.11702	1.1
235.16820	0.4
260.33026	0.3
301.14075	0.3
309.20499	0.4
327.15768	1.6
327.21518	1.0
355.80035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88334	0.1
59.15305	0.1
65.03902	0.1
67.05494	0.1
79.05467	0.8
81.07027	0.1
91.05447	1.5
93.07018	0.6
94.04167	0.2
95.04966	0.2
100.20738	0.1
103.05446	7.2
105.06966	0.3
107.04929	0.5
107.08562	0.6
108.05750	0.1
109.06474	0.2
115.05407	0.6
116.06216	0.2
117.06990	2.8
119.04898	0.8
119.08549	0.1
120.56437	0.1
121.06501	1.1
122.03636	1.6
123.08034	1.2
128.06184	0.8
131.04897	18.9
133.06401	0.2
134.07224	0.4
135.08014	0.9
137.05948	23.0
143.08536	1.2
145.06435	0.6
147.08044	0.1
149.06049	0.1
149.09566	0.6
151.07520	8.9
159.07977	0.1
161.05939	0.2
162.06721	2.4
163.07504	29.3
171.07999	0.7
175.07515	2.2
177.09068	100.0
178.09370	0.2
188.08290	0.1
195.10127	4.3
203.10623	0.6
221.11679	9.9
264.84146	0.1
279.75754	0.1
299.12701	0.4
345.16788	0.1
375.20020	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	379.209
Annotation	Pentosidine
Peak:m/z	Relative Intensity
53.70162	0.6
55.05488	0.9
61.01233	0.7
66.85909	0.6
66.91616	0.6
67.05495	1.2
69.07053	1.2
77.17227	0.7
79.05492	1.1
97.06493	3.9
101.96526	0.8
149.58318	0.9
167.07031	1.2
207.10011	1.1
233.11635	0.9
274.79803	0.9
302.71011	0.7
303.15820	1.7
329.17325	0.9
361.19891	0.9
366.12582	0.8
379.20837	100.0
392.65683	1.1
401.06604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01867	1.7
59.75268	0.3
65.03932	0.4
67.05492	0.3
69.03416	0.5
70.06570	0.4
70.34731	0.3
71.14664	0.3
79.05472	6.1
81.07059	0.6
82.73602	0.3
90.88345	0.4
91.05466	2.3
93.07027	0.5
94.04193	0.3
95.04947	1.9
97.06577	0.4
100.28291	0.3
103.05449	6.4
104.06245	0.4
105.07015	49.7
106.33495	0.3
107.04945	10.7
109.06513	3.2
110.03667	0.3
115.05453	2.1
117.07024	0.7
119.08585	0.6
121.06483	1.5
122.03640	2.5
124.05177	2.6
128.06221	0.4
131.04956	2.7
132.05659	0.5
133.06474	50.2
135.04367	0.5
135.07974	2.7
137.05960	72.3
143.08540	0.7
145.06499	0.7
145.07599	0.3
147.04375	0.4
147.08011	0.5
149.05959	1.9
150.06741	0.7
151.07506	0.7
161.05992	0.4
161.09560	0.5
162.06648	0.4
163.07515	10.8
163.09578	0.4
164.08313	3.6
165.09084	100.0
171.08075	0.5
175.07529	6.5
175.11253	0.6
177.09111	0.7
179.60500	0.3
181.08569	1.5
188.08238	0.6
203.10623	3.6
221.11732	5.1
281.01636	0.4
313.00394	0.3
321.47565	0.4
345.16922	2.4
379.25943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	85.0
60.14659	1.0
67.05493	2.2
68.36393	1.3
69.03436	4.3
70.06564	1.4
72.08127	5.2
73.02890	1.4
78.73138	1.0
81.03387	2.4
84.04464	1.0
84.08120	6.8
85.02886	23.3
87.04462	1.1
91.05454	5.7
93.07021	5.7
95.04923	2.1
95.08577	2.7
97.02869	34.1
98.97561	1.3
105.03395	1.9
105.07033	5.6
107.04940	57.4
109.02884	1.7
111.04445	11.2
113.05983	6.7
115.03912	28.3
115.05453	2.4
115.31931	1.2
119.04922	7.7
119.08545	2.0
121.06477	2.9
123.04394	2.8
127.03877	2.3
128.06181	6.8
133.06488	15.4
135.07997	1.3
136.64572	1.1
137.05977	7.9
143.08551	6.7
144.10184	5.8
145.06448	1.8
147.04387	25.5
147.07996	9.3
149.05983	1.9
153.05464	6.6
153.06987	5.6
154.05800	2.4
157.06462	4.9
160.05165	1.5
163.11014	1.4
171.08029	28.6
173.05983	1.9
174.06686	2.0
175.07501	36.9
181.08649	5.0
181.12138	1.7
182.08899	2.7
184.05180	2.9
199.07535	22.1
199.09502	2.7
199.13380	2.2
200.09921	1.4
217.08565	100.0
219.10135	9.7
372.75119	1.4
379.18774	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10202	0.4
55.01866	0.5
55.05489	0.4
59.01769	0.4
67.05459	0.6
69.03405	0.8
79.05465	3.2
81.07024	2.2
85.02884	0.7
88.85134	0.5
91.05460	12.3
93.07011	2.0
94.04148	1.2
98.97604	0.7
103.05448	13.0
104.06239	1.1
105.07004	2.2
107.04926	4.2
107.08572	0.8
109.06481	0.6
115.05433	5.0
117.06987	5.9
119.08559	18.1
122.03645	9.7
128.06161	3.6
129.07019	6.7
129.75970	0.5
131.04906	19.5
132.05676	13.9
133.06493	0.6
135.08054	0.5
137.05956	86.4
141.06958	1.0
145.06479	2.7
146.07314	0.5
147.08026	18.0
148.05147	0.6
151.03882	0.6
151.07571	0.6
153.05472	0.8
158.07249	0.6
160.05180	10.7
161.05907	0.5
163.07507	22.9
169.06487	1.2
175.07512	100.0
179.07039	0.6
186.06581	1.5
187.07581	0.6
201.09042	1.1
233.09599	0.8
261.08786	0.6
302.17706	0.6
310.87357	0.5
325.14282	4.9
342.14191	0.6
378.26297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01803	0.6
55.05502	0.7
56.05019	4.4
57.07067	7.2
58.06592	12.3
69.07071	1.0
70.06564	1.8
71.08609	1.6
72.08142	19.5
81.07008	0.8
83.08577	1.0
84.08104	0.7
85.10148	0.7
86.06052	4.7
87.04466	1.6
88.62016	0.8
89.05997	3.8
91.05457	1.2
93.07022	0.9
99.16065	0.8
100.07610	4.3
118.08609	3.9
132.10178	70.5
134.08185	0.8
137.05954	4.8
148.09656	1.2
206.13828	1.4
210.13297	1.4
210.22177	1.3
212.23735	1.2
226.25249	1.1
286.27356	72.5
360.30972	1.9
377.07639	0.9
378.32062	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	378.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
58.02667	0.5
64.40977	0.4
66.47805	0.4
67.05499	1.0
67.37120	0.5
67.74401	0.4
69.03390	0.4
79.05476	0.9
81.03403	0.6
81.07031	2.4
85.02893	0.6
91.05462	10.0
93.07042	0.9
94.04158	0.9
94.51190	0.5
95.04965	3.0
95.08634	0.6
103.05457	3.2
105.07026	1.3
107.04973	2.0
109.06522	0.9
117.06961	0.6
119.04916	8.0
121.06465	2.0
122.03626	4.8
123.04446	1.2
129.06958	4.5
131.04897	7.8
135.08041	2.7
136.05186	0.8
137.05966	100.0
142.10687	0.6
143.04897	0.6
145.06459	1.0
147.04448	1.6
149.05923	4.7
151.03972	1.1
151.07539	30.0
157.06496	4.1
158.10571	0.6
161.05966	11.9
163.07512	8.3
165.05562	0.8
165.06970	2.1
165.09114	2.0
167.08549	6.4
174.06725	2.1
175.07518	2.5
177.09061	0.7
178.07698	0.6
179.06949	1.2
180.96150	0.5
181.08542	2.0
181.10075	0.8
182.07237	0.5
189.09053	10.5
193.06494	1.1
193.10146	2.6
195.08043	8.3
197.50500	0.5
207.10159	1.0
209.05975	0.6
209.09622	2.3
210.06706	1.1
212.08275	1.2
219.08167	0.6
220.08925	0.9
221.05946	2.6
221.07758	0.8
221.09628	3.6
223.07526	4.8
224.08289	1.0
225.09061	3.9
227.10635	13.0
237.09111	1.2
238.06230	2.1
238.09906	0.6
240.07837	0.6
249.09016	2.3
252.07796	0.6
253.08546	5.2
253.12149	5.0
255.10107	11.2
256.11176	0.6
267.10052	2.6
269.07938	1.1
270.08884	0.5
272.10483	1.9
281.11813	2.2
284.10205	0.7
285.11111	6.9
287.12689	14.8
313.14294	11.3
331.15363	26.7
378.27164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
52.39181	0.0
53.03937	0.3
54.81905	0.0
55.01849	0.1
55.05498	0.1
57.25994	0.1
59.48056	0.1
67.05481	0.3
70.06577	0.1
77.03916	0.3
79.05475	1.5
80.58537	0.1
81.07034	0.2
83.04974	0.1
90.80713	0.1
91.05455	0.9
93.07008	0.1
95.04967	0.6
95.08604	0.1
97.10143	0.1
103.05456	0.7
105.03392	0.5
105.04524	0.1
105.07020	0.6
107.04925	0.6
109.06509	0.1
115.05419	0.3
117.07010	0.1
119.04924	1.0
119.08574	0.1
121.06482	0.1
121.10207	0.1
122.03657	0.1
129.06973	0.1
130.04179	0.1
131.04922	0.7
133.06464	0.5
135.04399	100.0
136.04727	0.1
137.05963	3.8
140.10649	0.1
147.04399	0.7
148.05157	0.3
149.05939	0.4
150.06738	0.3
151.07530	0.1
157.06427	0.1
161.05927	1.4
161.09612	0.1
162.06697	0.5
163.07487	0.6
167.07039	0.1
174.06654	0.1
177.09091	0.4
179.06998	2.3
179.73270	0.1
184.57286	0.1
189.09053	0.6
213.25833	0.1
254.17455	0.1
264.11591	0.1
272.10425	0.4
293.11661	0.3
313.14291	0.4
325.14362	0.1
325.23611	0.1
343.15103	0.1
378.31857	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	378.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65679	0.1
52.65935	0.1
53.03913	0.2
55.01851	0.2
60.06974	0.1
64.34062	0.1
67.05481	0.3
72.91059	0.1
77.03878	0.2
79.05466	1.6
81.07026	0.3
87.04422	0.3
91.05466	2.0
93.07002	0.6
94.69505	0.2
95.04937	0.3
103.05446	6.0
103.13243	0.2
105.03370	0.2
105.06995	0.4
107.08553	0.8
108.05700	0.2
109.06472	0.2
109.76801	0.2
115.05412	0.8
116.06218	0.2
117.06998	3.4
119.04917	1.4
121.06447	1.1
123.04375	0.2
123.08052	1.9
128.06195	0.3
131.04900	16.8
133.06480	0.3
134.07208	0.3
135.04393	21.7
135.07994	1.3
137.05927	1.0
143.08536	0.9
144.05701	0.2
145.06433	1.0
149.05986	1.5
149.09566	0.7
151.07524	10.0
161.05948	32.0
162.06731	2.5
163.07462	0.8
171.08008	0.9
173.71719	0.2
175.07513	2.2
177.09074	100.0
190.20329	0.2
195.10136	5.6
203.10600	0.9
221.11688	10.8
227.29440	0.2
273.20374	0.3
290.88101	0.2
297.11188	0.7
299.12799	0.4
317.35394	0.2
343.15515	0.3
357.08139	0.2
377.25058	0.2
378.25885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00534	0.1
53.03912	0.2
53.10172	0.1
57.03420	1.0
61.02911	0.7
66.55569	0.2
69.03415	1.6
73.02895	0.2
77.00144	0.2
81.03387	1.1
85.02891	8.3
91.05475	0.3
94.04160	0.4
97.02868	1.9
103.05430	0.2
109.02865	0.3
112.30098	0.2
114.01271	0.2
119.04910	0.7
122.03632	1.9
127.03897	0.8
131.04915	0.8
137.05956	100.0
138.93440	0.2
142.20563	0.2
145.04959	0.7
151.07512	1.1
163.07469	1.3
175.07564	0.2
178.31290	0.2
181.08557	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	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01859	0.3
57.03419	0.8
61.02914	1.2
69.03410	2.2
71.04980	0.3
72.69085	0.1
73.02900	0.4
81.03397	1.6
85.02892	8.6
89.90427	0.1
91.03953	0.2
91.05462	0.6
92.09299	0.2
92.63573	0.2
94.04169	0.3
94.53709	0.1
97.02869	2.0
99.04455	0.2
99.40572	0.1
103.05434	0.2
107.04897	0.4
109.02867	0.8
119.04905	0.6
119.74621	0.1
122.03640	1.8
127.03890	1.1
131.04921	0.7
133.19273	0.2
137.05959	100.0
138.06322	0.2
145.04935	0.8
150.37988	0.2
151.07523	1.0
163.06201	0.2
163.07529	1.2
175.07549	0.2
177.09030	0.2
181.08565	8.6
189.97075	0.2
245.08066	0.2
325.12878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45681	0.3
54.84488	0.3
55.01856	1.5
55.05488	0.8
57.03433	0.4
58.53780	0.3
61.50026	0.4
64.10151	0.3
65.03907	0.6
67.05485	3.9
69.07041	0.9
70.06554	0.5
79.05477	6.2
81.07040	4.3
83.08583	0.5
85.02873	0.4
91.05453	2.7
92.44141	0.4
93.07015	2.4
95.04919	1.9
95.08569	3.3
97.06519	1.5
99.08045	0.4
103.05453	2.8
105.07011	45.9
107.04939	5.8
107.08584	1.8
109.06499	2.9
109.10123	1.9
111.04453	0.6
115.05410	0.8
119.04903	0.8
119.08540	0.6
121.06449	0.5
121.10151	0.9
122.03610	0.9
124.05183	2.5
133.06467	47.7
133.10080	1.8
135.04381	5.1
135.11656	1.6
137.05952	65.5
147.04378	0.7
150.06668	0.5
151.07510	0.9
161.05991	1.6
163.07527	2.3
165.09076	100.0
168.10934	0.4
189.09122	0.4
215.17900	0.6
292.98682	0.4
297.83658	0.4
325.23715	2.9
343.15195	0.9
343.24545	1.6
382.04941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02421	0.2
53.03942	0.4
55.01871	0.4
57.03422	1.8
60.72763	0.2
61.02908	1.4
66.19066	0.2
69.03413	2.5
73.02884	0.3
79.05478	0.3
81.03417	1.6
84.22095	0.2
85.02895	12.5
86.78715	0.2
91.05460	0.9
93.07004	0.4
95.04919	0.2
97.02888	2.4
103.05470	2.0
103.45737	0.2
105.07040	1.7
107.04942	8.4
109.02841	0.6
119.04945	0.5
121.06501	2.4
122.03638	2.2
123.04314	0.3
127.03865	1.1
131.04909	2.2
133.06456	0.4
135.08037	1.9
137.05962	100.0
145.04953	0.9
148.05165	1.5
149.05995	1.9
151.07529	1.3
163.07512	4.6
165.09096	1.7
175.07504	0.5
181.08569	19.2
191.89398	0.2
262.56107	0.3
289.04333	0.3
322.77567	0.2
333.54282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01841	0.4
57.03414	1.3
59.04976	0.2
61.02912	2.8
62.76964	0.2
69.03417	4.0
71.04988	0.4
73.02884	0.9
81.03401	2.3
82.22147	0.2
85.02893	15.2
87.04439	0.2
91.03914	0.6
96.37674	0.3
97.02875	3.6
99.04436	0.5
104.09483	0.2
107.09546	0.2
109.02881	1.3
119.04953	0.5
122.03634	2.0
127.03889	2.0
130.78555	0.3
131.04913	0.5
137.05962	100.0
138.06332	0.3
145.04967	2.0
151.07542	0.5
163.07513	1.6
180.08743	0.3
181.08559	9.9
204.58658	0.2
216.12245	0.3
307.11774	0.2
315.63626	0.3
378.26877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
57.03423	0.9
61.02910	1.1
64.32985	0.2
69.03419	2.1
81.03393	2.3
85.02892	8.6
91.03935	0.2
91.05461	0.4
97.02887	2.4
98.68674	0.2
103.05429	0.2
103.43113	0.2
107.04934	0.3
109.02866	1.1
119.04916	0.9
122.03630	2.0
127.03889	1.1
131.04935	0.5
131.27257	0.2
137.05960	100.0
138.06313	0.4
145.04915	0.4
151.07533	1.8
153.05505	0.3
163.07523	1.7
175.07552	0.5
181.08562	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	377.1594
Annotation	GGBCE
Peak:m/z	Relative Intensity
51.43974	0.7
51.61678	0.6
53.00277	0.8
53.03933	2.9
54.12012	0.7
55.01863	6.4
65.03924	3.2
67.05481	3.3
69.03416	0.9
71.01344	7.2
72.61988	0.7
73.81504	0.7
76.89835	0.7
79.05473	18.3
81.07044	3.0
85.02884	1.0
91.05460	14.7
93.03403	2.9
93.07032	4.9
95.04955	12.7
95.08537	0.8
103.05450	29.0
105.04498	1.3
105.07013	11.6
106.04185	1.0
107.04940	89.3
107.08583	1.7
107.20495	0.7
108.02068	3.3
109.02855	1.0
109.06507	1.1
110.03635	0.8
111.04429	4.4
115.05441	11.5
117.06947	2.8
118.04158	3.2
119.04897	5.7
119.08581	1.0
120.05759	2.8
121.06482	13.5
122.03605	1.1
123.04406	4.8
125.05978	3.4
126.51516	0.8
127.47690	0.8
131.04915	9.8
131.08479	1.4
133.02798	6.3
133.06451	1.7
135.04391	15.8
135.08035	17.4
136.01520	0.8
137.05954	41.2
138.06715	4.4
141.05432	3.4
145.07605	1.2
146.03621	4.1
147.04434	8.4
149.05966	10.4
150.06776	7.6
151.03893	100.0
151.05014	10.9
151.07489	1.8
153.05460	8.8
157.06493	0.8
161.05956	16.8
161.09607	4.2
163.03864	4.8
163.07509	74.2
165.05421	1.8
167.07007	3.8
171.88057	0.8
174.06755	0.9
175.07513	3.3
177.05449	8.2
178.06209	27.0
179.07024	4.5
181.08556	30.7
182.09357	4.8
189.05400	4.7
189.09125	5.2
195.06448	9.3
196.07275	8.3
202.43060	0.8
207.10153	5.0
268.06949	0.9
283.09573	3.3
283.13281	1.8
305.37512	0.8
311.12811	0.8
319.85315	0.8
327.12228	1.9
329.13800	4.3
331.54868	0.9
359.14832	1.8
376.25595	1.4
377.15875	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43914	6.4
55.01865	12.4
55.05503	31.3
56.27121	7.1
56.96561	7.0
57.03431	35.0
57.70188	7.4
67.05489	86.6
69.03433	7.8
69.07053	16.9
71.08619	100.0
73.73470	6.4
76.56200	8.9
79.05486	84.6
81.03387	6.9
81.07046	53.9
85.06553	8.2
91.05459	62.2
93.07022	68.0
95.04955	17.6
95.08583	39.2
97.06545	13.9
99.08075	46.9
104.37146	7.4
105.06989	66.5
107.08593	28.8
109.10126	10.3
117.07001	30.5
119.08575	28.8
121.10131	13.2
122.97343	7.9
129.06990	12.6
131.08537	31.0
143.08481	9.6
145.10132	43.7
151.11198	15.2
159.11629	9.2
163.11179	9.5
171.11693	49.1
187.14674	10.2
189.12785	8.9
201.16432	7.5
219.17328	7.8
236.06104	8.5
257.07019	9.4
272.00125	7.4
286.99615	6.7
336.18784	23.7
372.94250	8.6
377.26736	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2478
Annotation	Tuberostemonine N
Peak:m/z	Relative Intensity
53.30415	0.6
55.05504	0.9
57.03414	1.2
67.05476	3.9
69.03404	0.7
69.07034	3.1
71.04975	8.0
71.05833	0.6
75.77633	0.7
79.05458	4.6
81.03351	0.7
81.07036	6.6
83.04965	1.1
83.08658	0.7
86.16885	0.8
87.04448	25.2
91.05453	2.9
93.07032	3.9
95.04955	1.1
95.08607	2.7
97.06506	3.8
100.60004	0.8
105.07013	3.1
107.04970	0.9
107.07326	0.8
107.08588	3.0
109.02876	0.7
109.06530	1.1
109.10206	0.8
111.08031	0.8
117.06993	1.7
118.06499	10.5
119.08572	1.1
121.06495	1.0
121.10098	1.0
121.64673	0.7
128.06281	0.8
130.06490	0.8
131.04933	1.2
131.07283	2.7
132.08058	8.7
133.08891	0.9
133.10014	0.7
134.09657	0.9
135.08078	1.0
137.05959	4.9
146.09615	5.3
160.11159	1.3
161.21764	0.7
172.11122	0.7
188.48164	0.8
244.20570	3.5
265.08401	1.2
266.65079	0.8
269.14456	0.7
272.20041	45.5
290.21069	28.8
291.19498	1.7
309.11078	1.3
376.24747	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	376.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	1.4
53.03929	2.4
54.45362	0.9
55.01871	20.0
55.05509	35.2
57.03430	17.1
57.07069	12.5
67.05148	1.5
67.05494	35.3
69.03410	10.9
69.07059	26.7
71.01319	2.1
71.02721	0.9
71.04976	5.5
71.08614	28.6
72.00273	1.0
79.05476	25.0
81.03394	23.4
81.07042	29.9
83.04965	7.2
83.08604	29.2
83.36177	1.1
85.02900	1.2
85.06532	1.9
85.10167	26.0
85.24155	0.9
91.05458	31.8
93.07027	37.9
95.04953	17.1
95.08585	43.9
97.06519	11.7
97.10136	1.8
99.04417	2.3
99.08072	14.1
105.07018	15.8
107.04926	4.4
107.08602	8.7
107.09196	1.0
109.06483	5.6
109.10156	13.9
111.08054	18.6
111.11715	1.3
113.09628	20.9
117.07008	2.4
119.03384	1.3
119.08562	29.4
121.06466	8.6
121.10136	24.1
123.08037	6.9
129.06993	1.4
131.08542	5.6
133.10135	15.2
135.08005	10.8
135.11664	2.0
135.36139	1.0
137.09593	25.4
139.11177	10.5
147.08035	3.8
147.11655	6.1
149.09595	4.2
151.11168	28.1
153.09093	1.7
153.12733	1.6
155.10652	14.6
157.10132	2.2
161.09581	1.7
161.13188	1.9
165.09093	3.5
165.12691	29.1
165.13939	1.8
167.10521	1.6
169.08586	8.3
171.11684	1.9
173.11737	1.2
175.11050	1.2
179.10585	1.2
187.13261	12.2
193.12207	1.2
203.17923	4.5
213.16368	1.5
221.19069	7.8
231.17432	5.8
241.14349	1.3
249.18436	29.8
267.19421	11.1
270.32059	1.0
323.22116	65.2
341.23166	100.0
342.09772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
53.37881	1.7
55.01863	10.6
55.05502	23.8
56.67716	1.6
57.03433	44.0
57.07064	17.4
57.35921	1.9
62.36586	1.8
65.03913	1.9
67.05495	48.9
68.34599	1.8
69.03392	2.2
69.07053	27.5
71.04979	4.0
71.08613	37.0
79.05477	56.7
81.03397	11.2
81.07037	39.7
83.04958	19.2
83.08604	21.1
85.06503	4.5
85.10168	38.1
91.05462	66.7
91.56397	2.2
93.07025	100.0
95.04954	19.6
95.08573	32.7
97.06522	8.5
99.08069	16.6
103.03912	7.7
105.07005	41.4
107.04954	5.0
107.08569	26.5
107.28440	2.1
109.06527	3.0
109.10133	21.6
113.09639	44.4
117.06990	10.5
119.08546	35.9
119.09288	2.4
121.10113	42.3
123.08058	3.3
128.06250	2.9
129.06975	8.5
131.08566	12.3
133.10112	33.1
133.65125	2.1
135.04445	4.8
135.08049	9.9
137.05992	10.4
137.09592	9.5
139.11182	10.2
143.08565	3.9
145.06514	2.1
147.07996	8.1
147.11671	12.1
149.09612	21.6
150.12766	2.3
151.11153	29.5
157.10126	2.7
161.09584	3.0
161.13316	3.6
165.12688	19.6
167.10652	7.9
171.11673	2.7
173.11728	4.8
189.16357	8.7
203.17947	13.0
213.16422	8.5
221.18956	32.1
231.17445	19.3
241.14236	38.5
249.18430	33.7
267.19589	7.2
323.22162	23.7
341.23108	33.7
377.17896	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	376.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01861	0.9
55.05495	1.3
56.05044	0.2
56.73541	0.2
57.03411	1.4
61.02915	2.2
66.43594	0.2
69.03415	4.3
69.07041	0.3
71.04977	0.4
73.02896	1.0
73.53458	0.2
76.01326	0.2
76.55565	0.3
79.05453	0.3
81.03408	2.0
84.04483	0.5
85.02888	15.1
87.04429	0.3
91.03926	0.5
91.05457	8.0
93.63651	0.2
94.06541	0.2
97.02875	4.3
97.06495	0.3
99.04440	0.4
103.05453	0.5
105.07000	0.9
105.53620	0.2
107.04949	0.9
109.02872	1.4
109.06495	0.5
110.04743	0.5
119.04940	1.9
119.08557	3.9
119.65331	0.2
120.08086	1.7
122.03611	1.7
122.09693	0.3
123.08053	0.4
124.07555	4.1
125.05946	1.0
127.03867	1.8
129.06958	0.9
130.06523	2.1
137.05952	100.0
138.06300	0.9
138.09111	3.9
140.10689	0.4
145.04971	1.5
146.09604	0.3
147.04323	0.3
147.08023	9.6
150.12746	1.8
151.07477	1.1
156.08043	3.7
161.05956	0.4
163.06024	0.3
164.36559	0.2
173.10722	1.5
178.12247	1.8
179.07072	0.5
179.10640	10.9
180.08624	1.0
184.07573	3.7
186.09111	0.2
196.13257	0.5
197.11732	1.0
201.10188	5.1
210.92451	0.2
214.14337	10.2
229.09651	4.5
257.09189	0.3
330.14447	0.5
358.13922	2.0
376.19687	1.4
392.94846	0.2
396.99289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76795	1.2
51.47218	1.4
55.05512	1.6
63.46064	1.4
63.99227	1.2
66.16257	1.3
67.05507	2.0
67.79738	1.4
70.59429	1.3
75.69321	1.3
77.00890	17.5
79.05459	1.8
81.07006	2.1
95.01931	16.3
115.35486	1.4
187.08163	5.9
205.09128	2.7
223.11636	1.7
225.13326	13.5
227.11192	2.8
241.12724	7.6
243.14354	100.0
261.15439	37.7
271.14102	1.3
335.21710	21.4
353.21652	90.9
371.22433	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.0
55.05490	2.7
56.96552	1.8
57.03392	1.9
67.05492	7.5
69.03387	2.0
69.07043	2.3
69.60889	2.0
79.05470	11.4
81.07021	3.3
91.05467	25.4
93.06985	2.9
95.04955	2.8
95.08584	2.4
97.06478	2.7
103.05437	36.4
105.07006	31.6
107.04929	41.9
115.05409	13.1
117.06980	10.2
119.04911	26.8
119.87364	1.9
121.06480	8.5
121.10110	2.3
129.06972	2.8
130.04141	12.0
131.04884	10.2
133.06427	15.3
133.79005	1.8
135.04396	100.0
135.08040	17.1
137.05962	38.8
141.58081	1.9
145.06471	3.7
147.04382	28.5
148.05186	16.1
149.05934	10.4
151.03891	14.5
151.07491	3.0
157.06387	2.7
159.04430	2.6
160.05161	39.4
161.05942	7.9
161.09616	3.6
162.06703	3.2
163.07498	39.0
165.09068	23.3
169.06380	2.2
173.05916	2.3
175.07506	3.6
177.05457	4.2
177.09009	13.6
183.47198	1.9
189.09103	17.6
189.10548	2.0
197.06067	1.9
209.05954	3.9
213.54823	1.8
222.59598	1.9
224.08093	2.4
225.05400	2.3
237.05440	4.1
270.08801	32.6
282.08844	9.8
293.11676	8.6
311.12738	14.8
323.12766	13.4
355.71170	2.0
358.23651	3.7
364.27548	2.4
376.25244	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00754	0.3
53.03913	0.4
53.27309	0.3
55.01845	0.6
55.05496	0.5
57.03420	0.6
61.02905	2.0
64.17652	0.3
64.61660	0.3
67.05495	0.5
69.03409	3.5
69.07046	0.8
71.04948	0.4
71.20712	0.3
73.02899	0.3
79.05460	1.9
81.03408	2.4
81.07033	1.5
84.04488	1.5
85.02891	14.1
91.03941	0.6
91.05463	4.1
93.07020	7.7
95.04946	3.2
97.02859	2.4
99.04417	0.6
102.27614	0.4
105.07014	6.7
105.13303	0.3
107.04928	0.3
107.08579	24.6
109.02849	0.7
109.06478	1.5
109.10133	2.5
115.16605	0.3
119.04894	1.5
119.08561	6.5
121.02809	0.3
121.06472	2.1
123.04427	0.8
123.08027	0.3
123.11644	1.5
126.37115	0.4
127.03896	1.5
130.04979	0.8
133.06450	0.8
133.10106	25.8
135.04391	28.8
135.08026	0.5
135.11668	26.1
137.05963	3.7
137.09581	2.3
137.55109	0.5
145.04921	0.7
146.07271	0.5
147.04388	0.5
149.05983	0.5
151.11174	2.8
152.51070	0.3
161.05983	2.0
161.09579	14.0
179.07272	2.6
179.10635	47.4
197.11697	100.0
198.11989	0.4
198.17413	0.4
315.04126	0.3
359.16971	3.2
381.26172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2736
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.03930	3.0
54.81406	1.4
55.01864	3.1
55.05507	40.4
57.03417	2.5
57.07059	9.0
59.04983	3.1
59.17726	1.3
60.85220	1.6
67.05499	28.6
69.03412	9.7
69.07056	77.1
71.04971	2.7
71.15897	1.6
73.06532	2.6
79.05485	20.4
81.07043	100.0
83.04957	10.5
83.08605	11.6
85.06525	11.7
90.34980	1.4
91.05470	7.3
91.62614	1.8
93.07024	40.2
95.04943	12.6
95.08585	70.7
97.06526	13.1
97.10147	57.3
99.08058	10.4
100.11216	2.3
101.06008	2.1
103.05448	1.9
105.07007	24.5
107.08587	30.0
109.06499	10.5
109.10149	20.9
111.08084	17.4
111.11712	21.0
115.11215	1.6
117.07014	1.9
119.08569	19.6
121.10109	30.2
123.08029	6.4
123.11693	70.1
125.09595	2.3
128.06238	1.8
131.08472	3.1
133.10095	11.3
135.08012	1.9
135.11678	19.0
137.05991	12.9
137.13228	2.5
139.11159	36.3
143.08586	2.3
145.10091	10.5
147.11664	19.9
149.09560	3.7
149.13225	2.0
151.11226	3.3
153.12744	10.7
157.10149	4.0
157.12228	15.2
159.11691	7.9
161.13184	6.4
165.12701	7.4
173.13254	1.9
175.14690	1.8
177.12715	3.3
187.13268	3.2
187.14755	2.2
203.12738	6.8
237.18393	2.0
251.16385	7.4
257.22650	1.8
265.17786	1.8
275.23727	3.2
291.23096	8.5
303.23099	25.4
309.24048	4.0
321.24243	33.5
339.25250	8.3
375.17645	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.81522	0.4
55.01861	1.5
55.05490	0.6
56.96568	0.4
57.03420	2.3
58.52173	0.3
61.02910	3.8
66.12268	0.3
67.05478	0.4
69.03413	7.2
70.06580	1.3
71.04966	0.6
72.08122	0.8
73.02901	1.4
80.40000	0.4
81.03397	3.9
81.07040	0.5
84.04494	0.5
85.02891	25.4
86.03236	0.4
87.04454	0.5
91.03925	1.4
91.05453	0.6
93.07010	0.6
97.02866	7.7
98.97570	0.8
99.04440	1.6
100.02168	0.7
105.07030	0.6
106.90235	0.4
107.04942	1.3
109.02856	2.3
109.06524	0.4
116.07111	0.5
116.98602	0.5
119.04934	0.6
121.06384	0.4
122.03635	0.4
125.06001	0.4
127.03850	3.0
131.04907	0.5
131.08525	0.5
137.05956	100.0
145.04950	2.9
147.04387	2.2
149.09557	0.4
151.03900	1.7
151.07530	1.5
163.07538	0.8
175.07515	0.5
177.00681	0.5
179.07013	16.4
179.10641	1.5
180.08650	1.5
189.35002	0.4
191.06995	2.2
197.08051	4.0
206.07022	0.4
208.09666	1.6
224.08003	1.3
228.61746	0.4
250.14410	0.6
265.05914	0.4
305.10059	0.5
376.13477	0.6
385.11267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Platanionoside J
Peak:m/z	Relative Intensity
53.00295	2.2
53.03936	4.9
55.01865	12.8
55.05263	1.6
55.05508	27.7
57.03423	14.4
57.07050	7.2
59.04971	4.3
61.02640	1.2
61.02916	19.0
62.03849	1.0
67.05492	11.5
69.03417	47.8
69.07053	51.4
70.06557	2.4
71.04976	12.0
73.02897	7.9
79.05460	9.0
81.03391	20.6
81.06595	2.0
81.07037	34.0
83.01313	1.4
83.04964	12.3
83.08603	9.7
85.02888	100.0
85.06539	21.1
87.04449	6.6
91.03934	4.5
91.05460	6.4
92.63303	1.4
93.07023	19.9
95.08583	46.3
97.02867	38.9
97.06530	7.9
97.10147	12.7
99.04416	7.0
99.08070	25.1
101.02362	1.4
101.71808	1.3
105.06999	2.6
107.08582	27.8
109.02867	13.8
109.10133	17.6
111.04420	2.1
111.08039	1.6
111.11707	7.2
113.09608	5.8
115.03909	1.6
121.10126	38.1
123.08014	1.1
123.11697	6.1
125.09587	6.2
127.03883	17.9
135.11647	19.7
137.05980	8.4
137.13234	16.6
139.11136	9.3
145.04941	7.5
147.04272	1.4
149.13232	4.7
151.14806	1.5
153.12708	7.5
177.05501	1.2
177.16350	66.6
184.46414	1.4
195.17409	30.8
213.18472	47.2
237.78423	1.7
243.92938	1.4
305.98328	1.1
375.23764	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	375.1436
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
55.01868	1.8
55.05495	1.0
67.05481	2.8
69.07063	1.6
70.06579	1.0
71.04998	1.8
74.09704	2.2
79.05472	5.1
81.07046	6.3
84.08162	1.3
91.05473	8.4
92.09301	1.6
93.07028	2.7
94.04149	1.4
95.04925	2.1
95.08562	1.5
97.06487	2.1
103.05471	2.0
105.07024	3.0
107.04993	1.5
109.10140	1.9
109.23318	1.2
111.04439	4.9
115.05432	5.2
121.06475	5.5
121.91138	1.2
122.03645	7.2
129.07010	1.9
131.04933	5.4
131.08443	1.4
133.06473	1.7
135.00604	1.3
135.04433	4.7
135.08046	1.4
135.11841	1.2
137.05963	66.2
143.04912	2.0
143.08545	1.4
146.03650	5.6
147.04390	2.4
149.05981	5.7
151.03854	2.8
151.07440	2.4
153.05429	6.2
161.05959	34.2
163.07552	6.1
165.06999	14.0
167.08505	2.5
175.07471	5.3
177.05519	1.3
178.07776	1.8
179.07074	2.8
179.08542	6.5
181.06526	1.7
182.07259	6.5
188.04669	7.6
191.07024	7.0
193.06438	22.8
194.07213	2.3
197.09659	1.9
203.07014	16.7
206.07291	1.3
207.07988	6.7
209.06029	1.9
210.06725	20.1
210.37613	1.2
211.07547	5.3
213.09114	1.8
221.05956	26.1
223.07545	1.6
224.08287	6.9
225.09070	38.5
227.07002	2.4
234.06625	2.0
235.07494	9.5
237.05446	2.7
238.06190	19.7
239.06937	1.7
239.10594	2.6
249.09067	4.9
251.06979	1.9
252.07816	5.8
253.08554	60.0
255.06450	5.6
264.75244	1.5
265.08575	2.4
266.09509	1.5
267.10153	22.1
269.07944	2.3
270.08743	8.9
277.08600	7.4
280.07202	2.9
281.79919	1.7
282.08920	2.3
285.11176	100.0
294.08853	1.8
295.09619	7.9
297.11166	8.1
299.12799	1.5
307.09698	2.9
309.11209	9.9
325.10602	2.8
327.12219	70.7
342.69162	1.4
344.14761	1.3
345.13263	9.2
357.13382	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	375.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.4
55.05492	0.5
61.02915	0.5
64.33174	0.5
67.05478	0.6
69.03419	2.9
69.07042	0.5
70.06589	2.0
72.08132	0.6
73.02900	17.7
78.66447	0.5
79.05485	1.1
81.03369	0.6
81.07021	1.0
84.04475	0.6
85.02912	4.8
86.09682	1.3
91.05464	2.2
94.04169	0.6
95.04934	1.0
97.02868	1.1
97.06467	0.7
98.97527	0.7
103.05469	0.9
105.03351	0.6
105.07018	2.5
107.04939	2.3
107.08568	0.9
109.02839	0.8
109.06493	2.0
115.05431	0.7
116.98579	1.1
119.01874	1.3
119.08546	0.9
121.06481	2.3
121.10115	0.5
122.03627	1.2
123.11678	0.6
127.03853	0.7
129.06955	0.6
130.57933	0.6
131.04932	0.6
135.04367	2.8
137.05959	25.1
138.09094	1.1
143.01877	0.8
146.03601	2.4
147.04407	1.3
149.05966	3.1
151.03923	2.1
151.07553	1.2
152.06194	0.7
153.06999	2.3
161.02872	1.2
161.05946	10.9
162.03073	0.7
163.03882	2.5
165.05605	0.6
165.06981	4.0
167.08513	1.0
175.07513	2.3
176.10759	0.7
177.05469	2.9
177.09174	0.9
178.09416	0.7
180.05656	1.2
181.06499	4.1
182.07179	1.2
183.07899	0.6
191.06976	1.2
193.06522	2.6
194.07143	2.3
194.11714	1.2
195.06311	0.7
195.08041	1.2
196.05115	1.0
197.05952	2.9
200.01230	0.6
205.06517	0.6
208.05161	2.8
209.05966	2.0
210.06679	4.6
211.07527	3.2
212.08281	1.3
212.12752	1.0
213.05453	0.9
213.09073	2.6
213.14787	0.8
213.20035	0.6
218.07405	0.7
219.07964	0.8
221.06017	4.2
222.06689	2.1
223.05965	2.9
223.07785	0.7
224.08206	1.1
225.05403	3.5
225.09018	3.9
227.07187	0.7
228.07799	0.7
234.06702	1.1
235.07443	0.7
236.04721	1.2
237.05467	0.9
237.09143	0.8
238.06276	2.1
239.07042	1.2
240.07773	3.2
241.08572	2.5
245.05040	3.0
250.06323	0.6
251.06924	2.3
253.04884	0.7
253.05533	0.7
253.08549	16.0
255.06630	0.9
258.08829	3.1
261.08994	0.6
265.08539	0.7
267.10095	0.6
268.07153	3.3
269.08105	2.1
270.08850	5.3
273.11212	5.6
279.06421	2.3
283.09546	1.0
285.11224	6.3
289.08423	0.7
295.09506	2.6
299.05688	1.7
299.09082	5.7
311.09091	4.1
311.12482	1.3
313.06757	1.1
315.08542	3.4
325.10553	2.7
339.12131	1.0
345.13239	5.7
357.13205	8.9
374.18359	0.7
375.14499	9.4
375.19778	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	375.1436
Annotation	Annulin C
Peak:m/z	Relative Intensity
52.95417	1.2
55.01870	17.9
55.05505	1.8
67.05489	3.1
69.03408	2.0
69.07053	3.7
70.06573	2.8
73.02902	100.0
74.50636	1.4
79.05460	2.4
81.07059	11.9
84.08126	2.1
85.02907	2.1
91.03947	1.9
91.05489	3.8
93.07032	6.4
95.04961	3.2
95.08586	9.6
99.08082	6.7
103.05434	2.1
105.06990	10.8
107.04958	2.5
107.08588	7.5
109.06515	2.4
109.10127	2.6
111.08065	2.5
111.33591	1.7
115.05460	3.3
119.04951	2.9
119.08566	2.6
121.06494	9.2
121.10134	9.2
122.03613	7.2
129.52425	1.4
131.04892	3.8
133.06494	6.1
137.05969	77.8
146.03627	10.6
147.04424	6.6
149.05984	20.6
149.09612	1.7
151.03908	3.1
151.07523	7.9
152.06194	7.4
153.07018	8.3
161.04721	3.1
161.05965	61.3
161.07353	2.3
162.06779	2.1
163.07611	2.1
165.05690	2.3
165.06963	22.1
165.09148	1.6
166.07747	1.8
167.08517	3.6
169.06473	2.5
177.05420	2.7
177.06853	1.8
177.09087	2.1
177.16409	5.6
178.07742	2.5
179.07108	1.7
180.05682	9.3
181.06464	21.2
182.07317	12.1
189.07085	1.9
191.04993	3.0
191.06967	9.1
193.04881	1.8
193.06468	6.8
194.07278	10.7
195.08057	9.4
196.05199	8.6
197.05928	15.7
197.09727	3.6
198.06732	2.3
203.07059	1.6
205.06531	5.9
206.07193	2.0
207.08177	3.2
208.05142	19.1
209.05940	9.2
209.07919	3.1
210.06750	25.2
211.07576	18.9
212.08292	3.1
213.09183	15.3
213.18463	6.5
219.04437	6.5
219.08195	1.9
221.05981	16.1
222.06699	18.6
223.07455	12.0
224.08266	3.2
225.05478	17.2
225.09041	25.5
227.07082	3.1
227.11002	1.7
233.08177	2.5
234.06786	3.4
235.07518	3.8
236.04639	10.8
237.05414	6.2
237.09097	2.5
238.06212	14.8
239.06981	8.6
240.07704	22.4
241.08578	15.3
249.09111	1.7
251.06932	13.8
252.07880	6.1
253.04811	2.9
253.05528	2.6
253.08572	73.3
255.06467	2.5
258.08856	12.1
262.06116	2.2
264.07864	2.9
265.08585	7.1
268.07275	9.5
269.08093	8.8
270.08765	31.4
273.11200	26.1
277.08530	3.4
279.06543	11.1
279.09573	2.3
281.07959	2.2
283.09598	9.3
284.10361	2.6
285.11142	37.4
290.97910	1.7
295.09579	8.9
297.11252	6.8
299.09161	24.3
301.09409	2.0
311.09164	37.1
315.08646	26.7
322.52359	1.7
325.10699	18.4
339.12146	6.4
345.13278	17.1
357.13272	60.4
375.14328	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	28.7
55.05499	17.8
56.14161	6.2
56.96543	14.3
57.03419	7.3
58.96895	8.8
59.38894	6.7
59.45855	7.1
64.86275	5.8
67.05482	97.2
69.07046	45.0
70.75510	6.3
71.04980	17.8
77.87556	8.1
79.05467	28.9
81.03386	11.0
81.07043	87.5
81.96838	6.1
83.04968	31.2
85.06531	9.2
86.14975	6.3
91.05457	71.8
92.08665	6.8
93.07025	62.2
95.04954	51.0
95.08575	34.8
97.06528	17.7
105.07005	69.7
107.08585	70.4
109.06496	9.6
109.10154	100.0
111.43150	7.6
119.08551	14.6
121.06457	9.3
123.11712	9.2
125.09638	29.4
131.08571	8.9
133.10109	82.4
135.08022	8.8
137.05939	11.8
151.11157	38.6
161.09480	12.7
191.10625	8.1
209.11710	14.8
212.03537	7.0
236.03552	9.2
289.17990	71.3
295.19012	13.5
307.19067	87.7
325.19913	8.9
337.06451	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	374.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28210	0.4
51.39658	0.3
55.05486	0.9
56.96549	0.6
57.06818	0.6
57.07070	13.6
57.82002	0.4
58.06577	2.9
63.87734	0.4
70.06205	0.9
70.06579	24.5
71.08619	6.1
71.95937	0.4
72.08128	0.7
85.10175	1.9
86.09698	0.5
87.22375	0.4
88.07616	35.0
102.09162	19.8
109.31539	0.4
132.10167	1.8
146.11816	0.7
150.11256	0.6
161.26021	0.4
177.58536	0.4
268.29874	1.7
286.31119	0.6
312.32547	60.2
317.25571	0.5
351.18338	3.3
356.35321	5.2
369.19437	1.1
374.36230	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	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.31493	1.0
61.87363	1.2
65.03917	1.6
67.05488	6.1
69.07051	2.5
70.06570	1.1
77.79036	1.2
79.05499	1.8
81.03396	36.2
81.03873	1.2
81.07047	6.0
85.02873	1.3
91.05463	12.1
93.07024	5.8
95.04974	2.4
95.08583	5.9
95.89398	1.0
97.06507	1.1
103.05441	1.4
105.07032	4.2
107.04974	1.4
107.08568	4.8
108.02116	2.0
109.06503	1.7
109.10139	1.6
111.04436	1.4
115.05470	1.3
117.07007	2.5
119.04926	5.4
119.08589	2.3
121.06483	1.8
121.10139	1.6
122.03640	7.6
123.07999	2.0
125.05967	1.7
128.06200	2.6
129.06964	9.5
131.04926	4.8
131.08600	1.7
134.05965	2.3
135.04390	1.9
137.05957	65.2
138.06253	1.9
141.05457	4.9
141.92175	1.2
143.04857	1.6
145.06532	1.7
147.04367	1.8
147.08005	2.3
151.03891	100.0
151.05016	10.3
151.07530	5.2
152.07039	2.1
153.05499	2.0
157.05154	1.3
157.06392	8.7
161.05984	2.2
162.92915	1.4
163.07515	4.4
165.05574	1.3
171.04430	2.1
175.07503	4.3
177.08974	2.0
181.03447	1.4
189.09105	5.2
191.06995	2.0
195.10034	1.7
199.04509	1.2
203.07045	7.0
205.08498	13.7
233.08087	1.3
234.06752	1.5
253.18513	1.4
286.08340	1.4
327.12317	5.2
339.12317	1.9
357.13132	2.1
375.19025	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
54.81602	3.2
56.44166	2.1
57.07077	2.7
58.99857	2.6
63.91367	2.4
67.05494	10.9
69.07047	4.6
75.04368	2.7
77.00905	20.6
81.07048	14.7
95.01933	17.2
95.08569	3.8
105.06985	3.3
109.06506	3.5
118.99586	2.9
121.60049	2.7
131.01892	3.0
166.70361	3.0
185.06584	30.0
201.09528	4.0
203.07658	13.1
209.06493	2.7
209.10063	3.7
215.11279	5.7
225.13248	11.2
227.11314	5.2
241.12985	4.3
243.14388	100.0
261.15442	39.3
263.11176	4.5
266.15936	2.9
281.12326	16.7
282.13098	3.1
309.77417	2.7
333.20264	41.4
351.20151	97.8
374.21851	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	374.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.3
53.03943	3.7
55.01873	18.1
55.05267	2.4
55.05509	43.0
57.03432	69.0
62.86392	1.7
64.33592	2.0
65.03902	1.9
67.05494	60.4
69.03405	11.1
69.07058	57.1
71.01295	2.1
71.04974	7.6
75.95293	1.6
79.05479	100.0
81.03401	12.8
81.07044	62.3
83.04971	18.9
83.08603	41.9
85.02870	1.8
85.06528	3.2
87.68114	1.5
91.05463	86.7
92.08659	2.0
93.07026	94.5
95.04958	19.3
95.08585	42.2
97.06504	15.3
97.10188	2.8
99.04444	2.4
103.03946	3.0
105.07016	50.0
107.04958	20.2
107.08580	51.0
107.61848	1.6
109.06500	9.0
109.10145	9.0
111.04440	2.8
111.08072	8.4
114.58427	1.7
115.05412	2.5
117.06990	39.7
118.07800	2.1
118.08598	2.0
119.08563	35.2
121.06470	7.3
121.10123	37.6
123.08047	10.7
125.09628	8.8
128.06204	3.0
129.06979	11.5
130.07742	2.3
131.08545	53.0
133.06471	8.1
133.10109	22.8
135.08031	28.2
135.11636	2.8
137.09581	9.8
139.11186	10.4
141.06964	8.3
143.08548	3.4
145.10135	32.4
147.08052	3.4
147.11739	6.3
149.09602	38.1
151.11194	2.6
153.09048	3.7
155.08563	3.2
157.22113	2.0
159.07997	4.0
159.11665	11.1
161.09700	2.7
163.07545	2.0
163.11121	4.2
165.09131	3.1
167.10684	7.1
169.10088	11.3
173.09563	2.2
173.13248	3.3
177.09099	6.9
183.11644	3.6
185.13239	3.9
187.11179	3.1
187.14758	15.6
201.16394	9.5
202.12315	3.8
211.14801	11.5
219.17516	15.0
227.12778	26.5
229.15819	22.2
241.14256	32.9
247.16916	20.4
265.17969	7.4
321.20496	23.9
322.05167	1.9
339.21698	19.6
374.26761	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	374.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
53.08217	1.0
54.00965	1.1
55.01868	11.9
55.05505	46.7
57.03423	14.9
57.07092	1.6
59.96039	1.0
63.96503	1.1
65.03912	1.5
67.05491	34.3
69.03400	3.0
69.07048	19.1
71.04976	2.3
79.05472	52.2
80.27157	1.2
81.03389	9.4
81.07038	42.2
83.04955	7.4
83.08597	34.9
91.05453	40.9
93.07020	50.7
95.04932	18.6
95.08023	1.5
95.08588	30.9
97.06491	9.2
97.10150	2.0
99.08046	1.6
103.05456	1.8
105.07017	30.6
107.04942	28.7
107.08572	33.3
109.06493	11.0
109.10153	11.3
111.08050	10.7
117.06986	23.7
119.08559	24.9
121.06471	17.1
121.10107	16.3
123.08025	7.9
125.09595	2.1
129.06949	5.7
131.08554	25.3
133.06451	7.0
133.10095	17.0
135.08032	37.6
135.11627	3.2
137.09564	10.6
141.06969	5.2
143.08540	5.0
145.06480	7.0
145.10097	25.5
147.08006	5.9
147.11652	5.9
149.09602	54.1
151.11139	7.6
153.09085	1.8
155.08531	5.0
155.82208	1.4
157.10069	2.4
159.08031	2.4
159.11636	7.6
161.09575	1.4
163.07468	6.1
163.11151	19.4
169.08685	1.6
169.10063	7.5
173.13200	3.2
177.09076	2.6
183.11676	1.6
185.11717	1.8
185.13243	2.6
187.11108	2.8
187.14842	6.9
201.12831	1.5
201.16331	11.1
211.14812	8.3
219.17372	5.9
229.15811	20.7
237.15337	1.4
239.15616	1.5
247.16890	26.5
261.18283	1.7
265.17871	5.2
302.77554	1.5
321.20605	19.3
323.26666	1.6
339.21597	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	374.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01865	14.7
55.05268	2.4
55.05508	45.2
57.03434	12.5
58.89686	1.3
59.24014	1.7
65.03931	1.8
67.05492	33.0
69.03406	2.3
69.07053	20.8
71.04973	3.0
71.08624	1.6
73.29986	1.5
75.17998	1.4
79.05482	46.5
81.03401	9.2
81.07043	32.5
83.04968	8.5
83.08607	27.6
91.03410	1.5
91.05469	42.4
93.07028	52.3
95.04951	17.9
95.08593	28.9
97.06508	7.5
97.10143	1.5
105.07003	24.5
107.04946	29.2
107.08595	32.8
109.06496	8.8
109.10152	14.7
109.57086	1.6
111.08055	9.0
117.07003	26.6
119.08571	22.0
121.06491	17.5
121.10120	18.6
123.08057	7.5
123.66272	1.6
125.09635	2.3
128.06206	1.5
129.07013	3.7
131.08548	26.1
133.06480	8.6
133.10103	14.1
135.08022	37.7
135.11739	2.4
137.05966	2.8
137.09570	7.7
141.07008	3.7
143.08525	6.4
145.06497	7.2
145.10117	20.0
147.08025	2.1
147.11670	6.7
149.09615	42.7
151.11214	2.5
155.08524	2.1
157.10110	6.9
159.11697	5.9
161.09612	2.7
163.07492	3.0
163.11145	18.5
169.08655	3.0
169.10085	8.5
173.13264	2.1
177.09033	3.4
185.11778	1.8
185.13304	2.5
187.11145	2.2
187.14877	6.7
189.04903	1.5
201.16388	9.8
211.14786	9.6
211.54941	1.8
219.17393	6.5
229.15900	17.3
247.16902	22.3
266.17218	1.9
303.23141	3.8
321.05447	1.7
321.20575	24.8
339.21616	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	374.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48411	1.6
53.03933	2.5
55.01850	2.5
55.05495	2.9
57.03428	4.9
60.79026	2.0
60.84261	2.1
61.02888	4.8
62.73140	1.6
64.96609	2.2
67.05470	3.0
69.03405	15.2
70.06562	11.6
71.04961	3.6
71.89831	2.0
72.08132	44.7
73.02884	2.1
73.08457	2.0
75.04445	3.2
79.05474	2.9
81.03378	3.8
84.04441	2.0
84.08099	3.5
85.02879	30.6
86.09682	5.2
87.04434	4.0
91.05453	9.3
93.06985	2.5
94.06514	8.7
95.04921	7.5
95.08613	2.9
97.02863	11.5
99.04416	3.0
99.08092	2.4
100.88995	2.4
103.05454	2.3
105.06990	5.0
107.08557	4.1
108.08074	3.8
109.02829	4.7
119.04890	4.5
122.05991	27.4
122.09710	2.6
124.07572	8.0
127.03854	2.6
131.04953	3.0
131.08548	3.1
133.09979	2.6
136.07559	33.2
137.05960	20.1
138.09093	24.7
147.04376	40.1
148.04726	3.3
148.11182	15.0
151.03862	2.5
151.97128	2.2
153.05424	2.7
154.06160	3.1
176.10620	24.4
192.44937	2.0
194.11652	14.6
204.10107	22.9
212.10684	3.4
212.12769	100.0
213.07314	20.9
219.10179	2.8
219.40495	1.8
223.11580	2.1
259.14340	21.5
275.17392	4.5
367.21844	2.2
373.18210	3.2
374.17865	15.5
375.12518	8.8
380.19559	9.5
382.21228	9.0
394.55853	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
55.58186	1.4
56.68521	1.2
56.96560	35.5
57.17064	1.4
67.05491	1.6
69.07056	2.2
71.95244	6.0
78.66687	1.4
79.05481	2.7
81.07025	6.0
84.96004	2.1
91.05451	2.8
93.07006	1.8
95.08648	1.7
97.96806	1.6
98.31438	1.4
105.07026	5.8
105.63776	1.3
109.10100	1.9
110.97581	7.2
115.97767	2.2
119.08586	2.3
120.08901	1.4
128.98569	22.8
133.10060	2.1
142.07832	1.8
143.00156	2.2
146.99622	28.7
161.01221	5.3
165.00685	6.2
177.01836	1.8
179.02321	2.7
203.05829	2.2
245.10773	1.9
259.12149	2.7
263.09549	6.2
270.11426	2.2
281.10645	2.3
294.34598	1.3
303.12671	1.7
315.16190	34.6
321.13190	1.5
331.15909	3.2
333.17310	100.0
351.18405	39.6
351.22336	2.9
356.18680	3.1
359.01907	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24122	0.3
52.70421	0.4
55.01855	0.4
57.03411	0.8
61.02901	2.4
69.03412	3.5
70.06564	2.3
73.02891	0.6
76.55827	0.5
81.03399	2.6
85.02425	0.6
85.02897	12.5
86.09692	4.0
87.04459	0.4
89.03884	4.9
90.38921	0.4
92.08683	0.9
92.37748	0.4
97.02886	4.1
99.04442	0.5
103.05434	0.6
107.04945	0.5
109.02830	1.0
117.03366	18.7
121.06484	0.8
127.03916	2.0
131.04933	1.6
134.03603	1.8
135.04405	3.4
137.05925	4.6
145.02835	61.5
145.04863	2.6
149.05956	9.5
153.05379	0.5
155.02469	0.4
162.03043	0.8
163.03850	6.5
163.05943	0.5
163.07588	0.5
171.94167	0.5
177.05440	100.0
195.06511	27.9
303.84238	0.4
332.56122	0.5
372.96222	0.5
390.68445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.7
61.02915	2.8
69.03423	7.1
70.06567	4.9
72.08151	16.8
72.60912	1.0
73.02898	1.6
73.08486	1.7
81.03398	5.4
85.02885	16.7
89.03900	4.4
97.02895	5.3
103.05454	1.2
117.03381	20.3
126.98602	1.1
127.03907	1.4
134.03586	1.2
135.04385	4.7
137.05978	2.5
145.02840	59.0
145.04929	2.5
149.05977	11.4
156.04005	7.9
163.03888	5.2
177.05450	100.0
194.97101	1.1
195.06511	30.5
262.24133	1.3
276.08218	1.8
277.09021	2.4
312.68359	1.2
319.87900	1.1
356.14191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
55.05489	8.4
57.03430	2.6
57.07060	7.6
59.04966	2.1
61.02914	3.9
61.50355	1.5
66.20677	1.6
67.05491	8.2
69.07050	3.8
69.89925	1.2
71.01338	8.4
78.73684	1.3
79.05467	6.8
81.07040	13.2
83.01349	1.7
83.04953	6.6
85.02886	7.4
85.06513	6.8
87.18488	1.6
91.05442	10.0
92.08720	3.1
93.07037	15.0
95.01324	6.0
95.04938	1.7
95.08600	19.1
95.88851	1.5
97.02904	1.6
105.03390	1.4
105.07014	13.0
107.08589	12.4
109.06499	10.4
111.00804	6.0
111.04409	6.7
119.05003	1.6
119.08559	15.6
121.06479	9.3
121.10107	6.6
123.08035	10.3
123.11700	7.8
125.02368	3.5
125.05964	10.8
127.03851	3.3
129.06990	3.0
131.08525	7.2
133.06447	7.1
133.10065	3.3
135.04381	3.3
135.08032	17.8
135.11688	7.0
136.04707	1.8
137.05959	19.7
137.13261	6.1
139.11148	1.6
143.08636	1.8
145.06541	3.0
145.10083	6.8
147.08026	15.7
147.11685	9.5
149.01219	2.4
149.05966	6.2
149.09663	3.0
151.07516	6.6
153.05475	2.1
157.10080	6.8
159.08017	7.7
159.11682	8.5
160.08815	7.4
161.05940	8.9
161.09608	8.1
163.03923	2.0
163.07530	3.8
163.11131	8.1
165.05438	2.8
165.12723	78.5
167.10666	3.0
169.12280	2.0
171.11713	2.7
173.09601	6.2
174.06660	2.4
175.07524	14.5
175.11168	45.4
177.05466	7.2
177.12737	7.1
179.06973	6.1
181.12219	32.7
185.11763	3.0
187.07465	19.4
187.11151	7.2
188.08315	6.4
189.05463	3.9
189.09039	3.3
189.12656	3.7
191.06966	6.6
193.12164	6.4
199.11237	2.0
201.05476	1.7
201.09070	2.8
203.06999	27.2
203.10596	18.3
205.12218	13.5
207.10083	3.2
207.13770	2.1
211.11169	3.0
215.06989	13.4
215.10605	2.8
217.08617	9.5
217.12216	3.9
219.06699	1.8
221.11732	7.8
227.06993	18.1
227.10713	3.4
229.12177	17.6
231.06464	12.8
231.10236	2.4
233.11661	7.3
235.13399	2.9
239.12775	23.6
245.11633	33.4
247.13228	9.7
249.11281	11.2
255.10109	8.9
257.11816	1.8
263.12622	1.6
273.11160	68.9
275.12723	10.6
282.93222	2.2
291.12231	100.0
293.13812	17.6
311.14847	13.3
321.13156	8.8
329.15887	42.9
339.14365	9.5
357.15302	6.8
374.18146	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01857	1.6
57.03414	2.4
59.05013	0.4
61.02914	2.5
67.05487	0.8
69.03118	0.4
69.03419	7.1
70.06586	0.8
71.04978	0.6
72.08149	0.8
73.02921	0.6
74.36161	0.5
79.05470	0.7
81.03402	1.9
82.06567	0.4
84.04500	0.6
84.08132	1.8
85.02892	20.0
86.09695	0.5
87.04459	0.6
89.03886	5.3
91.03981	0.5
91.05455	2.1
95.04940	0.5
97.02889	6.3
98.97567	0.6
99.04431	0.8
103.05406	0.7
107.04949	0.5
109.02874	1.9
111.04430	0.5
116.77560	0.4
116.98569	0.6
117.03368	19.1
119.04929	1.6
121.06471	0.9
122.06025	1.0
123.04394	1.9
124.07513	0.7
127.03909	3.8
129.01808	0.5
129.10181	0.5
131.04924	0.5
134.03596	1.4
135.04356	4.0
136.07513	0.7
137.05936	2.0
138.09125	0.7
145.02835	63.1
145.04852	2.2
147.04407	3.0
149.05954	11.6
153.05431	0.7
154.08664	0.5
162.03082	0.7
163.03879	5.6
165.05482	0.5
177.05440	100.0
180.08574	0.7
195.06506	31.5
212.09135	0.5
304.94565	0.4
309.01654	0.4
315.34988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11796	0.4
53.03941	0.5
54.81558	0.4
55.01859	0.9
55.84135	0.4
57.03425	1.8
57.26157	0.3
61.02904	2.4
64.33090	0.5
69.03419	6.0
70.06577	0.5
71.04952	0.6
72.08107	0.8
73.02893	0.7
81.03400	2.3
85.02889	22.2
89.03900	4.6
91.03922	0.7
91.05452	2.4
93.06995	0.8
95.08627	0.4
97.02876	6.5
99.08118	1.6
103.05415	0.4
105.06992	0.5
109.02855	2.2
110.09665	0.5
117.03365	19.1
119.04940	1.0
124.72564	0.4
127.03871	3.0
131.04829	0.5
133.10092	2.0
134.03583	2.1
134.10460	0.6
135.04425	3.2
137.05946	1.8
145.02832	61.1
145.04858	2.6
147.04391	2.2
149.05975	8.9
153.05376	0.7
162.03047	0.5
163.03906	4.5
163.07596	0.4
177.05434	100.0
178.05756	0.4
180.08630	0.7
193.15851	0.5
195.06502	29.3
213.13953	0.5
256.74927	0.5
285.28381	0.5
294.76337	0.5
300.74731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2735
Annotation	Nabilone
Peak:m/z	Relative Intensity
53.03926	3.3
53.42492	2.0
54.81495	3.0
55.01860	6.1
55.05304	2.2
55.05510	34.3
57.07071	3.7
64.78138	2.7
65.03943	2.6
67.05499	44.2
69.07054	21.7
71.04972	4.8
78.23106	2.2
79.05475	35.8
81.07045	54.9
83.04980	3.7
83.08607	10.1
88.07592	2.6
91.05466	39.1
93.07021	35.8
95.04965	5.0
95.08588	33.8
97.10194	3.3
105.07024	51.8
107.04944	11.3
107.08580	21.9
109.06507	10.6
109.10143	12.2
117.07003	25.4
119.04886	3.0
119.08546	31.2
121.06496	13.1
121.10092	6.0
128.06201	5.9
129.06996	21.2
131.08571	27.2
133.06505	20.9
133.10106	20.5
135.08022	15.0
135.11635	2.7
141.06970	3.5
142.07793	5.5
143.08528	22.5
145.06493	13.7
145.10159	20.2
147.08061	16.3
147.11609	8.8
149.09590	11.9
155.08560	12.2
157.10139	23.6
159.08037	12.9
159.11674	15.0
161.09593	15.8
161.13254	11.7
169.10156	9.1
171.11684	12.1
173.09608	10.2
173.13173	4.5
175.11137	20.8
181.10478	2.8
183.11617	8.9
185.13242	4.4
187.11137	10.5
187.14812	2.6
189.12692	4.1
201.12756	3.2
215.14188	2.9
217.15892	4.5
229.15787	3.1
271.08893	2.5
287.20044	4.7
337.25339	17.4
355.26230	100.0
373.27182	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	373.2216
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
50.83122	0.8
54.81775	0.9
55.01860	3.8
55.05500	10.8
56.96525	0.9
57.03429	2.6
60.37865	1.0
61.02910	2.0
67.05492	15.2
69.03407	7.3
69.07047	6.5
70.06573	1.6
71.04974	1.4
72.08137	5.2
73.10458	0.9
76.02204	1.2
78.65048	1.0
79.05481	8.3
81.03403	3.6
81.07033	14.5
83.04965	6.4
85.02895	13.4
85.06506	5.8
88.69756	0.8
91.05450	14.6
93.07023	21.9
94.06527	2.2
95.04947	41.4
95.08578	23.9
97.02872	5.7
99.04419	1.2
99.08068	79.5
105.07012	19.3
107.04923	1.8
107.08576	23.2
108.08113	1.4
109.06489	2.5
109.10133	28.0
111.08070	1.9
115.17901	1.1
117.07001	2.3
119.04908	2.4
119.08553	29.0
120.08115	1.2
121.06546	1.6
121.10115	9.8
122.06003	4.9
123.08072	1.1
123.11680	5.2
127.03923	1.2
127.07498	1.8
131.04829	1.2
131.08507	4.0
133.06459	1.5
133.10103	100.0
135.08002	4.9
135.11658	16.9
136.07547	7.2
137.05977	1.5
137.09581	31.8
138.09082	1.4
145.06474	1.1
145.10042	1.2
147.04402	2.1
147.08009	1.5
147.11681	2.3
148.11137	1.2
149.05923	1.0
149.13248	9.0
154.08583	1.1
155.10648	6.0
161.09660	1.8
164.07037	4.8
165.16377	0.9
175.14784	18.7
176.10687	3.9
193.15852	33.9
211.16879	34.2
212.12799	10.4
217.15723	1.1
281.13879	1.3
288.89322	1.4
317.15985	1.5
373.18213	18.3
373.22226	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01875	1.1
55.05502	22.5
55.44219	0.8
56.08701	0.8
57.03428	1.6
57.07063	1.5
59.04985	1.8
61.02923	1.3
65.03921	1.0
67.05493	38.4
67.05852	1.4
69.03425	9.0
69.07066	8.7
71.04974	5.0
77.72552	0.8
79.05466	7.2
81.03391	1.9
81.07038	35.1
83.04964	39.4
85.02892	16.0
85.11741	0.9
91.05447	6.1
93.07021	16.0
95.04964	11.5
95.08587	77.6
97.02876	3.4
97.06467	1.3
99.04436	4.0
99.08067	3.3
105.07033	7.3
105.07626	1.3
107.08580	12.9
109.02848	1.1
109.06493	3.8
109.10140	30.9
111.08044	3.6
111.11666	1.2
117.03358	1.0
119.08553	17.2
121.10121	8.6
122.06008	1.6
123.08060	1.9
123.11674	3.7
125.09614	1.0
126.16114	0.9
127.03895	1.7
131.08488	0.8
133.10110	14.9
135.11659	7.4
136.12711	1.0
137.09596	100.0
138.09155	1.1
139.11143	1.2
145.02866	2.1
147.11661	1.4
154.08629	1.2
155.10646	1.8
164.07033	1.1
175.14755	16.2
177.05424	2.0
193.14072	1.3
193.15843	34.0
195.06494	1.2
211.16882	3.7
235.35922	0.8
345.38007	1.0
353.51993	1.0
373.12521	12.0
373.18201	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	373.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93513	0.9
57.03445	1.0
58.59544	0.9
60.04512	1.1
65.03903	0.8
67.05496	1.7
67.62684	0.7
69.03430	6.0
70.06588	3.5
71.04984	1.5
72.08141	1.7
81.03421	1.8
84.08145	3.9
85.02876	11.6
86.09683	1.0
97.02877	4.3
99.04426	1.0
106.06551	3.5
108.08105	80.0
120.08070	1.3
122.06027	10.4
123.06802	1.6
124.07577	15.1
131.36096	0.9
134.05981	23.4
136.07568	8.4
137.05977	0.9
138.05420	1.2
140.07050	10.7
147.04538	1.0
147.90414	0.9
151.08640	34.8
152.07048	100.0
154.08620	1.1
169.09801	1.1
193.08253	1.3
193.09937	7.7
210.05040	0.8
211.10759	31.1
237.03050	1.0
248.96407	0.9
253.19495	0.9
274.43018	0.8
314.12219	8.2
373.15979	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
54.81612	0.4
55.01861	0.4
67.05496	0.8
69.03394	0.7
69.07055	0.8
70.06567	0.5
71.04939	0.3
71.39772	0.3
72.08147	0.4
72.35934	0.3
79.05457	0.6
81.07033	0.5
84.04491	0.5
84.53473	0.3
85.02869	0.7
85.40842	0.4
86.09695	5.7
91.05453	0.6
93.07013	1.0
95.04949	0.5
95.08590	0.4
105.07008	2.4
107.08560	0.9
109.10181	0.5
119.08565	1.6
131.08502	0.5
133.10115	1.6
135.04391	1.9
137.05959	2.4
147.11687	3.7
175.07555	0.5
175.11162	0.4
176.07814	0.4
193.12134	0.8
193.15958	0.6
193.77615	0.4
211.13034	0.6
242.03407	0.4
242.14973	0.5
272.86606	0.4
355.12756	0.6
355.17230	25.5
373.18262	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	373.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40869	0.6
53.03930	0.7
53.67131	0.7
54.47568	0.5
54.90836	0.6
55.01870	1.6
57.81799	0.5
61.47234	0.6
67.05487	0.9
69.39633	0.8
79.05469	10.7
81.07027	1.1
83.05012	0.7
87.04460	5.6
91.05473	4.7
91.05953	0.7
93.06987	0.8
95.04942	3.8
95.08570	1.1
101.65085	0.6
103.05452	24.0
105.03348	0.9
105.07014	39.0
106.04101	0.7
106.17031	0.6
107.04939	20.1
107.08562	0.8
115.05456	1.1
117.07000	1.1
119.04923	1.1
120.05705	4.2
123.04417	2.7
124.05167	1.0
131.04932	2.8
133.06483	1.5
135.08034	71.9
136.08406	0.6
137.05997	1.3
139.02930	0.7
139.03900	3.9
139.07542	2.6
140.06387	0.7
145.06456	0.8
147.04443	4.8
148.05211	1.6
149.06018	1.0
151.03853	0.8
151.07520	1.2
152.04684	4.3
154.06221	10.5
157.06311	0.8
158.07333	0.8
159.08026	0.9
161.05972	1.0
163.07507	19.4
164.08331	3.5
165.05460	3.2
167.07004	66.6
176.08348	1.2
177.09085	0.7
180.07785	11.6
190.09866	5.4
195.10132	100.0
201.53383	0.7
204.11458	1.5
205.12163	1.4
219.13768	0.7
250.15071	0.7
373.19940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01862	1.2
55.05499	2.4
56.96554	0.5
63.20898	0.4
65.03917	0.8
67.05486	2.9
67.43193	0.4
69.03399	1.1
69.07043	1.9
71.04974	0.9
72.08152	0.8
79.05479	2.9
79.50841	0.5
81.03413	1.1
81.07059	4.5
83.04961	2.0
83.08599	1.2
84.04474	2.3
84.08126	0.5
85.02886	2.7
85.73506	0.5
86.69066	0.5
91.05465	7.2
93.07024	4.3
94.04175	3.6
95.04952	2.0
95.08585	3.6
97.02836	0.7
97.06506	1.8
98.85342	0.6
99.04430	0.9
99.08138	0.5
103.05439	2.6
105.07025	5.0
107.04954	2.5
107.08572	3.0
109.06520	2.5
109.10112	3.8
111.04449	2.3
111.08060	1.1
112.11234	0.5
114.51849	0.5
115.05410	3.7
117.06982	2.3
119.04960	1.1
119.08561	2.4
121.06470	2.5
121.10104	1.1
122.03632	13.3
130.04987	1.0
131.04883	1.0
133.06459	2.8
133.10130	2.6
135.04417	0.9
135.08070	0.6
135.11667	3.1
137.05960	100.0
143.04918	1.2
145.06418	4.3
146.03572	0.7
147.04382	2.6
147.07887	0.6
147.11650	0.8
149.05959	2.1
151.03891	2.1
153.12720	0.6
159.04407	1.1
160.05168	2.7
161.05933	3.1
163.11110	0.6
165.06892	0.7
173.05894	3.9
175.07509	2.2
175.14830	2.4
177.05548	1.0
177.06984	2.7
178.07677	0.6
179.08513	2.0
181.12184	0.7
186.03084	2.4
186.78928	0.5
188.04781	1.2
189.06900	0.8
191.07011	0.8
191.08649	0.5
191.10713	1.0
193.06383	0.5
193.15866	2.4
194.07281	3.3
195.08002	0.8
201.05417	6.9
203.06999	2.7
204.05693	0.6
205.06439	10.1
206.07195	0.6
207.06494	6.1
207.08110	0.8
211.16917	0.9
213.05486	0.6
217.06509	0.8
219.06496	2.4
219.08333	0.8
221.05965	2.6
222.06650	6.4
223.07611	1.0
227.12892	0.7
231.06488	0.7
233.05968	7.3
234.06700	4.5
235.07532	1.1
236.04451	0.6
236.08354	0.7
237.09126	5.7
239.07094	0.9
247.07466	0.7
249.05365	1.2
249.09216	0.9
250.06178	8.8
251.06990	3.2
253.08487	0.7
261.05447	2.1
262.06223	2.2
263.06955	1.1
264.07800	3.1
265.08527	12.6
267.06494	1.9
268.07358	1.2
277.05060	0.7
277.08463	3.0
278.05762	2.9
279.06525	0.9
279.09818	0.7
282.08725	0.9
283.09546	4.5
292.07156	4.3
293.07965	9.4
297.11115	2.3
305.07962	1.9
307.09604	9.6
309.10876	1.7
310.08536	2.0
310.16565	0.6
311.08911	1.0
323.08701	0.7
325.10678	19.7
337.10583	2.3
341.15674	2.2
343.11670	6.7
355.11746	2.1
373.18292	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	373.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.2
54.67379	0.2
54.80948	0.2
54.81588	0.2
55.05484	0.2
56.79600	0.2
56.96562	0.3
57.03421	0.3
64.23657	0.2
67.05494	0.3
69.03423	2.9
70.06578	0.9
71.01344	0.2
79.05471	0.4
81.03374	0.5
81.07054	0.2
81.17689	0.2
83.04961	1.9
85.02885	4.0
86.09703	0.5
87.00807	0.3
88.79099	0.2
91.05453	1.0
94.04166	1.3
95.04945	0.4
97.02860	0.4
98.97577	0.2
103.05451	1.9
107.04924	1.1
111.04445	3.3
116.98560	0.4
119.04939	1.2
119.08658	0.2
121.02857	2.6
121.06504	0.4
122.03635	4.3
122.05965	0.2
129.05450	2.3
131.04918	2.6
135.04388	0.2
137.05962	100.0
138.06329	0.4
139.03879	0.3
139.40437	0.2
147.06532	1.4
151.07520	0.3
163.07516	1.5
165.05438	0.3
170.63522	0.3
175.05994	0.5
181.08591	3.0
193.04982	0.3
301.05481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.01868	20.0
55.05504	16.3
57.03428	19.9
57.27136	3.3
63.36722	3.0
67.05499	43.9
69.07055	45.7
79.05477	60.3
81.03407	16.1
81.07044	86.2
83.04988	3.1
85.02889	4.4
87.00820	11.8
87.15813	2.9
91.05463	38.6
93.07030	44.2
95.04961	14.5
95.08591	100.0
97.02877	4.2
97.06530	3.8
105.07023	32.3
107.04939	18.2
107.08589	7.1
117.06995	4.5
119.08575	25.2
121.06493	31.0
121.10110	5.5
123.08053	59.8
129.06947	6.9
131.08568	13.3
133.06506	4.6
133.10114	6.3
147.08095	7.1
149.05975	13.7
149.09590	5.1
151.07533	16.9
157.10059	4.5
161.09598	4.7
165.09070	3.5
167.07004	5.4
173.78110	3.3
199.14932	3.9
225.11360	5.2
227.14270	4.0
243.12149	6.3
337.20023	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01856	1.4
55.05500	0.3
57.03416	1.1
57.44442	0.2
59.98353	0.2
61.02908	1.7
62.68658	0.2
62.97627	0.2
63.48646	0.2
63.85210	0.2
65.03902	0.2
66.28635	0.2
67.05508	0.3
69.03070	0.3
69.03417	5.7
69.07078	0.2
70.06564	1.0
71.04992	0.8
72.08130	0.5
73.02910	1.9
80.93450	0.2
81.03400	5.6
81.07042	0.4
82.06516	0.2
83.04920	0.2
84.04469	0.9
84.37147	0.2
85.02888	6.8
87.04436	0.3
89.02380	1.2
91.05451	5.5
93.07021	0.9
95.04921	0.9
95.08578	0.4
95.50599	0.2
97.02865	2.5
99.04435	1.8
101.02351	0.8
104.48364	0.2
105.07011	1.8
106.07357	0.2
107.08557	1.1
108.08081	0.3
109.02854	4.6
110.06063	0.2
116.98658	0.2
117.07095	0.2
119.04919	21.8
119.08541	1.8
120.08926	0.2
120.97588	0.2
121.06478	0.3
121.10123	0.3
122.05974	0.4
123.04396	1.3
127.03869	4.4
130.05016	0.2
131.04919	0.2
131.08516	2.0
132.61499	0.2
133.04945	0.3
133.10083	1.1
133.73544	0.3
134.10464	0.4
135.08002	0.3
136.07489	0.3
137.05927	0.4
138.09126	0.5
145.04950	0.3
145.10164	0.5
147.04390	100.0
147.11667	0.9
148.04718	0.3
148.11937	0.2
149.09518	0.2
157.10063	0.2
160.41512	0.2
161.13199	0.3
165.05434	12.4
171.04358	0.3
173.04449	1.0
173.13289	0.5
174.13573	0.4
175.07503	0.3
175.14774	0.4
189.05452	1.0
191.14290	0.5
210.11267	0.2
221.15251	0.4
222.15668	0.4
231.06589	0.4
255.06369	0.4
337.09097	4.8
372.17499	0.3
372.23541	0.3
376.39575	0.2
380.19711	0.4
384.95581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03756	0.2
56.96285	0.5
56.96559	11.5
69.07033	0.2
71.95240	0.7
72.96037	0.4
74.87228	0.3
74.88091	0.3
74.97592	0.3
81.07039	0.4
91.05521	0.3
97.96754	0.3
98.97564	1.2
107.08591	0.3
110.97557	1.5
116.98606	1.3
123.01209	0.3
128.98584	4.5
131.00142	0.6
137.02654	0.3
139.00618	0.3
143.00133	0.4
146.99652	3.3
149.01224	1.3
152.94719	0.3
153.02180	0.5
155.03777	1.1
157.01779	0.5
161.01198	1.1
165.00691	0.5
167.03737	0.3
169.01746	0.4
171.03214	2.8
177.02211	0.3
181.55104	0.3
183.03259	0.5
185.04765	3.5
187.02756	0.3
189.04320	2.2
191.05875	0.4
193.05434	0.5
197.04813	0.6
199.06367	4.5
201.04343	0.6
203.04076	0.5
203.05894	6.4
205.07426	1.2
209.06845	0.4
211.06305	0.5
213.07994	0.7
217.04192	0.6
217.07451	10.0
219.03258	0.3
219.06879	0.5
221.06898	1.2
223.02696	2.4
223.06384	0.6
223.08528	1.3
224.03493	0.5
225.04373	0.6
225.07816	0.6
226.05058	1.5
227.09427	0.4
228.03003	0.4
229.07471	1.1
231.06964	1.0
231.09019	0.5
237.04314	4.2
237.07925	0.5
238.05028	0.6
239.09482	0.5
241.03920	0.4
241.07436	0.6
249.07938	1.2
250.41042	0.3
251.05882	0.6
253.07567	0.3
253.11122	1.3
255.05405	1.8
255.09047	0.5
257.10550	0.5
262.08884	1.1
267.08911	2.5
267.77258	0.3
270.07822	0.5
271.12143	0.7
277.11160	0.5
279.08923	1.2
279.12061	0.3
280.09769	3.5
285.10043	1.8
293.10590	0.4
297.10013	1.0
298.10767	2.2
299.11475	0.5
305.14163	0.3
307.15598	2.6
325.16806	1.3
331.15579	13.3
331.18820	1.7
349.16797	100.0
350.17197	1.2
367.17899	5.6
372.18323	3.1
389.42114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14521	3.5
55.01870	5.5
61.02908	6.0
62.96057	3.1
76.56522	4.0
85.02884	7.7
97.02854	5.3
103.02226	3.5
103.05447	4.4
108.84574	3.5
119.04910	5.3
121.06455	5.6
131.04958	5.1
136.06169	9.1
137.05946	24.4
146.03624	7.4
147.04401	5.1
155.39101	4.9
157.02835	18.5
157.06424	7.2
159.04364	5.2
161.05933	54.3
163.07568	5.3
174.03101	7.5
175.07489	5.6
177.05434	14.5
183.04477	3.9
185.05992	27.0
187.03928	15.0
187.07585	5.4
188.04648	8.8
189.05450	49.1
189.09068	5.4
191.06975	4.1
199.07567	35.3
201.05426	4.8
205.04922	8.0
215.03226	6.3
217.05060	4.2
217.08597	34.5
232.03659	8.9
233.04390	5.4
238.08870	3.9
245.08107	35.6
247.05949	80.3
289.07019	100.0
307.08118	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03924	6.2
55.01859	2.0
57.03419	9.9
59.04964	1.2
61.02906	16.6
65.23785	1.2
67.05486	5.7
69.03069	2.3
69.03416	45.3
69.07050	12.7
71.01250	1.3
71.04973	9.1
72.47282	1.3
73.02884	6.7
79.05461	8.5
80.46754	1.4
81.03396	20.0
81.07024	7.6
83.08581	2.4
85.02886	100.0
87.04439	3.3
91.03919	6.5
91.05464	2.8
93.07000	9.2
95.04942	22.2
95.08574	6.3
96.55479	1.5
97.02859	36.9
97.06528	2.6
99.04427	6.4
105.07006	3.7
107.08559	10.2
109.02849	11.5
109.06495	8.3
109.10101	2.6
119.08530	7.9
121.06501	10.3
121.10117	6.7
122.07234	7.9
123.08024	26.3
127.03890	20.2
131.08540	1.9
133.10141	2.3
135.07069	2.4
135.08026	40.8
135.11612	2.4
145.04958	19.7
145.10143	2.6
147.04353	2.2
147.11668	7.1
148.08672	1.6
149.09607	2.2
165.12717	44.4
174.08302	1.5
175.14774	1.9
176.11949	3.5
191.14270	87.2
209.15334	7.8
327.55417	1.7
371.20642	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	4.9
55.05499	8.9
57.03433	3.9
57.07067	50.1
67.05494	58.2
69.07045	9.3
79.05479	32.4
81.07047	45.5
83.04992	6.5
83.08611	15.3
84.36990	3.8
85.10168	100.0
91.05470	38.1
93.07019	31.5
95.08572	38.8
95.70723	3.8
97.06528	4.2
97.10126	9.7
99.78024	4.1
105.06991	26.6
107.08582	22.9
109.10136	7.8
111.08064	6.5
113.09644	71.4
119.04945	4.6
119.08565	4.7
121.10107	17.2
128.80659	4.5
133.10121	59.8
135.11621	9.1
141.06468	3.8
144.16927	4.2
149.09637	7.1
149.13246	25.6
151.11154	14.2
167.14291	10.0
181.15820	5.2
234.12131	4.3
243.20811	5.2
261.22003	17.9
279.23126	58.0
288.38528	4.3
309.14465	4.5
353.26797	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01865	2.8
55.05507	10.2
57.03432	8.2
57.07077	8.8
59.04990	1.6
61.02913	6.3
67.05487	8.3
69.03419	15.7
69.07056	14.8
71.04982	6.2
71.28384	1.1
73.02895	5.0
79.05482	7.3
81.03388	4.9
81.07040	21.7
83.04971	2.5
83.08592	2.8
85.02889	35.4
85.06506	1.3
87.04461	1.8
89.70324	1.1
91.05459	21.0
93.07018	25.3
95.04948	100.0
95.08597	19.7
96.61069	1.0
97.02873	13.1
99.04436	16.6
103.03794	1.1
105.07015	58.5
107.08574	41.7
109.02878	1.4
109.06458	4.1
109.10146	6.3
111.04441	1.4
111.08088	2.3
115.05427	2.7
116.06128	1.3
117.07019	18.4
119.08560	74.3
121.06519	2.0
121.10126	21.2
123.08080	1.9
127.03948	2.6
128.06178	1.2
129.06989	7.6
131.08546	84.5
133.10101	38.8
135.08023	14.0
135.11691	9.0
137.09605	4.5
142.07663	1.4
143.08542	12.6
144.09337	1.8
145.10123	19.9
147.08057	8.9
147.11659	11.2
149.09599	1.7
149.13219	9.4
151.11188	2.1
153.09081	20.5
155.08559	1.7
156.09306	2.1
157.10083	4.7
158.10936	9.8
159.11670	6.5
161.13235	41.2
163.11147	4.5
163.14789	5.4
170.10852	1.6
171.11693	1.9
173.13206	43.5
175.14772	38.2
175.16156	2.0
179.10631	2.1
179.14270	9.3
185.13234	9.1
191.14304	26.6
192.27769	1.2
193.15875	7.2
203.14240	10.3
209.15327	32.8
221.15318	42.1
319.12244	1.2
335.18393	4.8
353.19476	6.7
371.16739	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
54.81589	0.2
55.01858	0.4
55.05490	0.3
57.03410	0.5
61.02912	1.7
65.03910	0.3
67.05491	1.5
69.03409	3.6
69.07045	0.4
71.04980	4.7
73.02878	0.2
81.03396	2.0
81.07040	1.0
83.04962	0.5
85.02888	7.9
85.06549	0.3
91.05447	0.4
92.09409	0.4
93.07011	1.7
95.04942	100.0
95.08603	0.4
96.05283	0.3
97.02857	2.3
97.06526	0.4
99.04430	15.4
99.48094	0.2
105.07011	1.1
107.08556	1.2
109.02854	1.0
109.06495	0.6
109.10158	0.9
111.08060	1.3
115.07582	0.3
115.60133	0.3
119.08601	0.4
121.10132	1.1
127.03911	0.5
131.08563	1.2
133.10098	4.5
135.08038	0.5
137.05971	0.3
137.09621	0.4
145.02911	0.4
145.10052	0.3
149.05954	0.3
149.09578	0.3
149.13194	0.4
151.11186	1.0
153.09079	18.4
158.10913	0.3
163.14809	0.3
173.13243	3.2
177.05417	0.5
191.14285	2.9
209.15329	14.9
305.96933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43865	0.2
52.83452	0.3
53.03937	0.4
53.89699	0.3
55.05488	2.1
56.96542	0.3
57.07047	0.5
61.02889	0.5
63.92997	0.3
67.05492	2.3
69.03418	6.2
69.07068	2.6
74.43211	0.3
75.38392	0.3
77.03863	0.3
79.05471	3.9
81.03435	0.4
81.06599	0.4
81.07043	7.0
83.04969	0.4
83.08578	0.6
85.02874	3.2
86.14500	0.3
87.69179	0.4
91.05452	5.9
93.07033	3.9
95.04958	0.4
95.08581	3.5
97.02892	0.3
97.06499	0.4
105.07015	7.5
107.04948	0.8
107.07869	0.7
107.08582	20.7
109.06512	7.3
109.10147	6.7
115.05431	1.8
117.07008	3.3
119.04945	0.5
119.08534	2.9
121.06492	0.8
121.10123	14.2
122.07277	5.5
123.08028	1.7
127.03922	0.3
131.08527	3.4
133.10109	100.0
134.10448	0.4
135.08037	14.4
135.11693	0.8
135.64870	0.3
137.09596	67.6
145.05031	0.4
145.10120	1.7
147.04428	0.4
147.11638	2.3
149.09637	0.5
149.13243	12.6
151.11194	0.6
158.10875	1.2
163.14813	1.6
173.13225	4.7
177.32799	0.3
177.34544	0.4
191.14276	23.1
194.31682	0.4
206.90300	0.4
209.15338	4.9
323.63544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88070	0.2
53.03932	0.5
55.01856	0.6
55.05499	1.3
57.03423	1.7
59.05011	0.3
60.55939	0.3
61.02908	2.2
65.03924	0.4
67.05499	2.6
67.05800	0.3
69.03412	5.2
69.07037	1.1
70.06590	0.4
71.04976	5.0
73.02881	1.2
73.54723	0.3
79.05474	1.2
81.03403	2.6
81.07044	1.8
83.04969	1.8
83.08601	0.6
85.02892	12.2
85.06517	0.5
91.03936	0.3
91.05456	1.9
93.07024	3.2
95.04945	100.0
95.08597	1.7
96.05241	0.3
97.02861	4.2
97.06516	0.6
98.97577	0.3
99.04430	16.2
99.08068	0.5
105.07029	2.1
107.07965	0.3
107.08552	2.3
109.02844	1.3
109.06517	1.2
109.10146	2.3
111.08064	1.2
119.04958	0.5
119.08568	1.2
120.05280	0.2
121.06449	0.6
121.10126	0.6
123.08065	1.6
127.03896	1.3
131.08553	1.1
133.10114	4.3
135.08037	0.7
135.11775	0.4
136.07541	0.5
137.05992	2.5
137.09612	1.3
138.06415	0.3
141.09047	0.4
145.04971	0.4
147.04384	2.1
147.11717	0.4
148.04732	0.4
149.09492	0.3
149.13258	0.4
151.11162	1.3
153.09077	17.9
163.07539	0.6
173.13245	2.9
191.10623	0.5
191.14267	2.2
193.15771	0.5
203.44983	0.3
209.15332	17.2
237.19716	0.3
261.22549	0.3
274.67993	0.3
279.11401	0.6
296.66321	0.3
371.16656	1.8
371.20865	0.4
381.86456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17055	1.0
53.03937	2.5
55.01868	2.8
55.05500	8.1
57.03425	5.5
57.07063	7.0
59.04982	1.7
59.85067	1.2
60.18026	1.0
60.82156	1.2
61.02915	6.5
64.96187	1.2
65.03927	1.9
67.03708	1.2
67.05487	10.4
67.24284	1.0
68.76792	1.1
69.03407	16.2
69.07054	18.8
70.06581	2.4
71.04977	1.5
73.02901	7.5
79.05463	13.0
80.09332	1.1
81.03407	7.2
81.07041	22.4
83.05000	4.2
83.08617	5.2
85.02893	29.3
91.05463	29.5
93.05788	1.4
93.07018	29.4
95.04936	6.6
95.08592	25.7
97.02853	9.9
97.06528	2.2
99.04435	1.9
103.05443	1.5
105.07017	71.8
107.08584	50.0
109.02869	1.6
109.06516	2.8
109.10117	9.1
111.08067	1.2
115.03933	1.6
115.05434	2.5
116.06171	1.7
117.06994	21.6
119.04916	6.6
119.08566	91.8
121.06490	7.2
121.10120	21.9
122.06005	1.8
123.08054	2.0
127.03900	3.0
128.06268	2.0
129.06987	8.7
131.08549	100.0
133.06535	2.0
133.10103	46.0
135.08034	18.9
135.11693	7.2
136.07602	1.9
137.05931	6.7
137.09621	2.7
143.08553	10.9
144.09392	5.2
145.04939	1.7
145.10114	27.7
147.04391	19.2
147.08040	10.1
147.11664	19.8
149.09605	2.5
149.13226	12.3
157.10098	7.3
158.10909	10.8
159.11717	7.8
161.09642	2.0
161.13232	50.2
163.11176	2.5
163.14816	8.5
171.11673	2.9
173.13234	59.3
175.14786	49.4
177.12817	1.4
179.10736	1.4
179.14310	8.5
185.13245	14.7
188.31499	1.5
189.12737	2.3
191.14275	32.7
193.15886	6.4
203.14256	16.5
209.15341	17.9
221.15352	50.9
229.16267	1.3
273.16745	1.3
274.02094	1.3
278.74103	1.4
287.16367	2.2
335.18268	2.9
353.19519	8.6
371.16666	8.3
371.20810	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82588	0.2
53.36271	0.2
57.05825	0.2
61.02912	0.5
69.07059	8.3
85.02884	0.4
86.04081	0.2
86.09695	100.0
101.00543	0.2
112.09848	0.2
132.10188	33.4
136.06154	0.3
366.53195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01859	0.3
55.05501	3.0
56.28506	0.3
57.03423	0.6
57.06648	0.3
57.07058	1.3
57.34222	0.3
65.03917	0.3
67.05502	3.0
69.03135	0.3
69.03412	5.8
69.07056	2.7
71.04983	0.4
73.17525	0.3
79.05473	4.4
80.00834	0.3
81.03416	1.3
81.06612	0.4
81.07044	9.3
83.04946	1.3
83.08576	0.6
85.02892	3.6
91.05461	7.4
93.07010	3.1
95.04939	2.2
95.08581	3.3
97.02866	0.7
97.06508	0.3
103.05424	0.3
103.63826	0.3
105.07018	7.5
107.04914	1.2
107.08579	20.1
109.06512	7.4
109.10148	7.6
109.40025	0.3
115.05427	2.4
117.07000	2.6
119.08579	4.3
121.06468	0.3
121.10126	12.0
122.05984	0.4
122.07280	6.8
123.08070	1.5
125.75311	0.3
127.04014	0.3
131.08525	3.2
133.10115	100.0
135.08025	12.6
135.11678	1.8
137.09602	82.1
138.09943	0.4
139.09496	0.4
143.08559	0.5
145.10120	1.5
147.04434	0.4
147.11687	2.6
149.09677	1.1
149.13248	10.7
151.11208	0.7
158.10878	1.4
161.13239	0.7
163.14870	1.7
173.13232	5.6
191.14281	26.3
209.11983	0.4
209.15396	3.8
218.20653	0.4
367.27017	0.4
371.11182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.95115	0.2
56.96550	0.2
57.03410	0.2
60.04512	0.2
62.06056	0.2
62.56303	0.2
63.02599	0.2
65.26322	0.2
68.45550	0.1
69.03397	0.7
69.40246	0.2
70.06582	0.2
71.04972	0.4
72.00269	0.2
73.02895	0.3
73.06520	0.2
81.03379	0.3
81.07024	0.3
83.04956	1.0
85.02894	1.5
85.06526	0.3
87.04454	0.2
92.08596	0.2
95.04929	0.2
96.47001	0.2
97.02872	0.2
97.06496	0.2
99.04417	0.3
108.04463	0.2
109.10109	0.2
111.04450	0.2
111.08044	0.2
113.06007	0.2
119.04902	0.2
126.06606	0.4
129.05458	4.1
134.05954	0.2
137.05923	0.3
145.05005	0.2
145.12157	0.2
147.06509	2.4
148.05009	1.3
150.01643	0.2
150.05447	0.2
155.07014	0.3
155.10585	0.2
160.07274	0.2
160.98657	0.2
163.08614	0.4
167.12743	0.2
173.08055	1.1
176.04526	100.0
191.09103	1.9
208.07149	42.0
298.66406	0.2
326.96997	0.2
370.12381	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	370.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83803	0.4
53.00294	0.4
53.03939	0.4
54.33213	0.4
57.03419	0.9
61.02906	2.2
62.19299	0.4
62.24924	0.4
62.84403	0.6
66.96331	0.5
67.05476	0.7
69.03413	4.6
71.04978	80.2
73.02898	0.7
73.15572	0.4
81.03397	0.8
85.02900	12.1
85.06532	8.0
88.12046	0.4
91.03928	0.7
92.08556	1.0
92.63655	0.6
93.13486	0.5
95.04938	2.4
95.08617	0.5
97.02867	3.3
102.08939	0.5
103.34489	0.5
109.02943	0.6
113.05975	8.1
119.04882	0.6
127.03881	0.9
127.07533	22.3
127.08472	0.8
131.07024	28.9
137.05943	2.1
137.13275	0.7
145.08585	100.0
147.04465	0.7
173.08070	2.8
180.08704	2.6
189.09074	0.9
191.09117	22.5
191.10876	0.7
197.98952	0.5
208.11806	0.9
301.46915	0.5
349.39252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	15.1
53.03933	5.0
55.01859	10.9
55.05511	51.0
56.96554	4.4
57.03220	3.7
57.03431	65.2
57.07072	70.5
59.06110	8.2
61.32375	4.4
63.23969	4.6
67.05493	76.1
69.07052	46.3
71.15195	4.1
79.05466	77.3
81.03398	21.9
81.07038	100.0
83.04981	34.6
83.08591	9.3
85.10169	97.9
88.66969	4.0
91.05451	51.8
93.07029	54.3
95.04960	32.3
95.08583	74.2
97.06496	6.9
105.07018	62.6
107.04922	25.3
107.08570	30.8
109.06509	8.9
109.10136	27.1
113.09616	93.5
117.06988	6.3
119.08552	26.5
121.10090	24.0
123.08070	34.0
123.11649	5.5
129.06990	15.3
131.08528	27.8
133.08287	4.3
133.10075	10.5
135.11635	7.1
143.08516	4.6
145.10078	5.4
147.11662	26.2
149.09598	42.1
151.11215	6.2
163.11131	7.9
165.12729	82.2
179.14265	6.3
181.10431	4.8
191.00113	6.0
208.96338	6.2
250.97406	7.1
277.21521	44.9
295.22546	9.7
349.74878	4.8
351.18375	6.4
351.25275	48.0
369.16553	50.9
369.26328	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98470	2.4
53.03941	3.8
55.01861	18.0
55.05507	94.3
57.03426	36.1
57.07056	4.9
67.05491	74.1
69.03404	3.7
69.07045	35.0
71.08617	34.4
79.05479	40.4
81.07036	100.0
83.04956	6.3
83.08596	47.5
85.06541	4.5
91.05465	44.9
93.07004	35.8
95.04943	7.3
95.08584	41.6
97.06506	15.1
98.94797	3.2
99.08069	20.0
105.07036	31.0
107.08562	24.6
109.06513	5.2
109.10144	3.9
111.08113	6.9
119.08553	30.6
121.10118	18.1
123.11676	14.7
131.08542	4.6
133.10100	15.1
135.11687	4.0
145.10110	6.2
147.11641	24.4
149.13234	6.3
151.11134	7.4
157.10109	4.7
161.13269	4.5
165.12718	21.3
246.15686	3.3
259.20352	5.0
277.21567	37.1
284.84592	3.0
295.22687	6.9
330.46072	3.2
340.98929	3.2
351.25125	4.8
363.34375	3.2
369.26251	67.9
382.14917	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.6
55.01851	13.4
55.05504	97.0
57.03427	8.4
58.77855	1.9
60.02874	2.2
61.26627	2.2
64.02961	1.8
64.32990	1.8
67.05142	2.7
67.05489	52.0
69.07049	21.8
79.05470	28.8
81.03384	10.6
81.07037	55.2
83.04955	11.5
83.08604	100.0
85.06522	2.3
91.05466	43.8
93.07023	37.0
95.04950	9.1
95.08585	20.1
97.06493	10.0
105.07018	35.4
107.08575	24.6
109.06467	9.9
109.10143	5.1
111.08035	18.4
117.07015	3.1
119.08572	17.9
121.10123	11.6
123.08076	2.6
125.09608	2.3
129.06970	11.3
129.07831	2.1
131.08530	4.8
133.10114	31.5
135.11673	3.3
137.12276	2.1
139.11157	11.8
145.10164	3.5
147.11661	14.8
149.09579	4.9
149.13239	14.4
151.11111	4.6
157.10120	5.1
159.11641	3.0
161.13184	4.4
165.12714	10.3
167.14235	3.8
171.11607	2.5
173.13283	2.9
175.11070	3.1
176.44247	2.2
190.95363	4.2
208.96519	3.7
232.96367	3.1
247.37195	2.6
250.97383	4.1
259.20398	4.2
277.21509	33.6
351.25305	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01861	9.3
55.05506	39.4
55.34384	4.8
56.09744	5.0
57.03437	40.8
57.07059	30.4
67.05496	66.1
69.07060	39.7
71.04980	8.2
79.05483	39.8
81.03413	9.0
81.07041	88.0
83.04951	9.1
83.08594	10.2
85.10179	61.7
89.07188	4.1
91.05465	27.5
93.07014	41.7
95.04933	20.7
95.08610	36.2
97.06534	8.4
105.07035	45.7
105.19310	4.9
107.04907	4.6
107.08564	28.9
109.06520	6.4
109.10147	61.7
113.09630	27.0
119.08537	8.4
121.10107	11.1
123.11685	6.5
129.07002	4.9
133.10103	30.4
147.11777	4.5
149.09602	6.4
165.12735	43.5
192.62657	5.0
249.22350	7.6
277.21634	54.9
295.22632	100.0
369.26248	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92431	2.5
55.01867	19.6
55.05509	100.0
56.56883	2.2
57.03431	35.8
57.07065	5.5
59.05005	2.7
67.05494	60.5
69.07056	27.9
69.94320	2.5
71.04964	2.9
71.08611	41.0
71.33758	2.3
73.47771	2.4
78.23450	2.7
79.05479	36.9
81.03431	3.9
81.06596	5.1
81.07037	85.1
83.04958	11.2
83.08603	46.5
85.06552	4.6
85.10161	4.0
91.05472	46.6
92.08656	3.1
92.65401	2.6
92.66014	3.1
93.07021	38.8
95.04932	11.4
95.08582	46.8
97.06508	11.7
99.08082	18.6
105.07023	36.4
107.08578	20.3
109.06516	4.9
109.10138	14.5
111.08070	17.2
119.08548	23.6
121.10119	14.0
123.08052	3.3
123.11668	10.6
131.08568	4.2
133.10114	15.0
135.11705	3.6
139.11198	3.5
141.32399	2.5
145.10051	4.6
147.11671	19.2
149.09647	3.5
149.13254	5.0
151.11200	4.8
157.10114	2.9
163.11259	3.2
165.12679	21.3
175.11078	5.0
179.14322	4.3
226.19852	3.8
259.20657	4.6
277.21597	31.4
295.22537	6.5
351.25107	5.1
369.26300	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81315	5.0
55.01864	11.3
55.05502	89.8
57.03418	26.9
57.07056	8.6
57.12447	4.2
67.05492	75.0
69.03403	7.4
69.07043	51.0
71.04951	5.0
71.08621	45.1
71.08968	5.2
79.05466	54.6
81.03414	18.9
81.07040	100.0
83.04951	9.9
83.08585	47.3
91.05469	58.5
93.07031	55.4
95.04946	22.7
95.08572	42.0
99.08080	19.0
105.07025	52.0
107.04892	5.1
107.08589	40.3
109.06510	10.3
109.10125	18.5
111.08043	9.4
117.06992	9.9
119.08582	33.2
121.10144	19.4
123.11702	7.2
125.09628	8.9
127.03910	5.5
131.08487	6.4
133.10074	20.7
135.11688	9.1
137.05981	21.0
145.10129	8.6
147.04431	9.3
147.11649	23.0
149.13271	6.8
151.11133	12.1
157.10191	8.7
165.12752	8.6
171.03433	6.0
172.94354	6.6
175.03889	7.4
177.09067	5.0
179.14415	4.7
190.95358	9.3
207.06506	6.1
208.96478	6.1
233.04405	11.1
243.01772	6.8
259.20374	9.2
277.21652	38.8
285.62317	5.6
322.77509	5.2
347.04379	7.7
351.25211	22.6
365.05365	9.8
369.26498	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01867	0.7
55.05505	0.6
56.88090	0.2
56.96545	0.6
57.03419	1.5
61.02923	0.3
61.03469	0.3
65.03619	0.3
65.03922	2.7
66.20230	0.3
67.05502	2.4
69.03409	0.5
69.07047	1.6
70.06570	0.7
71.04983	0.7
72.08127	0.5
75.46137	0.3
79.05470	2.2
80.08850	0.2
81.03392	0.3
81.07026	1.8
81.66716	0.3
83.04945	0.5
83.08609	0.4
84.04492	0.5
85.02884	1.9
85.06515	0.4
89.03876	0.5
91.05466	10.4
92.63353	0.4
93.03387	2.8
93.07023	0.6
94.04147	1.8
95.04964	2.4
95.08588	0.7
97.02859	0.5
97.06514	3.0
98.97578	0.7
102.04671	0.4
103.05455	2.0
105.07008	5.3
107.04951	1.5
107.08586	0.4
109.06512	1.3
109.10154	1.2
110.07114	0.5
111.04404	1.1
115.05453	0.4
115.15318	0.4
117.07036	0.3
119.04920	11.4
120.54602	0.3
121.02841	2.1
121.06483	12.2
122.03624	6.2
123.04424	1.1
123.11846	0.3
124.78120	0.3
125.05946	0.4
127.11186	1.6
130.04118	1.9
131.04910	1.6
133.06471	3.4
134.03607	3.7
135.04396	1.7
136.07535	0.3
137.05959	100.0
145.06642	0.3
146.03587	0.4
147.04398	14.3
148.05090	0.5
149.05965	21.7
150.06763	3.6
151.07524	4.7
152.06136	0.4
153.05440	1.3
153.06972	5.4
161.05949	14.3
162.06749	7.3
163.07591	1.1
165.06955	2.0
167.08516	0.4
171.10165	0.4
171.13797	1.3
175.07661	0.3
179.07004	5.8
181.06447	8.6
182.07233	1.4
190.95428	0.3
193.06442	1.6
194.07237	0.4
195.08052	1.4
198.06677	1.0
209.05969	1.7
210.06754	1.3
213.09082	6.2
221.05943	1.6
222.06831	1.2
223.07440	0.5
224.08342	0.5
225.09099	2.7
227.10588	0.3
239.07010	0.4
241.08510	5.5
253.08498	4.1
255.10248	0.3
258.08853	0.5
265.08658	0.5
270.08835	1.3
273.11197	10.6
283.09613	5.2
285.11166	8.5
297.11163	1.6
303.12134	1.4
315.12216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97923	33.1
53.37625	43.4
54.81406	51.7
57.03376	37.7
58.87328	44.6
67.05412	46.1
68.96699	44.3
71.05003	42.0
77.58096	61.1
85.06508	41.0
91.45309	48.7
92.09201	81.6
98.54468	45.3
107.08545	100.0
111.04444	59.6
111.05247	47.0
113.98600	49.6
125.09660	50.0
133.21286	47.4
153.09082	84.3
181.79288	47.6
194.75896	46.2
197.75742	53.3
264.56076	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84295	0.4
55.05489	0.5
57.03425	0.5
67.05482	2.1
71.04993	0.6
75.97421	0.5
79.05467	2.3
81.07045	7.2
91.05479	1.8
92.08730	0.5
93.07034	0.9
95.08588	1.0
99.38302	0.5
101.58598	0.4
105.07006	0.7
107.08559	0.7
109.06478	1.9
110.95660	0.4
114.08958	0.4
119.08513	0.7
131.08588	0.5
133.10080	0.8
174.45187	0.5
181.63196	0.4
223.96848	0.4
275.19913	1.8
346.80240	0.5
349.23593	0.5
367.28146	100.0
368.28311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06283	5.9
55.05502	42.8
57.07080	22.4
59.65864	6.5
59.85563	5.9
67.05495	61.4
69.07050	31.9
77.76062	6.8
79.05482	42.4
81.07031	80.5
83.08601	14.2
85.06513	7.7
92.08690	11.6
93.07026	36.4
95.08572	65.6
97.06513	34.5
97.10102	8.7
99.08051	9.6
106.18867	7.0
107.08571	34.0
109.10158	16.3
121.10088	18.8
130.68365	8.4
135.11647	18.5
136.58080	6.7
155.95921	7.9
165.43982	8.0
233.16653	8.3
248.32043	8.7
262.13998	7.2
331.30234	8.7
349.31027	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	368.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17312	0.2
53.03928	0.6
55.01855	0.5
55.05506	0.3
55.18797	0.3
56.96559	0.6
57.03413	1.3
61.02903	0.5
65.03928	2.3
67.05492	3.3
67.05784	0.4
69.03416	0.5
69.07042	1.3
70.06567	0.7
71.04971	0.6
72.08141	0.4
79.05467	2.0
81.07050	2.1
83.04967	1.2
83.08610	0.4
84.05051	0.3
85.02894	1.6
85.06508	0.3
89.03912	0.6
91.05463	12.1
93.03368	2.5
93.06997	0.7
94.04163	1.3
95.04954	2.5
95.08580	1.2
97.06525	2.7
98.97567	0.3
102.04685	0.6
103.05453	1.7
105.07011	3.9
107.04943	2.0
107.08574	0.5
109.06505	1.1
109.10141	1.9
109.89814	0.3
110.07154	0.6
111.04413	1.4
115.05447	0.4
119.04922	9.4
121.02875	2.1
121.06490	13.3
122.03622	5.8
122.05986	0.3
123.04386	0.3
124.05183	0.4
125.05968	0.5
127.11176	1.2
130.04126	2.2
131.04903	1.4
133.02844	0.4
133.06467	3.9
134.03622	2.8
135.04382	2.3
136.07556	0.4
137.05962	100.0
143.06003	0.3
146.03648	0.5
147.04398	12.7
148.05165	0.4
149.05960	22.7
150.06755	3.5
151.07513	4.5
152.06192	0.4
153.05490	1.4
153.06978	5.5
153.12759	0.3
161.05959	15.0
162.06737	8.2
163.03815	0.3
163.07481	1.2
164.04631	0.6
165.06966	2.1
167.08519	0.6
170.07318	0.4
171.13748	0.7
175.73703	0.3
179.07025	4.1
180.97934	0.3
181.06453	8.6
182.07307	0.7
191.07027	0.5
193.06508	1.4
194.07228	0.7
195.07997	1.6
197.09590	0.5
198.06734	0.5
209.05917	2.2
210.06729	1.8
211.07515	0.3
213.09114	6.1
221.05975	2.0
222.06764	0.7
223.07581	0.5
225.09087	2.8
226.06259	0.4
237.02681	0.3
239.06952	0.3
241.08559	5.4
245.11839	0.4
253.08530	4.0
258.09058	0.4
265.08463	0.4
267.10046	0.3
270.08856	1.2
273.11185	9.5
283.09546	5.0
285.11154	9.9
297.11230	0.7
303.12119	1.3
315.12109	1.2
368.20923	0.3
386.65979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.3
53.03935	2.7
54.88412	1.0
55.01844	1.7
55.05505	24.7
57.07055	5.6
59.04984	1.8
61.44574	1.1
65.03905	2.0
65.10597	1.2
67.05490	37.7
69.03402	7.6
69.07056	17.3
71.04970	10.6
72.08919	1.5
73.66782	1.3
79.05479	38.9
81.07037	50.4
83.04963	1.7
83.08590	2.8
85.06520	2.6
91.05460	69.5
93.07030	78.9
95.04948	29.5
95.08015	1.9
95.08586	36.4
97.06514	10.5
103.05434	2.5
105.07015	100.0
107.04874	1.5
107.08575	50.5
109.06503	12.4
109.10145	29.4
110.44810	1.2
111.08015	1.6
115.05457	5.0
116.06170	2.4
117.06998	23.8
119.07713	3.2
119.08561	90.0
120.09295	2.0
121.06472	10.2
121.10117	39.6
123.08046	2.7
123.11674	8.0
128.06233	11.7
129.06982	20.4
130.07776	11.7
131.08542	49.3
133.10117	47.8
135.08029	12.3
135.11681	11.0
135.96092	1.5
137.09596	1.7
141.06909	5.5
142.07758	21.6
143.08546	41.6
144.09372	11.4
145.10112	57.7
146.07266	7.6
147.08047	6.8
147.11670	14.2
149.09573	8.8
153.06985	2.4
155.08542	10.3
156.09338	14.3
157.10112	42.0
158.10883	6.6
159.07971	2.8
159.11682	24.3
161.09595	23.8
161.13254	5.6
165.06943	1.9
167.08575	8.0
168.09319	5.9
169.10114	15.5
170.10876	2.8
171.11644	16.3
172.12451	3.2
173.09547	5.6
173.13223	16.4
174.08496	1.4
175.11127	3.3
175.14787	9.5
179.08540	7.8
180.09248	2.5
181.10085	10.3
182.10912	5.6
183.11676	15.7
185.09686	2.1
185.13222	8.8
187.14774	8.1
193.10034	3.5
194.10866	6.9
195.11661	8.4
196.12436	3.0
197.13185	10.2
199.14752	7.0
199.75816	1.6
201.12733	2.1
207.11707	3.3
208.12460	1.8
209.13219	10.2
211.14832	6.7
213.12874	2.4
221.13237	1.7
223.14815	3.2
227.14316	7.5
237.16380	1.8
241.19359	1.6
253.19525	1.5
290.96570	1.5
305.44962	1.4
349.24942	2.2
367.26285	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80455	1.3
53.00309	1.3
53.03925	3.4
55.01861	10.3
55.05271	1.7
55.05508	24.3
56.96567	1.3
57.03430	17.8
57.07066	1.5
59.04987	8.0
63.11051	1.5
63.48745	1.8
64.23417	1.8
65.03933	1.9
67.05492	53.3
69.03419	2.4
69.07058	30.0
71.04964	2.8
79.05470	47.5
81.03394	2.3
81.07040	100.0
83.04966	9.0
83.08615	11.1
85.02853	1.4
85.06536	3.1
91.05465	37.5
92.09286	2.3
93.07026	40.8
95.04943	11.4
95.08589	34.1
97.06521	12.2
97.10163	2.5
99.08060	2.3
100.79038	1.4
103.05474	2.6
105.07007	36.2
107.04955	8.5
107.08583	32.3
109.06518	8.0
109.10149	16.7
110.39208	1.4
111.08083	1.9
117.07029	10.1
119.08556	23.0
121.06487	3.6
121.10112	16.7
123.08036	3.1
123.11675	7.4
129.06956	3.8
130.07751	2.0
131.04843	2.4
131.08549	17.8
133.10115	24.5
135.08008	2.7
135.11644	3.8
137.05994	8.0
143.08559	2.2
145.06461	1.7
145.10124	12.9
147.04332	2.2
147.11662	11.1
149.09599	10.6
149.13286	2.3
153.05466	20.8
157.10130	3.0
159.04396	2.7
159.08067	1.9
159.11682	10.0
161.05939	2.1
163.11172	3.3
165.12706	1.7
173.13170	2.9
175.11111	2.0
176.04510	1.8
177.05414	6.2
177.12726	2.6
187.07539	1.8
187.11198	2.0
191.07024	12.3
197.13280	2.8
214.34599	1.9
257.18967	3.7
269.17526	3.4
275.19980	37.7
293.20908	3.0
331.15326	11.1
349.16400	2.3
349.23746	14.2
367.20633	10.1
367.24820	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71233	0.7
52.61510	0.7
53.00268	0.8
53.03935	3.3
55.01869	10.2
55.05269	1.3
55.05506	26.1
57.03432	19.6
57.07057	4.2
67.05148	1.9
67.05494	46.8
69.03413	4.4
69.07057	33.5
71.04991	3.3
72.90761	0.9
75.04459	0.9
79.05482	39.2
81.07043	57.9
83.04971	13.8
83.08143	1.3
83.08577	8.3
85.06528	1.6
91.05464	38.6
92.08644	0.9
93.07028	55.6
95.04955	15.8
95.08591	37.8
97.06510	8.0
97.10175	3.5
99.08033	0.8
102.28159	0.8
105.07018	47.8
107.04942	20.8
107.08585	34.1
109.06503	22.6
109.09628	0.8
109.10153	14.3
110.53793	0.9
111.04378	0.9
111.08062	1.7
117.07002	17.4
119.08563	26.4
121.06501	20.0
121.10130	15.1
123.08065	11.1
123.11699	3.8
125.09574	1.3
125.80261	1.0
128.04884	0.9
129.07036	7.1
131.07637	1.5
131.08551	27.3
133.06505	6.9
133.10112	32.3
135.08028	12.6
135.11682	9.8
137.09592	4.1
142.07732	1.4
143.08519	5.8
145.06500	1.7
145.10123	23.1
147.08043	6.3
147.11685	16.3
149.09616	8.9
149.13223	5.5
151.11162	7.9
155.08548	4.5
157.10052	6.1
159.08012	4.0
159.11711	13.2
161.09592	3.3
161.13246	3.6
163.11183	10.8
165.12747	0.8
169.10049	2.2
171.11629	1.9
173.09604	3.8
173.13242	6.6
175.11185	2.2
177.12691	3.7
183.11687	3.9
185.13156	1.1
187.11163	2.2
187.14845	1.5
189.12703	1.5
191.14270	3.9
197.13219	3.6
201.12680	3.9
207.13815	3.8
215.14241	1.3
215.17931	2.2
219.13739	4.6
229.19510	1.6
233.15425	1.1
239.17929	2.0
239.83650	1.0
247.20572	4.0
257.18991	14.8
275.20029	100.0
293.21048	11.3
301.72375	0.9
341.49316	1.0
349.23694	91.0
367.24609	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	367.2476
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03945	2.3
55.01866	11.1
55.05505	25.7
56.96539	1.0
57.03425	10.5
57.07066	4.1
62.88663	0.9
65.03925	1.2
67.05492	43.4
69.03423	2.6
69.07055	35.8
69.30383	1.0
69.70321	0.9
71.04984	2.1
79.05479	41.1
81.03452	1.1
81.07040	55.8
83.04974	15.4
83.08624	7.4
85.06505	1.0
91.05455	41.9
93.07027	52.6
95.04951	15.0
95.08586	31.0
97.06513	8.8
97.10143	2.3
103.05485	1.3
105.07017	55.1
107.04950	13.2
107.08577	26.2
109.06502	19.8
109.10154	14.9
111.08061	2.4
115.05380	1.2
117.06994	18.3
119.08568	26.3
121.06473	24.2
121.10117	16.7
123.08051	10.9
123.11730	4.3
128.06221	1.3
129.06976	5.7
129.98512	1.2
131.08549	31.7
133.06503	6.9
133.10109	27.3
135.08020	11.0
135.11711	10.5
137.09612	2.6
141.06969	1.2
143.08591	6.1
145.06424	4.0
145.10114	22.8
147.08035	6.6
147.11673	19.9
149.09608	9.5
149.13266	4.3
151.11179	6.9
153.10393	1.1
155.08521	3.8
157.10130	6.3
159.08011	4.2
159.11664	12.5
161.09610	4.6
161.13293	4.6
163.11150	11.2
165.12732	1.3
169.10133	2.4
171.11642	5.1
173.09570	4.5
173.13235	6.6
175.11115	2.1
177.12738	2.6
183.11700	6.5
185.13004	1.0
187.11166	2.6
187.14755	1.3
191.14281	4.5
197.13188	1.9
201.12787	4.7
203.14436	1.2
207.13759	2.5
215.17934	1.6
219.13841	1.8
229.19449	2.3
231.17455	1.4
233.15186	1.4
239.17848	4.3
247.20517	4.2
257.18948	12.7
275.20010	100.0
276.20288	1.9
293.21048	9.3
331.23300	1.3
343.01712	1.1
349.23688	57.9
350.24121	1.1
353.84256	1.2
367.24658	15.6
394.14078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01868	30.1
55.05508	78.9
57.03171	2.5
57.03431	40.4
60.08990	1.6
65.03912	2.4
67.05148	3.5
67.05495	100.0
67.34113	1.9
69.03409	2.1
69.07055	43.4
69.84110	1.8
70.23256	2.3
71.04964	13.1
79.05476	83.0
81.03392	7.8
81.07038	66.8
83.04972	51.6
83.08611	41.3
84.79566	2.1
85.02876	14.1
91.05466	48.3
92.08722	2.2
93.07027	89.0
95.04955	71.2
95.08589	41.5
97.06511	12.6
97.10152	10.4
99.04420	23.5
102.99393	1.7
103.34373	1.8
105.07011	40.2
107.04950	18.9
107.08578	58.5
109.06540	13.4
109.10155	23.8
111.03654	3.0
111.04430	59.7
111.08070	13.9
117.07010	18.6
119.08556	28.4
119.68342	2.1
121.06494	7.3
121.10123	36.4
123.08041	8.8
123.11665	1.9
125.05959	3.9
125.09589	10.8
129.06973	2.6
130.07759	2.3
131.08546	20.5
133.10117	14.9
135.08072	2.8
135.11632	18.1
135.42567	2.0
137.09572	3.9
139.11166	4.2
143.08551	3.9
145.10132	30.3
147.08031	3.1
147.11659	11.9
149.09593	28.2
151.11159	2.5
153.12749	7.9
154.32137	2.3
159.11630	8.3
163.11172	31.5
173.13339	3.0
183.11652	2.2
189.11208	7.6
205.12253	4.0
223.13281	40.6
227.12596	2.8
257.18896	4.6
275.19992	49.8
293.21091	16.7
306.56073	2.3
367.20630	5.6
367.24670	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95100	1.2
53.00296	1.4
53.03937	2.9
55.01864	21.6
55.05505	39.5
57.03428	24.7
57.07045	1.5
62.75442	1.1
65.03921	2.2
67.05146	2.5
67.05490	65.3
68.48234	1.1
69.03401	5.6
69.07051	31.0
71.04962	3.0
79.05473	63.4
81.03392	6.1
81.07035	100.0
83.04961	8.7
83.08606	11.5
85.06535	2.1
91.05458	52.0
92.08698	2.1
92.63689	1.5
93.07023	47.4
95.04952	12.5
95.08587	44.4
97.06496	16.9
97.10126	7.6
100.30944	1.1
101.36978	1.2
103.05401	1.3
105.07011	49.5
107.04946	13.5
107.08566	35.9
109.06520	11.3
109.10149	17.0
109.24824	1.2
111.08093	5.8
115.05374	1.7
117.06995	17.3
119.08554	38.3
119.66687	1.2
121.06454	6.7
121.10107	15.6
123.08031	6.0
123.11696	6.6
125.09589	2.1
129.06964	5.4
131.08536	24.1
133.10097	27.7
135.08035	7.0
135.11650	11.8
137.09581	2.6
142.07722	1.8
143.08530	6.1
145.10126	18.4
147.08058	1.8
147.11662	18.8
149.09625	13.4
149.13216	2.6
151.34264	1.6
155.08536	5.2
157.10109	6.1
159.11667	10.4
161.13225	3.2
163.11169	5.6
165.12764	2.6
169.10130	1.8
171.10110	2.4
171.11656	4.9
173.13200	2.6
175.11192	1.6
177.12770	1.8
211.14824	1.4
229.19527	2.2
239.17903	2.2
247.20406	2.5
257.18945	7.4
269.17496	2.3
275.20020	44.3
293.21091	3.1
349.23648	30.1
367.15167	16.0
367.20346	2.5
367.24640	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.4
54.82670	1.0
55.01861	11.6
55.05500	28.6
56.96541	1.5
57.03422	20.3
57.07058	2.1
64.85869	1.2
65.06866	1.2
67.05486	61.5
69.03407	3.0
69.07047	19.2
71.04962	5.2
79.05467	53.8
81.03364	3.1
81.07031	100.0
83.04956	9.6
83.08598	10.3
86.38557	1.3
91.05458	45.9
93.07021	37.7
95.04952	11.0
95.08576	37.3
97.06484	11.3
97.10147	2.0
99.08066	1.7
105.07006	41.5
107.04942	8.3
107.08569	25.0
109.06503	11.8
109.10133	16.3
111.04375	1.7
111.08030	2.4
113.52501	1.3
117.06980	13.5
119.08551	38.0
121.06488	3.1
121.10106	9.7
123.08033	5.7
123.11660	5.6
125.09617	1.3
128.06168	1.3
129.06966	5.6
130.07782	1.5
131.08514	14.1
133.10094	24.9
135.08000	5.2
135.11647	7.0
137.09541	2.3
143.08554	2.4
145.10078	16.7
147.11647	13.5
149.09612	9.2
149.13220	5.8
151.11169	2.2
153.43497	1.5
155.08522	1.5
157.10065	1.7
159.11665	9.8
161.13199	1.5
163.11169	2.2
165.12714	2.2
173.09660	1.6
173.13237	5.1
175.14783	1.7
177.12726	1.8
239.17943	2.6
247.20502	1.5
256.34042	1.5
257.18826	3.1
269.17383	2.7
275.19977	26.2
285.10074	1.7
293.20978	1.4
349.23611	19.1
367.24713	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01859	7.4
55.05267	1.2
55.05507	23.6
57.03174	1.1
57.03427	18.5
57.07057	0.9
57.28658	0.6
58.15798	0.6
60.90087	0.7
64.19171	0.6
67.05492	43.8
69.03417	1.4
69.07052	27.0
71.04984	3.4
71.08619	0.9
79.05473	39.6
81.03404	3.3
81.07036	100.0
83.04976	5.3
83.08606	8.8
85.06520	3.3
91.05463	27.2
93.07018	28.8
95.04937	8.2
95.08585	23.1
97.06499	9.0
97.10159	1.4
98.98441	1.9
99.08065	1.0
105.07008	26.0
105.07734	0.9
107.04928	6.7
107.08578	19.6
109.06487	12.9
109.10163	8.0
111.08060	4.4
117.07012	7.2
119.08553	15.3
121.06506	1.8
121.10126	9.4
123.08041	4.8
123.11646	6.0
125.09641	1.6
129.06998	1.7
131.08545	12.4
133.10100	10.9
135.08022	1.3
135.11659	5.0
135.12566	0.8
137.05937	1.3
137.09601	1.2
143.08553	1.4
145.10094	6.5
147.07909	0.8
147.11676	11.0
149.09570	5.5
149.13269	5.0
151.11183	3.1
153.32697	0.7
157.10123	1.8
159.11656	5.7
161.13286	0.9
163.11191	3.7
165.12747	3.2
167.14261	0.8
173.13228	1.4
177.05504	0.9
177.12744	1.4
192.39519	0.8
195.13780	1.8
203.93498	0.8
213.14691	0.7
218.26624	1.0
257.18781	1.1
260.70108	0.7
263.29230	0.8
269.17358	8.3
275.20007	19.6
293.21158	3.7
349.23532	6.9
367.14969	3.8
367.20715	2.2
367.24731	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	367.2453
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
57.59506	0.6
59.89609	0.7
67.05495	0.8
69.07053	0.7
110.47688	0.7
112.19576	0.7
129.77414	0.8
185.34998	0.8
199.62329	0.8
233.79581	0.9
367.24493	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39712	2.0
53.03939	4.5
54.81952	2.5
55.01868	32.3
55.05237	3.2
55.05507	95.1
56.51696	2.1
57.03433	42.0
57.07068	3.1
59.29184	1.9
65.03938	3.8
67.05493	100.0
67.53976	2.2
69.03407	3.2
69.07055	56.7
71.04951	17.4
73.97300	2.3
79.05471	89.8
81.03391	9.6
81.07036	94.0
83.04971	54.4
83.08600	45.9
85.02890	16.0
85.06518	3.5
91.05457	57.7
92.64216	2.5
93.07021	93.4
95.04945	79.1
95.08587	49.9
97.06538	21.4
97.10140	11.7
99.04428	30.1
105.07017	43.7
107.04929	17.1
107.08578	69.3
109.06513	15.7
109.10118	24.1
111.04430	61.0
111.08083	15.6
112.68212	2.3
115.05478	2.4
116.06204	2.3
117.07005	21.3
119.08540	26.8
121.06505	15.1
121.10115	40.3
123.08056	10.8
123.11621	4.1
125.09597	11.5
129.06969	9.2
131.08536	27.9
133.10115	16.1
135.08014	5.1
135.11646	21.0
139.11101	3.0
143.08521	2.7
145.10098	31.3
147.11668	10.7
149.09604	39.4
150.78734	2.5
151.08156	2.1
151.11298	2.6
153.12711	2.8
159.11650	13.3
163.11172	39.3
165.12718	4.7
171.11719	2.4
175.11104	3.3
177.12721	5.6
181.12209	4.5
189.11206	9.8
205.12331	3.5
223.13266	51.3
229.19487	2.6
257.19077	10.1
275.20007	61.9
293.20993	29.0
367.24710	59.5
388.83270	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.1
53.03930	4.2
55.01860	7.8
55.05504	21.7
56.08564	0.9
57.03428	18.3
65.03941	0.9
67.05143	1.7
67.05493	43.0
69.06715	1.6
69.07054	31.0
71.04972	1.5
79.05476	40.3
81.03379	2.1
81.07040	100.0
83.04964	9.8
83.08595	11.1
85.06516	1.8
91.05463	26.6
93.07021	27.3
95.04959	6.8
95.08588	23.1
97.06505	9.2
97.10179	1.3
98.98431	5.9
99.08101	1.8
105.07019	25.6
107.04923	7.2
107.08579	24.0
109.06520	11.5
109.10139	6.8
111.08032	2.4
117.06976	6.7
117.97267	1.0
119.08543	17.7
121.06464	3.7
121.10128	10.9
123.08024	5.5
123.11698	2.4
125.09619	1.1
129.07008	2.3
131.08537	10.1
133.10092	9.3
135.07961	1.2
135.11673	2.3
137.05902	1.0
145.10101	6.3
147.11693	10.7
149.09604	6.5
149.13231	5.2
156.40259	1.1
157.10080	1.4
159.11621	6.1
161.13191	1.4
163.11119	2.2
165.12723	1.4
173.09676	1.1
177.05484	1.0
177.12764	1.9
187.11256	1.3
191.10455	1.2
195.13802	1.7
255.74712	1.0
257.18896	4.2
269.17450	11.0
273.18802	1.1
275.20038	18.7
293.21127	2.1
349.23624	8.4
367.14999	4.1
367.20850	2.4
367.24747	27.3
369.93585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1513
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
50.98737	0.5
55.05505	1.0
67.05485	0.7
74.90175	0.7
75.88091	0.6
79.05470	0.9
81.07036	1.3
83.07173	0.6
90.63583	0.6
91.05459	1.3
91.07677	0.7
93.07017	0.9
93.08858	0.6
95.08589	0.7
115.63135	0.6
133.10216	0.6
139.05693	0.7
171.04181	0.7
186.06442	1.6
215.11267	0.9
283.52408	0.7
359.94095	0.7
367.15097	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	367.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09544	0.9
55.01845	1.3
55.05499	8.1
57.03423	2.7
61.65150	1.1
67.05492	11.2
69.07048	6.3
74.03057	1.1
79.05473	8.6
80.54164	1.2
81.07027	12.8
83.04965	1.6
86.27213	1.1
91.05454	11.3
93.07014	13.4
95.04958	2.8
95.08588	6.9
97.06511	1.4
98.42057	1.0
105.07008	11.7
107.04926	2.7
107.08573	7.4
109.06491	4.6
109.10170	1.8
117.06965	1.8
119.08537	6.2
121.06506	2.2
121.10077	2.8
123.11675	1.6
126.49510	1.2
131.08528	7.4
133.10086	6.2
134.46091	1.1
145.10083	5.7
147.11656	4.6
148.76250	1.1
149.09497	1.9
153.40126	1.1
156.25079	1.1
159.11687	1.4
163.11145	1.7
171.04103	1.6
173.13182	1.4
175.11221	1.4
186.06456	15.7
257.18988	1.8
275.20053	19.2
349.23599	21.7
367.15076	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	367.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80484	7.5
55.05508	9.9
56.96558	99.7
61.88519	7.8
64.33565	10.6
67.05479	32.5
79.05480	33.6
81.06622	9.3
81.07018	70.6
90.59092	8.5
91.05470	18.5
105.07048	9.5
109.91639	8.2
115.82984	8.7
117.06976	9.2
119.08593	12.2
133.10107	11.4
146.99649	35.6
209.29422	9.6
213.08070	12.1
217.07520	17.1
225.08000	8.9
231.09109	59.6
241.11124	10.1
251.09497	11.9
255.09058	13.1
257.10550	9.2
269.10608	69.7
273.10138	13.0
275.59354	8.0
287.11603	53.2
331.15863	20.4
335.18100	10.2
349.16711	35.1
367.17587	71.3
384.29453	9.1
385.18961	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	367.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80820	4.8
55.01859	20.2
55.05504	24.2
57.03419	5.1
57.95890	4.3
67.05491	34.7
69.07052	22.9
71.21837	4.6
71.70316	4.1
79.05481	33.0
81.07040	48.8
83.08592	6.5
91.05454	30.5
93.07037	38.4
95.04925	5.5
95.08582	32.9
97.06516	10.1
97.92620	5.2
105.07001	24.3
105.57398	4.9
107.08566	31.3
109.10092	5.6
117.06971	5.9
119.08578	10.8
121.06493	7.9
131.08525	8.8
131.66573	5.7
133.10110	11.6
135.04387	7.4
138.36482	5.5
145.10118	8.3
197.53706	6.3
222.84769	5.0
250.06110	5.6
275.20029	22.3
349.23550	8.6
367.11053	6.4
367.20844	100.0
367.24548	21.4
367.28204	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49371	0.3
55.01871	2.1
59.04992	1.8
60.88382	0.2
71.37309	0.2
78.92521	0.2
79.05470	4.5
81.07035	0.5
85.44643	0.3
91.05463	1.3
93.06997	0.3
95.04964	1.6
95.08633	0.4
103.05463	3.2
105.07017	52.2
107.04919	0.5
109.06496	3.3
111.04451	0.5
117.06981	0.5
119.08562	0.4
122.03643	1.7
123.04431	0.5
124.05250	2.2
131.04855	0.4
133.06473	54.7
136.05124	0.4
137.05959	75.2
138.06323	0.5
143.08549	0.7
145.06419	0.6
149.05954	0.4
150.06851	0.6
151.07553	0.4
153.50578	0.3
154.52966	0.3
165.09081	100.0
166.09415	0.5
171.08011	0.5
174.06718	0.7
179.06999	8.7
186.12244	0.3
189.09091	1.3
207.10054	2.6
257.49725	0.3
331.15335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01859	3.7
55.05505	46.0
57.03432	16.3
67.05498	58.4
68.29281	1.8
69.03419	4.3
69.07056	26.4
69.34349	1.8
71.04990	2.9
79.05051	3.5
79.05474	66.0
81.03401	1.9
81.07042	65.5
83.04959	8.6
83.08596	10.4
91.05463	100.0
93.07021	56.2
95.04918	14.1
95.08582	34.8
95.33637	1.9
97.06510	31.5
97.10162	5.0
98.06844	3.5
98.35237	2.4
105.07015	76.9
107.04882	3.7
107.08569	20.4
109.06492	9.8
109.10149	3.3
115.05429	10.9
116.06174	4.2
117.06998	45.9
119.04900	4.3
119.08575	38.5
121.06490	10.9
121.10136	15.8
123.08036	7.3
125.09581	3.8
128.06195	30.2
129.06984	32.0
130.07765	16.5
131.07645	3.3
131.08549	73.8
133.06476	9.4
133.10104	23.4
135.08031	3.0
135.11607	3.0
137.05943	12.3
137.09583	3.7
138.06297	2.7
141.06975	13.5
142.07759	4.6
143.08536	72.3
144.09279	2.2
145.06470	5.0
145.10112	69.6
147.08049	9.5
147.11653	8.5
149.09605	3.4
155.08546	9.3
157.10097	22.6
159.11633	11.5
161.09605	11.7
163.11177	2.3
165.02890	1.9
165.06963	2.9
167.08446	2.4
169.10077	10.3
171.11630	14.3
173.09604	2.2
173.13472	2.1
181.10075	12.6
183.11598	7.5
185.13203	4.1
195.11687	13.1
227.17926	2.9
228.24716	2.2
233.11707	3.7
234.11986	7.7
237.16324	10.8
245.19066	2.1
255.17439	9.0
273.18439	28.4
283.54578	2.1
303.15878	2.4
326.60315	2.2
347.22083	31.7
365.19321	37.4
365.23303	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	366.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
56.96568	1.4
57.03415	2.3
57.81034	1.3
61.02914	2.2
63.16570	1.3
65.03925	2.2
67.05480	1.8
69.03403	14.2
73.02888	1.9
79.05479	2.2
81.03403	3.3
81.07057	1.6
85.02885	25.3
87.04440	2.1
88.44296	1.5
91.05441	1.7
93.07031	2.2
95.04958	2.2
95.08578	2.1
97.02869	8.7
98.97551	5.8
99.02644	7.8
105.07019	3.6
109.02852	2.1
109.06493	1.8
109.10204	1.5
113.02992	3.0
116.52803	1.5
116.98628	5.0
123.08060	3.8
126.03693	15.2
134.99641	3.0
140.05249	32.9
148.19162	1.6
151.07524	3.5
154.58455	1.4
157.05536	38.0
167.07042	1.5
168.04816	3.6
168.07397	1.6
169.08658	3.7
177.00551	2.2
186.05791	100.0
186.30682	1.7
187.09538	1.8
204.06860	45.5
278.03058	1.9
324.09912	1.5
366.12082	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	365.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01871	9.9
55.05508	10.9
57.03429	9.3
65.03902	1.4
66.29014	0.9
67.05494	16.5
69.07043	5.6
71.04967	1.8
79.05470	25.8
81.03403	1.9
81.07037	36.9
83.04967	11.7
83.08613	2.3
85.02878	6.1
86.92836	0.9
91.05466	13.9
93.07024	14.5
95.04928	7.3
95.08585	7.0
95.80000	1.0
97.06505	19.3
97.10170	2.0
98.06841	5.5
99.04408	1.8
105.07005	11.2
107.04942	4.8
107.08559	6.9
109.06503	10.6
109.10136	1.6
111.04426	13.4
111.08051	1.7
117.07000	6.4
119.04891	1.2
119.08566	8.5
121.06471	4.1
121.10113	4.0
123.04484	1.1
123.08050	5.1
125.09589	1.6
129.06949	3.6
131.08537	3.9
133.06461	1.8
133.10120	3.9
135.08022	1.6
135.11670	2.3
137.05948	7.9
138.06284	3.9
143.08496	2.2
145.06479	1.0
145.10110	5.8
147.08011	1.9
149.09674	1.0
153.12740	2.1
161.09532	1.1
163.11156	4.0
169.16014	1.0
171.11697	1.4
173.09583	1.5
181.12209	3.9
191.10672	1.9
227.12762	1.4
233.11618	5.5
234.12091	5.5
273.18500	7.8
285.14673	1.5
286.14996	2.3
291.19473	14.6
304.15958	1.2
330.17703	1.1
332.72534	1.2
365.22903	100.0
383.84174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2306
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.76737	0.9
53.03922	1.6
55.01854	5.3
55.05507	10.1
57.03430	7.6
59.54539	0.9
67.04510	0.9
67.05491	12.6
69.03413	1.3
69.07039	7.4
71.04982	1.9
79.05142	0.9
79.05486	17.6
81.03403	1.5
81.07037	29.6
83.04984	9.5
83.08581	2.4
85.02889	2.4
91.05445	11.0
93.07028	11.6
95.04966	5.5
95.08583	6.7
97.06514	12.3
97.10154	1.6
98.06839	2.3
99.04449	1.3
101.17149	1.0
105.07021	5.4
107.04935	2.2
107.08578	4.8
107.65924	1.2
109.06497	6.1
109.10153	2.0
111.04435	10.0
111.08050	2.0
117.06975	6.3
119.08524	7.0
121.06490	2.3
121.10094	4.3
123.08028	5.4
131.08534	1.9
135.11716	1.5
137.05956	2.7
138.06297	1.9
143.08556	1.4
145.10098	4.5
147.08005	1.5
161.09673	1.6
163.11162	2.0
165.09090	1.3
181.12239	1.7
205.08376	1.3
233.11755	2.1
234.12009	6.4
239.09859	1.1
245.19038	1.2
273.18539	2.4
286.15088	2.4
291.19583	9.2
347.21896	1.5
365.22922	100.0
376.28046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05505	1.3
55.93858	0.7
56.75514	0.7
56.96574	0.8
57.03426	3.2
59.06808	0.9
59.45282	0.6
60.74617	0.8
61.84229	0.8
67.05483	4.1
69.07050	3.2
79.05461	4.0
81.03401	0.9
81.07026	3.6
83.08603	0.8
85.06523	1.8
85.15716	0.8
91.05450	3.2
93.07024	3.5
95.04936	3.5
95.08578	1.4
97.06501	21.3
98.06853	4.7
105.07001	1.5
107.08537	3.2
109.10213	0.8
113.05986	1.1
119.04890	1.3
119.08546	1.0
131.05081	0.8
133.06366	0.9
135.07997	1.1
137.05930	8.4
140.38867	0.8
157.10155	1.0
159.07870	1.1
189.09117	3.0
201.12761	0.9
209.11409	0.9
223.76352	0.9
233.11737	6.4
234.12012	5.9
237.10942	1.6
242.12541	1.0
286.15091	1.6
291.19577	0.8
303.15906	1.6
304.16086	1.0
327.41095	0.8
329.17310	1.6
330.17596	1.3
347.18579	1.7
365.19284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89087	1.4
57.03392	1.5
58.14019	1.5
58.29081	1.6
65.96897	1.5
67.05483	3.5
69.07066	3.5
71.04958	1.5
79.05468	3.5
81.07015	5.6
82.00287	1.7
83.04955	1.9
91.05453	3.4
97.06506	22.7
98.06834	6.9
107.08552	2.0
121.02637	3.1
137.05959	9.2
138.06328	2.1
164.07988	2.3
177.08876	2.0
189.09096	1.7
204.64278	2.1
205.08333	69.9
220.76114	1.9
230.12451	1.9
233.11633	11.3
234.12059	9.7
286.15176	2.4
289.17639	2.7
291.19516	1.7
296.89902	2.0
329.17609	1.7
347.18289	3.2
361.86447	1.9
365.19214	100.0
365.23062	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	365.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	3.5
61.68660	1.3
61.95583	1.2
69.03429	3.0
70.06580	2.5
72.08125	2.0
81.07014	1.6
84.08159	2.9
84.86521	1.3
85.02884	5.8
91.05460	2.2
93.06994	1.8
96.70320	1.4
98.97542	2.1
107.08573	5.7
109.06516	5.6
116.98560	1.5
120.08050	1.5
121.10132	1.7
125.09605	6.0
128.98518	1.4
131.04919	1.6
145.02867	3.2
146.99603	1.7
147.04375	2.1
153.05405	1.6
167.10681	2.0
177.05367	1.8
185.04146	2.0
185.11681	1.9
203.05298	2.6
224.74286	1.7
330.76468	1.4
364.12610	1.7
365.05411	3.3
365.12006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02745	0.7
68.33224	0.7
87.47691	0.7
105.80876	0.7
109.40879	0.7
146.26320	0.7
186.06563	2.9
285.60938	0.7
365.13510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21319	0.7
53.03353	0.7
53.74759	0.8
55.01852	1.4
55.05488	1.5
57.03424	6.3
67.05486	5.9
69.07049	4.3
73.14866	0.9
78.13496	1.1
78.85638	0.8
79.05470	5.5
81.07031	4.0
82.57417	0.8
85.06529	1.8
91.05462	5.1
93.07022	3.9
95.04941	4.4
97.06512	16.7
98.06851	5.4
105.07012	1.9
107.08599	1.1
109.06544	0.9
113.05988	4.1
113.65122	0.9
119.08571	1.6
119.38860	0.9
126.36900	1.0
131.08673	1.1
135.08026	1.4
137.05954	7.7
138.06300	1.9
147.04427	1.3
165.05145	1.4
165.08885	0.9
209.11491	1.6
215.10600	1.1
216.10959	1.1
233.11803	6.4
234.12045	4.3
237.10974	1.3
286.15121	1.8
303.15936	2.1
329.17398	1.2
330.17838	1.6
347.18332	1.6
365.19308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81586	1.5
56.96557	51.9
63.46328	1.4
64.33226	1.6
67.05487	7.0
68.01932	1.4
70.02928	3.2
70.06569	2.2
71.04984	2.3
72.08109	1.7
73.02909	3.5
76.85239	1.4
79.05481	2.3
83.04946	1.7
84.08087	1.6
84.96017	7.9
85.02899	2.8
85.06567	1.6
91.05452	2.2
92.64714	1.6
93.07035	2.7
95.04948	3.8
97.06535	2.0
98.02378	11.3
98.97560	76.3
100.03992	2.5
105.07066	1.8
106.27300	1.5
107.08592	3.9
110.07127	1.7
110.97560	27.6
112.99117	32.0
113.05958	2.0
116.03455	5.3
116.98603	50.4
117.07019	2.5
121.10139	3.7
124.07547	11.2
124.99101	9.1
125.07874	1.8
127.00710	2.3
128.98584	50.6
131.00146	82.2
134.99640	30.7
137.05949	2.8
142.08623	12.5
143.00145	41.9
143.08911	2.7
145.01727	7.2
146.99625	63.4
147.04428	2.4
149.01202	100.0
153.00732	3.2
155.60497	1.5
158.99637	7.6
161.01187	72.2
162.99168	2.3
163.02737	3.8
165.00667	13.4
167.02260	17.6
167.10707	1.9
170.99550	2.0
173.01144	3.6
175.02759	2.0
177.00687	8.9
179.02199	19.8
184.09750	6.8
185.01151	24.8
187.01248	1.9
187.02705	15.0
189.00708	13.6
191.02238	9.8
202.10733	35.2
202.12483	2.7
203.02252	96.6
203.11052	17.9
205.03865	3.6
215.84798	1.7
221.03310	44.2
226.03773	2.9
227.02211	3.5
245.03290	30.1
263.04352	21.0
281.76096	1.6
305.05417	7.2
311.08026	1.7
365.20563	2.1
384.65881	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09255	0.6
60.99302	0.7
74.03407	0.8
74.03843	0.7
74.91867	0.6
91.94796	0.9
142.59424	0.7
144.27272	0.8
185.04187	21.6
203.05237	64.1
245.14507	1.0
365.10538	100.0
366.10767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93535	0.7
63.87206	0.8
66.71777	0.8
71.60857	0.9
77.18115	0.8
83.69050	0.7
185.04163	18.3
191.00360	0.9
202.06445	0.8
203.05238	57.5
214.66203	0.9
251.62415	0.8
308.33698	0.9
365.10458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40306	2.9
55.01855	3.6
56.96561	42.0
57.03436	3.9
69.03422	3.6
69.07043	7.0
70.06585	8.2
72.08148	14.7
75.58712	2.8
79.05469	7.6
81.07034	6.4
83.04965	4.1
84.04477	4.9
84.08133	5.0
85.02880	21.2
86.09687	6.3
93.07058	6.6
95.04950	4.1
95.08572	5.5
97.02874	5.3
97.06496	3.3
98.97582	35.4
105.07057	6.3
107.04910	3.8
107.08568	8.5
110.97573	8.1
116.98603	25.4
119.04964	4.8
122.75462	3.3
128.98625	13.9
133.06494	4.8
134.99643	13.8
137.05957	23.5
138.06326	15.8
145.02902	6.9
146.99651	16.7
147.04372	25.3
149.09637	5.3
161.01199	7.9
164.10979	3.3
165.09077	4.6
167.06989	4.8
167.10687	4.1
171.10106	4.0
177.00667	5.8
177.05479	5.0
180.06548	3.9
185.11688	5.8
189.00716	3.6
195.03371	6.4
196.22301	3.3
203.05292	4.4
213.04213	28.1
219.01653	5.8
231.08696	7.5
235.07784	4.6
237.02824	17.4
239.02219	27.5
253.58415	3.6
257.03262	18.2
290.49002	3.4
329.11725	3.9
365.05869	100.0
365.14316	15.0
383.06628	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	364.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40041	1.0
53.00284	1.8
53.03942	2.0
53.09254	1.1
53.13073	1.0
54.38675	1.2
55.01860	6.1
55.05508	21.7
57.03422	7.3
57.07067	1.4
62.23590	1.2
67.05153	1.6
67.05495	42.8
69.03400	2.7
69.07058	22.1
70.06558	1.3
71.04972	3.0
71.08619	57.7
79.05055	2.3
79.05480	43.9
81.03397	2.5
81.06600	2.4
81.07044	49.1
83.04958	9.3
83.08599	13.1
85.06520	1.6
91.05468	31.0
93.07029	27.1
95.04922	10.1
95.08589	31.5
97.06512	100.0
99.08076	38.8
105.07018	37.0
107.04960	2.1
107.08591	14.8
109.06482	5.2
109.10127	6.0
111.08073	4.6
112.68090	1.3
113.09617	1.3
117.06992	6.6
119.04899	3.0
119.08531	13.0
121.06460	2.3
121.10107	7.4
123.08009	1.3
125.09605	2.1
129.06976	1.5
131.08557	7.3
133.06476	24.1
133.10115	11.6
133.88725	1.1
135.11668	7.9
137.05963	58.0
137.09610	2.2
139.07529	1.4
139.11168	5.9
143.08603	1.6
145.10085	6.0
147.04346	5.8
147.11688	2.7
149.05971	1.7
149.13242	5.3
151.11172	26.4
157.06509	1.5
157.10155	2.3
159.11722	5.8
161.05974	1.5
161.13245	15.5
163.07581	2.3
163.11168	15.2
165.09077	40.6
165.12782	1.4
169.10130	1.4
171.08023	2.4
177.08995	5.0
179.14264	20.3
185.09505	2.0
189.09019	10.2
191.07014	2.2
195.10046	1.8
195.13756	5.3
199.07491	3.0
201.09081	1.6
205.12163	2.4
212.08191	1.8
213.09122	1.3
213.12836	1.3
213.14894	5.8
215.10597	5.7
217.08447	1.5
223.07492	1.6
229.12166	2.3
233.11697	47.5
233.14023	1.6
235.72914	1.2
238.09932	1.8
241.09804	1.3
241.12228	7.9
241.19450	2.3
243.10214	1.4
259.13214	5.1
259.20526	6.7
267.13794	6.8
277.21591	49.8
285.14780	17.1
295.22543	16.4
303.15912	22.1
329.17410	22.6
365.19278	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	364.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75072	1.2
51.22165	1.0
51.83670	1.1
52.52841	1.0
53.03923	1.5
53.75793	1.1
55.01867	1.8
55.05505	25.8
57.03424	10.4
57.07071	7.5
67.05491	81.8
67.05854	2.6
69.03415	5.6
69.07053	28.0
70.07397	1.9
71.04977	2.3
71.08611	25.7
79.05473	33.6
81.07037	84.7
82.07360	9.6
83.04953	10.3
83.08603	17.6
85.02881	1.2
85.06529	8.5
87.04450	7.7
91.05463	24.8
93.07019	32.7
95.04974	5.6
95.08583	100.0
96.08920	6.7
97.06516	11.0
97.10144	6.6
99.08062	21.9
101.05974	6.5
105.07014	20.7
107.04929	3.0
107.08572	26.5
108.08903	1.7
109.06531	1.8
109.10140	27.0
110.10487	5.4
111.08074	2.2
113.05994	1.3
113.09698	1.5
115.03894	1.9
117.06973	2.1
119.08525	17.2
121.06517	1.6
121.10118	16.8
123.07967	1.6
123.11695	12.9
125.09615	6.5
127.11160	1.6
128.06206	2.0
129.06969	1.7
131.04878	5.1
131.08539	3.0
133.06500	1.6
133.10126	8.0
135.04408	11.5
135.08035	2.8
135.11674	8.7
137.05948	6.8
137.13174	1.9
141.09114	1.9
143.08531	2.2
143.10640	3.0
145.10271	1.3
147.11681	15.1
149.05957	1.9
149.13229	17.6
152.15184	1.8
153.12811	2.5
159.10172	19.0
159.11539	2.3
161.05963	7.8
163.07526	1.7
163.14691	1.5
165.12691	3.1
167.14276	2.6
171.08028	1.9
171.10162	7.4
174.27945	1.4
177.12724	1.8
183.13780	15.9
189.09047	13.7
189.11067	1.4
207.10135	5.0
211.13364	6.4
229.14259	9.4
229.19350	1.7
233.11806	1.8
241.12164	1.7
265.21545	19.5
292.27155	1.8
293.21069	7.0
302.17178	1.5
303.15430	1.5
309.27719	1.6
310.28220	1.5
311.22086	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	364.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56728	0.5
54.81264	0.7
55.01866	3.6
55.05502	0.8
57.03430	2.6
57.07048	0.6
64.32851	0.7
67.05480	1.5
68.63213	0.6
69.07063	12.3
70.99246	0.6
71.59152	0.6
77.08900	0.6
79.05470	14.1
79.44381	0.6
81.07043	4.4
91.05471	1.5
95.04954	1.3
97.06514	100.0
105.06979	3.0
123.04446	1.3
128.06219	0.9
129.06975	1.0
131.04927	0.9
131.08560	1.4
133.06464	1.4
137.05978	4.1
143.08588	4.9
145.06432	2.8
147.08086	0.9
149.05945	5.3
149.09645	0.8
151.07466	2.4
157.10165	0.8
158.07304	0.7
159.08023	4.4
160.05177	3.2
161.05930	13.5
161.07161	0.8
161.09607	0.9
163.07512	1.4
165.05388	1.1
169.13208	0.8
171.08052	5.1
175.07579	1.2
177.09106	1.4
179.10677	1.5
185.09622	4.5
187.07529	4.4
188.08344	2.9
189.09077	25.8
193.14757	0.7
197.09741	0.8
199.07527	21.1
201.09000	1.6
203.10612	4.7
205.08583	5.9
206.09451	0.9
207.10112	4.5
213.09134	1.3
215.07109	2.4
215.10623	3.1
217.08606	8.4
228.11586	0.8
229.12288	0.7
231.13939	0.8
233.11676	1.0
238.09807	1.0
241.12225	21.4
243.10030	2.9
257.11618	1.3
259.13312	10.8
261.11133	4.6
267.13770	3.1
275.16245	1.1
285.14835	16.0
287.12714	16.2
303.15872	82.6
329.17444	69.1
364.21143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
57.07066	2.8
61.00510	1.0
63.09398	1.1
64.50210	1.0
66.61056	1.2
67.05481	1.3
71.08593	1.4
73.02900	2.5
75.00223	1.1
76.10951	1.1
79.05465	2.0
81.07047	1.4
81.37434	1.2
87.62732	1.1
90.21400	1.1
91.05479	2.6
95.08627	1.9
95.12006	1.2
103.04621	1.0
103.05458	2.2
103.89371	1.0
105.00051	4.9
105.07017	100.0
121.06509	1.3
124.57037	1.3
129.07036	1.6
147.08026	9.5
149.09599	7.2
163.33884	1.1
165.09094	7.5
246.73083	1.4
305.31552	1.6
364.22665	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	364.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.8
53.03949	1.5
53.81336	0.9
53.99109	1.0
55.01863	5.3
55.05503	10.2
57.03419	4.5
65.03922	0.9
67.05492	23.2
69.03397	1.6
69.07054	17.0
71.04969	1.4
71.08611	34.3
79.05473	28.3
80.57482	0.9
81.03398	1.1
81.07038	27.0
83.04961	5.2
83.08598	6.3
85.71156	0.9
89.22366	0.9
91.05463	19.0
92.09301	1.0
93.07021	17.3
95.04935	4.2
95.08582	17.3
97.06510	71.4
99.08067	17.9
103.05398	1.7
105.07008	53.4
107.04919	1.0
107.08575	5.7
109.06506	4.3
109.10128	4.7
111.08049	1.3
117.07008	1.9
118.63522	1.0
119.04948	4.0
119.08550	7.6
121.06499	1.8
121.10162	2.0
122.03611	1.2
123.08089	1.5
124.05205	1.8
129.07002	2.5
131.08537	1.6
133.06462	46.8
133.10077	6.1
135.11688	2.2
137.05956	88.9
145.06451	3.9
145.10146	4.1
147.04391	6.5
149.05959	1.1
149.13248	2.3
151.07550	2.2
151.11151	15.7
156.89186	1.1
159.11592	1.3
161.05998	1.6
161.13208	8.1
163.07523	1.9
163.11136	7.4
165.09076	100.0
171.08095	1.4
171.11700	1.6
173.09598	1.4
175.07492	1.9
177.09085	7.4
179.14273	7.4
185.09581	1.7
189.09050	5.8
191.07065	1.3
195.13770	1.9
197.09578	1.8
199.07501	2.1
200.20067	1.1
201.09105	1.1
203.10553	1.9
205.12234	4.4
212.08234	1.3
215.10690	5.8
233.11696	35.9
238.09811	1.1
241.12276	7.2
243.10150	1.2
259.13235	3.9
259.20444	1.8
267.13809	2.2
277.21527	19.9
285.14835	10.6
295.22546	5.1
301.14612	1.1
303.15872	10.4
311.16382	1.5
329.17368	19.0
347.18192	1.1
364.24969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13068	0.4
53.00289	0.7
53.03931	0.6
53.93461	0.4
55.01867	2.3
55.05507	5.5
56.26354	0.4
57.03408	2.3
57.07058	0.5
67.05149	0.5
67.05492	12.6
68.53722	0.5
69.07053	6.4
69.24490	0.5
71.08609	15.8
75.38833	0.5
79.05473	15.0
79.06902	0.4
81.02836	0.5
81.03377	0.7
81.07040	15.6
83.04963	3.0
83.08599	3.8
91.05471	7.8
92.08697	0.9
93.07014	7.9
95.04942	2.9
95.08575	9.3
97.06504	20.2
97.10166	0.8
99.08068	9.4
103.05448	0.9
104.12309	0.5
105.07012	47.4
107.04948	1.3
107.08565	3.1
109.06490	3.7
109.10139	1.3
111.08086	1.2
113.09588	0.8
117.07002	1.1
119.04913	0.9
119.08582	4.7
121.10123	2.3
122.03671	0.5
123.08073	0.6
124.05209	1.1
131.08499	1.1
133.06464	43.6
133.10106	2.9
135.01976	0.6
135.08089	0.6
135.11613	0.9
137.05952	62.4
139.11150	0.8
145.06471	0.6
145.10107	2.3
147.04405	0.8
147.11589	0.7
149.13281	0.7
150.06679	0.6
151.07500	2.8
151.11174	10.1
161.13228	3.7
163.07487	0.7
163.11154	3.4
165.09073	100.0
177.09122	4.0
177.12822	0.5
179.10663	0.7
179.14243	5.0
189.09006	2.7
191.06921	0.7
195.13789	1.3
205.12189	0.9
211.11221	0.7
213.14832	0.8
215.10811	0.7
223.13293	0.9
233.11652	9.5
241.12119	2.4
245.98477	0.6
259.13287	0.8
259.20575	1.0
267.13678	1.0
277.21582	10.4
285.14795	3.3
295.22644	3.4
301.36493	0.5
303.15887	3.9
304.92444	0.5
311.16251	0.9
329.17496	3.1
347.18277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01856	4.2
55.05505	2.4
57.03431	4.4
66.79697	0.5
67.05480	2.6
69.03407	0.7
69.07053	13.5
71.04963	0.6
71.24340	0.5
77.88300	0.5
79.05475	14.8
81.07039	2.7
83.04955	1.2
91.05452	8.3
95.04938	0.6
97.06508	100.0
117.06983	0.9
119.04907	5.1
129.06984	1.1
131.04877	1.1
131.08533	1.2
133.06433	0.9
135.04420	1.1
137.05954	48.0
140.69370	0.7
141.02747	0.6
141.07014	0.8
143.08583	1.0
145.06485	1.2
147.04385	4.2
148.39493	0.6
149.05965	1.3
155.08447	0.8
157.06441	1.4
157.10146	0.8
159.08037	0.9
161.06009	1.3
163.07574	1.5
165.09035	0.8
167.08635	0.9
169.06425	0.7
169.10107	2.8
171.08002	0.8
173.05925	0.8
173.09552	0.7
181.06450	2.6
183.07988	1.1
185.05934	0.8
185.09561	2.5
186.06653	0.8
187.07489	1.5
189.09052	10.7
192.50287	0.7
195.08017	1.3
197.09497	1.1
199.07576	3.8
199.11276	0.8
200.08305	0.7
201.09018	2.2
203.10663	0.6
205.12216	1.3
210.10365	2.9
211.11217	3.1
213.09108	2.9
215.10606	8.6
223.07480	3.2
225.09055	0.9
227.10655	1.0
228.11414	1.3
229.12236	3.8
233.11678	63.5
238.09775	5.4
239.14221	1.3
241.12134	5.4
243.10123	3.1
257.15280	1.2
261.11487	0.7
267.13730	11.8
285.14783	28.6
285.17792	1.2
301.17761	1.0
303.15839	4.0
311.16290	2.4
329.17319	9.7
347.18420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52864	0.2
53.95709	0.3
55.01868	1.3
55.05502	0.4
57.03442	0.4
59.24508	0.2
62.21233	0.3
67.05492	0.7
69.07066	1.6
79.05476	4.8
81.07026	1.7
91.05470	1.9
94.04141	0.4
95.04954	0.6
95.08583	0.4
97.06509	4.8
103.05454	2.2
103.38648	0.3
105.07015	50.0
107.04926	0.7
109.06498	2.7
109.34011	0.4
111.04437	0.5
117.07056	0.3
119.08545	0.3
121.06438	0.5
122.03608	0.7
124.05191	1.7
129.88971	0.3
131.04890	0.5
133.05446	0.8
133.06473	49.3
137.05959	68.6
138.06284	0.3
145.06441	0.7
145.10172	0.4
147.08022	0.3
149.05923	0.4
150.06734	1.3
151.07516	1.3
163.07547	0.6
165.09082	100.0
177.09073	1.2
179.10709	0.6
189.08975	0.5
196.45531	0.3
201.08937	0.4
205.12086	0.4
233.11642	3.1
237.09090	0.4
241.12167	0.6
264.13168	0.3
267.13715	0.4
269.11517	0.5
285.14996	0.5
301.14386	0.4
303.15903	0.5
329.17389	1.3
331.07425	0.3
347.18311	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	364.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
56.96551	4.1
69.03423	0.8
79.05482	1.3
81.07047	1.2
83.27625	0.7
85.88419	0.7
91.05463	15.5
93.07022	1.8
95.04953	4.9
98.97575	3.6
103.05437	3.5
105.07026	1.6
107.04943	4.7
107.08617	1.1
109.06489	1.8
116.98547	2.6
117.06923	0.7
119.04916	12.2
121.06474	13.0
122.03628	4.5
123.04380	11.4
129.06987	14.6
129.18826	0.7
131.04927	4.1
135.03452	0.9
135.04428	4.6
136.05255	0.8
137.05957	100.0
143.05473	0.9
147.04385	8.9
147.08006	7.3
149.01193	1.6
149.05962	22.8
149.09599	3.9
150.06761	4.3
151.03862	1.9
151.07523	47.1
152.05965	1.3
155.08600	0.9
157.06439	10.8
160.05203	1.3
161.05946	5.0
163.07536	3.1
165.06891	7.3
167.08554	4.4
175.07515	28.2
178.07735	3.0
179.03786	0.7
179.08578	1.1
180.07259	1.2
181.06485	0.8
183.08113	1.7
189.09142	1.2
193.06503	6.7
193.08479	1.6
193.10146	5.0
195.08000	9.9
197.05952	3.2
197.09769	0.9
198.06818	0.9
203.08540	1.5
210.06805	5.3
211.07559	9.7
213.08997	6.2
221.06035	9.0
221.09769	7.1
223.07495	3.6
224.04253	0.8
224.08250	0.9
225.05380	0.8
225.09009	8.3
227.07016	1.0
227.10648	1.5
237.07988	5.0
238.06221	3.1
239.06975	11.7
239.10655	1.1
241.08595	6.9
249.09085	3.2
252.09467	1.0
253.08578	13.0
253.12233	9.0
255.06453	1.2
255.10255	1.0
256.07300	1.0
258.08798	4.8
263.09552	1.7
265.07465	1.0
267.10028	1.3
270.08768	1.6
271.09601	27.1
273.11099	13.0
281.11124	1.8
285.10062	1.1
299.12701	25.0
302.17432	1.0
317.13773	64.5
323.11566	2.8
341.12640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.7
55.01852	4.6
57.03429	7.1
61.02919	13.7
67.44661	0.7
69.03069	1.2
69.03414	24.1
71.04964	4.1
73.02898	5.7
78.12617	0.7
79.05476	34.8
81.03397	12.0
83.04984	0.8
83.06070	1.1
85.02890	100.0
87.04440	3.1
91.03927	4.3
91.05453	6.1
93.07004	0.8
95.04956	7.1
97.02863	23.1
98.97533	1.7
99.04442	6.6
105.04501	0.8
107.04942	54.6
109.02866	8.6
110.07171	1.0
111.04424	1.5
116.98599	1.6
119.04926	3.2
121.06483	19.2
123.04373	2.9
125.05973	3.7
127.03902	14.9
128.98509	0.7
131.04892	1.1
135.04396	49.3
137.05972	3.8
139.07526	1.4
145.04932	21.6
147.04390	1.2
149.05965	22.1
151.07515	5.2
152.04578	0.7
152.05705	1.7
163.06050	2.7
163.07486	1.6
164.10655	1.5
167.07002	81.5
171.68987	0.9
180.83275	0.8
185.08009	0.7
191.06984	0.8
202.06245	1.1
202.10638	1.3
216.11267	3.8
217.11591	3.1
304.16074	1.0
311.11078	1.0
328.16125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.05503	1.9
57.03420	1.9
57.81493	1.2
59.67042	1.3
62.31366	1.2
63.98008	1.2
66.25091	1.6
67.05481	2.3
67.58827	1.1
69.07049	5.6
69.09312	1.2
70.06530	1.2
70.74646	1.2
74.23608	1.5
79.05468	7.3
81.07043	2.7
88.25928	1.5
89.95038	1.5
91.05447	7.3
93.07011	2.6
95.04951	3.2
97.06500	23.3
103.05451	5.7
105.06362	2.5
105.07011	40.4
107.04977	1.8
109.06463	2.5
111.04443	1.7
117.06957	2.9
121.06467	3.2
121.10115	1.4
125.05937	1.6
131.08525	2.0
133.06479	39.8
135.04333	3.6
137.05954	73.3
138.06267	2.2
141.06985	2.6
145.06528	1.8
149.05936	18.7
153.05420	3.0
161.05910	2.9
162.06735	2.9
163.07512	16.0
165.05463	3.6
165.09085	54.3
169.06447	7.8
175.07480	2.0
177.05418	82.7
178.81914	1.6
189.09036	7.9
191.06985	2.9
195.06508	8.1
205.08574	100.0
215.10654	2.2
233.11705	17.8
241.12170	7.5
259.13281	1.8
267.13837	1.9
285.14679	2.5
293.98111	1.7
303.15875	6.6
329.13770	58.4
329.17548	3.8
336.63684	1.7
351.53552	1.4
355.03607	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07855	0.5
53.03934	1.4
55.01863	2.4
55.93557	0.5
56.96571	0.7
57.03424	3.4
61.02919	5.6
67.05513	0.6
69.03419	12.4
70.06561	1.3
71.06196	0.5
73.02894	1.3
79.05443	0.7
80.36321	0.7
81.03409	6.6
83.04957	0.8
84.04494	1.4
85.02895	31.8
87.26373	0.6
91.03919	0.8
91.05453	6.7
93.07027	12.5
95.04951	1.4
96.04451	0.9
97.02882	9.3
98.97511	0.9
99.04430	1.2
103.03932	0.5
103.05451	12.1
107.04945	88.9
109.02858	4.1
111.16518	0.6
114.05476	0.7
115.09497	0.7
119.04914	2.3
121.06490	65.4
123.04381	2.5
127.03053	1.1
127.03894	11.0
130.06516	1.1
131.04909	4.5
133.06479	1.5
137.06004	2.7
138.05484	3.9
139.03896	0.8
145.04910	5.1
147.04405	0.9
149.05968	100.0
152.05670	7.9
157.06442	0.8
161.05920	1.1
167.03368	3.2
167.06999	7.5
179.06987	0.8
184.09648	0.7
185.04309	0.9
203.07001	1.2
205.89505	0.7
238.09740	0.6
245.08099	0.7
250.86053	0.7
281.10129	8.1
293.10010	1.1
307.08878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71410	0.2
53.03930	0.6
54.81395	0.2
55.01858	1.3
55.92595	0.2
56.96549	0.4
57.03429	1.2
57.33403	0.2
58.53150	0.3
61.02911	2.5
63.98566	0.3
69.03423	4.1
70.06557	0.3
71.04978	0.3
72.08121	0.2
73.02888	1.0
75.36059	0.2
76.55847	0.3
79.05479	6.7
81.03410	2.3
83.72532	0.3
84.04471	0.3
85.02889	12.7
87.04402	0.3
89.16391	0.3
91.03937	0.5
91.05459	2.1
93.07030	3.2
93.74012	0.3
95.04926	1.6
97.02879	4.5
98.97596	0.4
99.04434	0.4
103.05443	4.8
107.04939	100.0
109.02872	1.1
119.04916	0.4
121.05603	0.7
121.06481	20.7
123.04421	0.4
125.05988	0.4
127.03848	2.2
131.04875	0.4
133.06503	0.5
135.04378	8.0
136.06174	1.0
137.05920	0.5
138.05507	0.3
145.04951	1.7
149.05960	39.4
149.44206	0.3
152.05650	5.8
153.04051	0.4
167.06995	20.6
349.49323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59948	0.6
53.00299	1.1
53.03937	1.0
55.01865	3.9
55.05507	64.1
57.03433	17.3
57.07067	10.4
59.04980	0.7
61.99688	0.5
65.03935	1.0
67.05494	66.4
69.03422	0.9
69.07056	84.3
70.06578	0.6
70.30047	0.7
71.04973	7.8
71.08609	3.4
73.06536	0.8
73.27210	0.6
75.04470	1.0
79.05476	23.4
81.03381	0.8
81.07041	83.1
83.04972	3.8
83.08606	47.1
85.06538	7.2
91.05462	18.2
92.08701	1.3
93.07023	36.6
95.04942	2.7
95.08588	77.6
96.08936	1.3
97.06506	11.5
97.10149	30.3
97.10755	1.3
99.08068	2.6
105.07020	17.7
107.08588	20.2
109.06464	2.2
109.09394	1.0
109.10146	32.6
111.08073	4.5
111.11729	7.9
113.09646	1.0
115.07560	0.7
117.07046	0.6
119.08572	18.0
121.10130	21.2
123.08054	3.8
123.11675	10.6
125.09612	3.3
125.13256	0.7
127.07505	0.9
131.08582	1.0
133.10103	18.7
135.04318	1.2
135.08080	1.0
135.11676	23.2
137.09561	5.3
137.13248	4.4
139.11195	2.7
145.10109	0.7
147.11670	11.6
149.13213	4.9
151.11154	3.5
151.14806	3.3
153.12758	4.1
161.13235	9.7
165.12683	1.6
175.14841	3.6
179.14278	1.2
189.09090	0.7
189.16434	0.8
193.15898	0.9
195.39088	0.8
217.19504	10.6
233.11713	0.8
235.20488	11.4
236.56560	0.6
253.21419	4.7
309.24216	6.7
310.20981	0.7
321.34491	0.6
327.25247	100.0
328.22324	0.8
328.25827	0.9
345.26294	49.0
363.17694	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	363.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
54.81550	1.1
55.05507	18.3
55.34079	0.9
57.03411	1.6
57.07063	10.1
58.63407	1.0
67.05493	42.3
67.93894	1.1
69.07056	30.2
70.40468	1.0
71.04971	1.6
71.08611	2.9
72.28346	1.1
79.05480	17.0
81.07040	100.0
83.04975	5.2
83.08607	18.0
85.06535	9.1
91.05447	7.9
93.07029	27.5
95.04953	2.9
95.08587	92.9
97.06516	2.2
97.10151	9.3
99.08067	4.8
99.79427	1.1
100.14416	1.3
101.06018	1.8
103.05447	1.8
105.07018	6.4
107.08569	22.9
109.06475	1.4
109.10149	49.8
111.08070	1.6
111.11700	4.5
114.66026	1.1
119.04911	1.3
119.08550	5.2
121.10117	12.7
123.11686	28.7
127.11097	1.3
131.04814	1.4
133.10121	2.3
133.11078	1.3
135.04393	7.1
135.11690	15.4
137.05963	2.5
137.13249	8.0
147.11652	1.3
149.13255	11.8
151.14812	7.4
161.05957	1.9
163.07497	1.5
163.14761	8.8
165.16396	1.3
179.06966	2.2
189.09111	1.6
191.17928	1.9
195.13669	1.2
261.25845	1.6
273.25748	2.6
291.26794	5.5
297.27829	6.9
309.27744	11.9
327.28925	2.3
363.17532	1.4
363.22446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58937	15.3
69.07056	24.2
73.64247	15.1
75.31799	13.2
78.51023	14.8
79.05467	16.4
81.07044	23.8
90.18505	15.0
233.73692	15.9
363.19565	37.1
363.25137	100.0
381.19534	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	363.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47726	0.6
53.00274	0.8
53.03947	1.6
55.01857	0.7
55.05508	53.8
57.03436	9.7
57.06854	0.6
57.07072	10.6
64.56927	0.7
65.03919	1.3
67.05496	47.8
69.03418	0.9
69.07058	74.9
70.86749	0.7
71.05004	6.5
71.05322	0.7
71.08614	3.4
79.05478	22.8
81.07042	67.1
83.04967	4.2
83.08604	42.1
85.06539	3.7
91.05461	21.4
92.09360	1.5
93.07024	28.8
95.04941	3.4
95.08588	70.5
97.06514	10.6
97.10152	31.5
99.08082	3.5
100.59387	0.8
101.06003	1.1
105.07024	13.9
107.04938	5.8
107.08591	19.1
109.06529	3.6
109.10147	28.3
111.08099	4.0
111.11693	8.0
117.07040	0.9
119.04921	3.2
119.08570	17.4
121.02840	4.4
121.10126	21.2
123.08038	3.6
123.11676	8.1
125.09590	3.2
125.13199	1.4
131.04918	3.5
133.10118	19.3
135.04399	4.8
135.11681	23.8
137.05975	1.2
137.09599	3.4
137.13275	4.6
139.11151	4.5
145.02829	1.1
147.04390	1.6
147.11684	15.0
149.13272	4.0
151.11172	3.8
151.14821	1.4
153.12784	3.4
159.07980	1.0
161.13261	9.2
165.09055	0.9
165.12753	2.0
175.14798	5.1
179.14377	2.6
189.05510	1.2
193.15761	1.0
217.19498	13.4
229.52390	0.9
234.36975	0.9
235.20515	13.1
245.04454	4.0
253.21512	6.5
276.38422	0.9
309.24271	4.7
327.25241	100.0
328.25665	1.0
345.26407	7.4
352.81836	1.0
363.08578	58.4
363.17734	6.7
364.08780	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	363.1798
Annotation	Thyrotropin-releasing hormone
Peak:m/z	Relative Intensity
55.01862	0.4
55.05491	0.2
69.03424	0.4
79.05043	0.3
79.05466	1.6
79.37196	0.3
81.07047	0.7
83.04952	0.3
85.02879	0.4
90.43700	0.3
91.05456	3.6
93.06962	0.3
94.04151	3.2
95.04945	0.4
103.05444	8.4
105.07013	4.9
107.04948	0.7
109.06509	0.6
109.23940	0.3
109.46967	0.3
115.05375	1.0
117.06982	1.5
119.04906	0.6
121.06461	1.6
122.03609	10.6
123.04394	0.6
124.77898	0.3
128.06194	1.6
128.07028	0.3
129.06963	1.6
131.04906	9.8
133.06468	10.8
135.08008	5.8
137.05954	100.0
138.06329	2.0
139.12355	0.3
140.58946	0.3
143.04842	0.4
143.08525	1.7
145.06502	2.9
151.07520	4.7
157.06448	1.6
159.08018	0.4
160.05125	0.5
161.01137	0.3
163.07507	18.3
164.63902	0.3
171.08009	1.6
174.06786	1.4
175.07486	2.3
176.07820	0.5
177.09061	2.0
179.30714	0.3
187.07474	0.5
188.08308	1.3
189.09070	2.2
190.09424	0.4
203.10645	1.8
226.43970	0.3
235.11185	1.3
245.09692	0.4
263.10742	0.5
295.13086	2.4
327.15802	1.5
334.24365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.18
Annotation	Laxiflorin K
Peak:m/z	Relative Intensity
55.01872	0.2
65.17133	0.2
79.05454	1.0
91.05474	2.5
93.07018	1.1
94.04145	0.9
95.04964	0.3
103.04753	0.4
103.05446	10.6
105.07021	0.5
107.04910	0.5
107.08595	0.3
109.06492	0.3
115.05425	1.4
117.06996	4.6
119.04931	1.2
119.08575	0.2
121.06467	1.5
122.03623	2.7
123.08080	1.9
127.69985	0.2
128.06194	0.9
129.06972	0.3
131.04906	20.2
132.05618	0.2
133.06458	0.4
134.07263	1.0
135.08026	0.8
137.05957	31.4
138.06262	1.5
143.08517	1.4
145.06458	1.3
147.08008	0.9
147.37894	0.3
149.05965	0.4
149.09595	0.3
151.07532	9.0
157.06479	0.2
160.05219	0.3
161.05919	0.4
162.06729	4.3
163.07516	24.8
164.08093	0.5
165.08652	0.3
171.08057	0.9
175.07515	3.1
177.09079	100.0
178.09361	0.4
179.07004	0.2
195.10162	3.3
203.10638	0.5
207.10048	0.3
208.10802	1.1
209.11348	0.5
219.74422	0.2
221.11687	4.6
352.38272	0.2
384.19852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.2
55.05490	0.4
60.79902	0.1
65.03947	0.2
66.04702	0.8
67.05486	1.1
69.07054	0.3
71.83175	0.1
72.35189	0.1
79.05486	1.3
79.42765	0.2
81.07034	1.3
84.94681	0.2
85.06493	0.2
91.05456	2.3
93.07005	0.4
94.04163	2.8
94.46994	0.2
95.04920	0.3
95.08582	0.8
97.06503	0.2
103.05454	0.3
105.07010	0.7
107.04958	0.4
107.08553	0.3
109.06519	0.2
109.10139	0.2
119.04910	1.1
119.08569	0.3
122.03624	6.9
123.04462	0.2
131.04958	1.1
135.04388	0.7
135.07941	0.2
137.05960	100.0
138.06265	2.9
149.05960	0.2
151.07523	0.3
161.05980	0.2
163.07552	1.0
181.08615	1.3
182.09497	0.2
210.23456	0.2
289.09299	0.2
292.19562	0.2
362.26816	0.3
363.22028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
56.05030	8.6
57.07061	10.0
58.06588	13.8
59.81752	0.5
60.04508	3.6
67.05486	1.2
68.05003	0.7
69.03405	1.3
69.07048	1.1
70.06567	1.1
71.08227	0.5
71.08611	4.9
72.08123	4.5
73.64073	0.7
74.06060	8.7
75.79064	0.6
81.07014	1.2
83.04957	0.9
83.08576	0.9
85.10168	1.5
86.06034	6.8
88.07610	70.0
90.16434	0.6
93.07028	1.2
95.08582	0.8
100.07584	3.9
102.09142	0.8
102.24875	0.7
104.07076	6.6
118.08649	1.3
119.08580	0.7
132.10178	20.4
162.11212	4.7
166.10739	4.4
180.64554	0.7
270.27853	46.1
295.22549	1.1
314.30484	15.4
344.31494	1.4
362.32562	100.0
363.21292	0.8
365.00644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0861
Annotation	5-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-2-sulfonic acid
Peak:m/z	Relative Intensity
50.58714	0.3
51.67727	0.2
53.03920	0.3
54.81478	0.3
55.05262	0.4
55.05504	5.9
57.03421	1.3
59.94751	0.3
67.05490	5.5
68.99772	0.7
69.07053	6.5
70.06554	0.4
72.20329	0.3
73.15199	0.3
79.05470	2.7
81.07039	7.7
82.25490	0.3
83.04926	0.3
83.08598	3.4
85.06505	0.3
85.10135	0.3
91.05463	4.1
91.93261	0.3
93.07013	3.4
95.04961	0.6
95.08585	7.7
97.06506	1.8
97.10166	3.6
99.08038	0.4
105.07035	2.3
107.04946	7.7
107.08579	2.3
109.06515	0.4
109.10125	3.0
111.04386	0.4
111.11736	1.1
117.06937	0.3
119.04911	5.3
119.08579	2.1
121.02842	7.2
121.06503	0.4
121.10114	2.3
123.07992	0.3
123.11682	0.5
131.04881	3.7
133.06422	0.4
133.10106	1.5
135.04401	1.6
135.11678	1.8
137.05878	0.4
137.09662	0.3
143.04918	0.3
145.02837	2.9
145.06508	0.5
147.04349	2.8
147.11647	1.3
149.05968	0.6
149.13283	0.4
159.04434	0.5
161.13208	0.6
163.02486	0.3
163.03894	1.6
166.62849	0.3
169.35608	0.3
171.04359	1.8
173.05968	0.5
175.03920	0.6
189.05597	0.4
199.03893	0.5
201.05493	0.4
203.03345	0.6
217.19505	2.0
221.04346	0.6
235.20529	1.2
236.74986	0.3
245.04388	6.7
265.08231	0.3
288.08688	0.3
309.24268	0.4
319.09818	0.5
321.07510	1.3
327.25262	9.2
335.08984	1.3
345.07764	0.4
345.26270	0.7
363.08563	100.0
363.17633	2.8
364.08984	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	362.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83017	0.4
54.45661	0.4
54.81371	0.6
56.14835	0.4
57.07066	13.0
58.06325	0.4
58.06581	4.3
58.25067	0.5
58.29273	0.4
67.24549	0.4
68.05025	0.6
70.06576	37.4
71.08619	3.8
72.08134	3.7
72.74837	0.5
73.01512	0.5
83.60419	0.4
84.08135	3.8
85.10159	1.2
86.09689	6.5
88.07616	9.3
102.09155	5.4
114.09184	0.9
115.08046	0.6
132.10175	12.7
146.11729	12.1
212.23686	4.7
238.25287	2.0
256.26288	16.9
300.28915	68.0
344.31436	1.0
358.61505	0.6
362.32562	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	362.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.5
55.57465	0.5
56.96552	2.6
57.07065	12.3
65.03912	0.6
67.05493	19.4
69.03412	0.8
69.07045	3.0
70.06205	0.8
70.06577	20.0
71.04979	41.0
71.08622	9.2
72.08138	0.7
79.05475	4.8
79.05846	0.5
81.03403	0.6
81.07040	14.9
83.04948	0.7
83.08599	4.3
84.08118	2.5
85.06534	0.7
85.10183	0.7
86.09685	0.8
88.07616	20.1
91.05468	2.6
93.07034	8.6
95.08585	5.8
96.08147	0.7
97.06514	1.0
97.10155	6.5
99.08066	1.4
101.85931	0.6
102.09158	2.5
103.29102	0.6
105.07006	2.5
107.08578	3.9
109.10120	7.1
111.08047	0.8
114.09153	14.0
115.01387	0.6
117.06966	1.1
118.08627	2.4
119.08536	1.5
121.10095	1.2
122.31592	0.6
125.09611	3.5
132.10182	39.3
133.10132	2.2
135.11681	4.9
149.13245	1.5
151.11145	2.4
155.10724	0.6
155.14279	7.2
159.11678	1.4
173.11728	8.2
173.37962	0.6
176.12819	5.0
177.12726	1.5
189.11203	5.0
194.13852	8.7
195.13786	3.0
209.15260	1.0
213.07817	1.0
213.14864	1.2
227.16377	10.8
231.08992	2.6
242.24712	2.4
256.26270	8.9
274.27313	4.2
277.21579	4.1
300.28979	2.2
318.29868	3.4
320.75446	0.7
321.13785	2.5
339.14777	4.6
362.32581	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	362.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.9
53.03934	1.0
55.01858	1.8
55.05509	17.8
56.02652	0.9
57.03407	1.1
57.07076	8.2
59.38631	0.9
61.22148	1.1
65.03910	1.4
67.05140	1.9
67.05487	36.0
68.79842	1.0
69.03386	1.1
69.07052	8.2
70.06569	16.6
71.04974	100.0
71.08607	15.3
72.81401	1.0
79.05474	18.0
81.03400	1.3
81.07035	42.5
81.71974	1.0
83.04951	1.8
83.08594	12.9
85.06535	1.5
85.86611	1.0
86.09698	1.3
88.07611	11.7
91.05453	9.1
92.08792	1.5
93.07024	20.8
95.04932	1.6
95.08576	18.1
97.06492	2.4
97.10146	18.0
99.08052	7.5
105.07005	9.8
107.04900	1.7
107.07910	1.4
107.08563	13.2
109.06491	1.6
109.10146	13.2
111.04385	1.5
111.08031	1.3
114.09132	9.1
117.06984	2.5
119.08545	4.5
121.10118	3.9
123.11676	1.4
125.05983	2.6
125.09592	9.4
131.08519	4.9
132.10185	23.2
133.06474	1.6
133.10101	5.3
135.04399	5.3
135.08034	1.4
135.11659	11.9
137.05943	29.4
143.08488	1.5
149.13231	5.2
151.03870	4.7
151.07576	5.5
151.11136	7.6
153.05470	1.6
155.10629	1.3
155.14243	8.7
156.17773	1.2
159.11671	6.5
161.13203	1.9
163.07541	1.2
163.11188	2.4
165.09125	2.3
171.08008	1.4
173.11731	6.3
176.12846	1.3
177.12735	5.1
179.14285	1.7
189.11206	7.1
194.13846	5.8
195.13847	10.0
203.10693	2.0
209.15361	4.0
221.11644	3.9
227.16348	32.0
256.26413	5.0
268.05118	1.3
274.27197	1.4
277.21576	13.6
345.17245	1.2
362.32568	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05240	0.8
55.05503	29.9
57.03424	8.7
57.07064	13.7
67.05491	55.2
69.07052	48.3
71.04939	1.4
71.08603	3.8
72.52369	0.8
79.05474	9.6
80.61810	0.9
81.07037	58.3
83.08123	1.2
83.08601	27.2
85.06512	2.0
85.10160	1.5
88.07590	5.2
91.05471	6.1
92.08678	3.2
93.07024	10.3
94.32101	0.9
95.08585	77.6
97.06502	3.8
97.10142	18.1
98.13048	0.8
105.07022	4.1
107.08576	8.1
109.10139	26.5
111.08038	0.9
111.11720	6.5
113.09580	1.6
115.16628	0.9
117.83701	0.8
119.08543	7.4
121.06419	1.3
121.10106	7.2
123.11668	6.2
125.09605	1.1
125.13193	0.9
133.10085	5.2
135.11693	7.9
135.12538	0.9
137.13199	1.7
139.11159	0.9
143.94139	1.1
147.11641	4.5
149.13228	1.6
151.11163	1.1
153.12759	2.0
161.13229	3.2
165.12755	1.1
175.14810	1.8
211.75165	0.8
212.41957	0.9
217.19502	6.2
235.20486	5.2
237.99327	0.8
260.15192	0.9
270.27875	1.4
287.74493	0.9
311.39267	1.0
327.25226	100.0
362.20203	1.8
362.32596	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	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08600	0.6
50.98888	0.6
53.03948	0.7
53.84594	0.6
54.52030	0.6
55.05506	12.6
56.05028	0.7
56.12550	1.0
56.96559	1.0
57.07074	10.2
59.04992	1.0
67.05148	1.0
67.05492	25.2
68.13811	0.7
69.03399	0.8
69.07048	4.1
70.06578	21.5
71.04977	69.7
71.08613	12.4
74.72220	0.7
75.50607	0.7
79.05474	8.6
81.06599	1.3
81.07038	26.9
83.04977	1.7
83.08629	8.1
84.08129	1.4
85.06537	1.7
86.09647	0.7
88.07611	18.1
91.05460	6.1
93.07030	13.4
95.04951	1.2
95.08588	11.8
97.06516	3.2
97.10143	9.1
99.08074	4.6
101.26316	0.7
102.09167	3.0
105.07021	4.4
106.08602	1.1
107.08583	7.0
108.16140	0.8
109.10119	6.8
111.07986	0.8
114.09155	10.0
117.07034	1.6
119.08569	3.8
123.11655	0.8
125.09608	6.1
125.87107	0.7
131.08548	1.8
132.10185	35.2
133.10101	5.3
135.08052	1.4
135.11659	6.6
149.13266	3.4
151.11189	3.4
155.14227	6.2
159.11671	4.7
161.13280	0.8
163.11183	1.5
173.11687	8.7
176.12793	4.3
177.12709	4.9
179.14304	1.6
189.11218	5.7
194.13814	6.4
195.13786	7.1
198.75226	0.8
209.15346	1.7
213.08000	1.1
226.00096	0.8
227.16362	27.4
231.08949	1.8
242.24753	1.5
256.26318	6.1
274.27368	3.5
277.21500	7.7
318.30002	1.8
339.14761	5.2
350.59430	0.7
362.32571	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	362.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.4
55.01851	2.7
55.05506	14.8
57.03418	6.6
65.67665	1.2
67.05486	33.3
69.03419	1.7
69.07053	11.2
71.04970	3.2
71.08605	6.6
79.05470	22.7
81.03402	36.9
81.07037	29.4
83.04945	10.7
83.08589	9.9
85.02900	12.3
91.05458	15.5
93.07021	19.8
95.04923	9.8
95.08587	100.0
97.06514	14.0
98.53644	1.4
99.08046	6.4
103.05428	1.5
105.07009	11.2
107.04939	10.5
107.08589	12.8
109.06477	2.4
109.10124	7.3
111.08050	1.4
117.06955	6.6
119.08539	8.7
121.06475	14.6
121.10110	7.6
123.08021	10.7
131.04909	1.5
131.08534	3.6
133.10089	6.5
135.11647	9.1
137.05902	5.1
141.09038	5.5
145.10129	12.9
147.11681	1.8
159.10150	16.6
163.11086	11.2
166.12265	1.9
173.14890	1.8
177.09132	2.6
178.09364	2.4
181.12202	55.4
189.86955	1.7
199.13269	11.8
199.79372	1.6
217.07869	1.8
227.12770	28.2
234.33450	1.6
263.20047	6.7
281.07797	1.5
281.21008	7.8
309.20557	11.5
315.81839	1.3
327.12134	1.9
327.21570	34.1
350.16306	1.7
362.26767	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	362.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.3
53.03928	2.3
55.01867	7.0
55.05510	26.9
56.20671	1.3
57.03424	16.6
57.07070	1.8
65.03946	2.0
67.05492	97.0
69.03412	9.8
69.07055	58.9
69.07407	2.8
70.06576	2.7
70.30733	1.3
71.04971	9.4
71.05322	1.4
73.02895	1.6
79.05475	69.8
81.03389	9.1
81.07039	100.0
83.04969	12.7
83.08629	11.2
85.02873	1.5
85.06541	6.1
87.04449	11.1
91.05460	45.4
91.06014	2.5
92.08669	2.0
93.07024	49.1
95.04942	16.6
95.08586	93.0
97.06512	25.1
97.10142	7.9
99.08069	10.9
101.05973	5.1
104.86089	1.5
105.07015	40.2
107.04939	9.5
107.08578	56.1
109.06516	9.7
109.10143	20.6
111.08074	7.2
115.03910	5.6
115.07584	3.4
117.06994	9.9
119.04910	1.7
119.08552	27.1
121.06433	2.6
121.10122	24.5
123.04430	1.4
123.08048	9.3
123.11703	6.1
125.05901	1.3
125.09591	8.0
129.07008	5.5
131.08572	11.3
133.06436	2.1
133.10112	15.5
135.04346	2.1
135.08011	2.4
135.11688	7.7
137.05960	7.5
137.09596	5.2
141.09138	3.0
143.08543	3.3
145.07553	1.6
145.10118	9.8
147.11693	20.5
149.06012	1.9
149.09642	2.4
149.13235	7.4
151.11197	2.7
157.10117	7.0
159.10150	14.4
159.11621	6.3
161.09636	2.1
165.12695	2.2
169.10190	1.9
171.10147	9.8
171.11623	3.2
173.13226	1.9
175.11180	6.2
177.12781	1.9
183.13776	15.0
185.13255	2.1
187.14793	1.5
189.11017	2.3
195.13789	3.3
211.13297	11.9
223.13210	1.5
227.18045	2.9
229.14307	9.7
245.18941	7.7
251.16481	2.0
263.20004	46.8
265.18036	1.8
273.18420	1.5
288.19623	2.0
291.19415	20.9
308.97952	1.6
309.20505	27.4
318.24298	7.6
362.26779	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	362.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.1
55.05508	39.2
57.03439	7.1
66.27939	3.3
67.05495	87.5
68.12521	3.0
69.03396	3.1
69.06712	6.1
69.07054	100.0
69.07408	5.8
71.04955	15.5
72.57398	3.2
79.05478	64.3
81.03396	15.9
81.07041	86.9
83.04962	23.6
83.08591	13.1
87.04448	14.1
91.05466	46.1
92.09256	3.6
93.07027	80.6
95.04948	31.6
95.08588	57.1
96.04451	8.3
97.06494	28.9
97.10170	3.7
99.08065	4.1
105.07019	39.5
107.04932	6.1
107.08575	52.3
109.10152	17.9
117.06984	17.5
119.08578	36.3
121.06507	6.0
121.10118	44.8
123.08058	6.0
125.09675	3.1
131.08557	7.8
133.10066	25.0
135.08047	4.8
135.11649	32.9
137.09602	6.0
139.11183	19.6
140.07062	33.1
145.10127	31.2
147.11620	7.5
149.09619	22.2
151.11143	4.2
154.08643	14.4
161.13312	4.7
163.11145	26.5
164.73187	3.3
181.12210	24.6
185.11714	3.7
195.13780	3.6
199.13251	29.4
227.12764	33.3
245.13802	16.1
251.31793	3.5
257.18909	6.6
275.20053	50.3
293.21072	15.7
316.37891	3.8
344.25861	4.8
362.26825	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	362.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53287	0.1
53.00298	0.2
53.03920	0.2
55.01857	0.4
55.05503	1.7
55.89819	0.1
56.96541	0.2
57.03418	0.3
57.07051	1.0
59.04988	0.2
65.03924	3.7
66.04691	0.2
67.05499	2.8
69.07045	1.1
70.06581	2.3
71.04608	0.3
71.04976	6.2
71.08595	1.3
79.05479	2.8
81.07050	3.1
83.04947	0.2
83.08595	1.1
88.07617	2.2
91.05469	5.0
92.08613	0.3
93.03394	4.1
93.07019	1.8
94.04171	1.3
95.04946	1.6
95.08578	1.4
97.06487	0.5
97.10159	1.3
99.08067	0.4
100.35612	0.2
102.09168	0.3
103.05428	2.2
105.04511	0.2
105.07018	12.5
107.04950	3.7
107.08585	0.2
109.06503	1.3
109.10127	0.9
110.03628	0.9
111.04429	13.0
111.08076	0.2
114.09172	1.5
115.05426	0.4
117.07005	0.9
119.04893	3.9
119.08555	0.3
121.06484	1.1
121.10150	0.2
122.03621	5.1
124.05197	0.3
125.05975	12.2
125.09633	0.7
128.06210	1.6
129.07018	0.3
131.04893	1.1
131.08543	1.4
132.10191	4.6
133.06471	11.2
133.10088	0.4
135.04372	0.3
135.08008	1.3
135.11690	0.9
136.05118	0.3
137.05960	100.0
138.06261	0.2
141.05426	0.8
143.08551	5.2
145.06483	2.6
145.10106	0.3
147.04369	1.0
148.05154	0.5
149.06003	0.5
149.13269	0.2
150.06625	0.2
151.03896	22.4
151.04977	1.5
151.07518	17.1
151.11119	0.3
153.05449	15.6
155.14293	1.1
159.07951	1.9
161.09561	0.2
162.06784	1.7
163.07547	2.0
165.09082	14.6
171.08006	6.7
172.08835	0.4
173.05945	0.3
173.11729	1.1
174.06818	0.2
175.07497	0.3
175.11078	0.2
175.60977	0.2
176.12802	0.8
177.09105	1.4
179.07014	0.2
181.08565	3.3
188.08287	5.9
189.11209	0.8
191.10657	1.2
194.13864	1.0
195.13757	0.3
203.10654	14.5
221.11708	19.6
227.16376	1.9
235.11176	0.3
242.24847	0.3
256.26328	0.5
277.21698	0.9
295.13257	0.8
296.93930	0.2
300.29239	0.3
318.29803	0.3
327.15863	4.0
345.16959	5.2
362.32602	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07917	0.3
53.03930	1.3
55.01857	2.0
57.03421	2.5
59.04973	0.3
61.02918	4.5
69.03075	0.5
69.03417	8.6
70.06558	0.4
71.04966	0.7
73.02892	2.0
76.92318	0.3
79.05473	2.2
81.03410	5.2
81.07045	0.7
83.01305	0.3
85.02892	29.0
86.09723	0.3
87.04431	0.5
91.03931	1.7
91.05470	0.6
92.09272	0.3
92.47142	0.3
95.04942	0.4
97.02872	10.0
99.04433	1.5
101.02351	0.4
103.05444	1.9
105.07013	30.7
107.04903	0.3
109.02874	4.6
109.06502	1.7
115.05453	0.4
119.08581	0.4
124.05185	1.6
127.03877	4.9
131.04886	0.5
133.06470	34.8
137.05960	44.5
145.04941	4.1
145.06039	0.3
145.06493	0.4
151.07501	0.6
163.88872	0.3
165.09082	100.0
177.09128	0.5
180.08597	1.8
183.10112	0.4
189.09018	0.6
197.58850	0.3
207.10156	0.7
378.60001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01855	2.4
57.03430	2.7
61.02912	4.1
69.03420	5.8
69.07078	0.7
71.04960	0.8
72.08124	0.7
73.02859	0.7
79.05483	3.5
81.03407	3.7
85.02886	30.9
86.89010	0.6
90.04674	0.6
91.03964	1.0
91.05486	1.0
92.08670	2.0
93.07018	5.8
95.08582	1.6
97.02847	7.2
99.04490	0.6
103.05470	1.0
105.07012	31.4
109.02894	1.6
109.06483	1.5
109.10132	1.4
117.37105	0.7
119.08548	3.9
121.10106	0.8
122.03586	1.0
122.06033	1.3
123.04420	3.2
127.03879	3.6
133.05438	0.8
133.06468	47.5
137.05951	100.0
137.09532	4.4
139.07529	0.7
145.04973	3.2
147.08067	0.6
164.07016	0.7
165.09081	54.2
180.39038	0.7
183.10129	27.5
200.00761	0.7
332.90146	0.7
349.82965	0.7
351.51343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01875	2.0
55.05508	28.3
57.03424	3.1
57.07074	11.4
65.03931	1.6
65.53769	1.2
67.05492	54.2
69.03430	3.3
69.06715	2.1
69.07056	36.3
70.03749	1.4
71.04971	2.3
71.08635	1.6
71.90214	1.3
72.08126	1.5
79.05470	35.3
80.05012	5.7
81.07037	100.0
83.04935	2.1
83.08605	15.2
85.02908	1.7
85.06531	40.2
85.07014	2.2
91.05460	25.8
93.07025	64.4
95.04944	8.1
95.08583	91.8
97.06511	8.0
97.10161	11.4
99.08078	1.8
103.05447	3.2
105.07015	41.2
107.04919	2.4
107.08582	46.0
109.06513	5.9
109.10149	50.2
111.08107	3.0
111.11713	6.0
115.05406	1.9
117.06980	1.6
119.08555	26.0
121.06470	3.0
121.10114	32.4
122.03588	2.4
123.08039	3.0
123.11674	15.8
125.09646	5.5
130.99023	1.7
131.04926	7.0
131.08531	17.6
133.06474	1.7
133.10115	33.6
134.06003	18.5
135.04434	3.5
135.08038	2.6
135.11676	28.3
137.05959	29.1
137.09630	6.8
137.13300	3.1
139.11194	1.8
145.10091	12.2
147.11679	18.6
149.13248	15.9
151.03920	6.7
151.07501	2.5
151.14790	1.8
152.07065	21.9
153.05507	2.7
159.11641	17.7
161.05981	5.8
161.13237	6.8
163.07553	5.7
163.14790	9.6
165.12735	2.2
167.07002	3.6
173.13237	10.3
175.07529	2.4
175.14760	2.9
177.09109	11.3
187.14790	8.4
189.16434	6.2
192.13873	1.8
201.16394	2.3
210.14900	6.2
211.07767	1.5
215.17914	2.7
242.81854	1.5
271.24109	8.0
277.25287	6.6
289.25226	16.0
295.26120	2.3
307.26251	7.4
325.14215	3.5
361.21115	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	362.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49629	0.6
53.03911	0.6
54.50409	0.6
55.01852	2.7
67.05481	2.5
67.17957	0.7
69.03407	3.9
69.07032	0.6
70.06569	0.8
71.04958	0.6
72.08110	0.7
74.95880	0.6
79.05442	0.6
84.04474	0.7
85.02878	7.5
86.09688	1.4
91.05450	3.1
93.07034	0.9
95.08574	1.2
97.02863	1.4
98.97571	0.7
99.04402	0.8
103.05431	1.3
104.03430	0.6
105.06996	1.1
107.04948	4.5
109.06515	0.9
109.10136	4.1
109.94028	0.6
116.98613	0.8
118.04045	0.7
118.98946	0.5
119.08549	3.5
121.02790	0.7
122.02711	0.7
122.82285	0.6
123.08053	0.7
125.05949	0.6
127.03893	1.1
131.04877	3.2
137.05966	5.9
137.09555	5.8
141.06981	0.9
147.04341	0.7
147.08066	6.5
148.89560	0.6
153.06973	1.2
155.08572	2.9
165.05420	2.8
165.06947	11.1
165.09071	66.9
167.08508	1.0
168.05676	0.7
169.06454	3.6
172.09691	0.8
177.06967	1.5
178.07710	6.2
179.08511	22.1
181.06459	3.3
181.10110	1.4
183.08011	35.0
187.07448	0.8
187.22060	0.7
189.06967	4.6
189.09010	1.1
190.07697	1.0
191.08511	3.6
193.06285	8.9
194.07222	3.9
195.07990	1.3
205.06433	0.9
205.08646	0.6
206.07288	1.0
207.08009	66.0
209.06035	0.7
209.09555	6.6
211.07506	20.0
217.06490	6.4
218.07254	0.8
219.07950	1.3
221.05893	7.2
222.06686	0.8
223.07513	3.3
225.09122	1.5
234.06792	0.9
235.07480	100.0
236.08202	1.0
237.02821	0.9
237.09041	12.0
239.06969	49.7
252.10118	28.2
253.08545	5.1
263.07016	5.7
270.11176	1.3
281.08005	34.9
298.10666	17.8
299.09042	5.3
303.08469	0.6
316.11725	24.4
327.08560	10.9
344.11209	7.7
345.09583	7.2
362.12244	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	361.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41597	0.9
53.03935	4.0
55.01854	2.6
55.05267	1.4
55.05505	23.6
56.17583	0.8
57.03424	4.3
57.07066	11.1
59.04994	1.4
59.78284	0.8
62.62182	0.9
65.03910	1.6
67.05495	27.1
69.03406	2.6
69.07055	41.2
70.86281	0.9
71.04975	4.3
79.05470	25.2
80.05840	1.0
81.03422	1.2
81.07040	55.6
83.04965	2.5
83.08617	16.9
85.02886	2.0
85.06519	6.0
87.04468	1.0
91.05470	21.6
93.07024	70.0
94.04152	2.5
95.04951	22.5
95.08584	48.2
97.06503	7.2
97.07072	1.3
97.10153	6.4
98.05130	1.0
103.05451	11.7
105.03356	1.2
105.04498	1.1
105.07015	31.0
107.04942	1.4
107.08574	25.2
109.06524	6.6
109.10146	23.8
111.08078	6.3
111.11726	1.2
115.05460	2.1
117.06982	5.9
117.07767	1.0
119.04954	1.7
119.08545	18.4
121.06490	4.3
121.10119	22.1
122.03614	9.1
123.04437	1.6
123.08060	2.6
123.11694	11.4
125.09577	1.5
126.41232	1.0
127.03849	1.2
128.06190	1.4
129.06966	1.9
131.04913	18.3
131.08533	5.8
133.06462	20.1
133.10091	10.9
135.04396	90.9
135.08015	5.9
135.11667	8.4
137.05960	100.0
137.09549	1.5
137.13216	3.9
141.06940	0.9
143.04854	1.4
143.08578	1.8
145.06442	2.3
145.10092	10.9
147.11667	8.3
149.05960	5.2
149.13243	8.5
151.07536	5.0
151.14687	1.2
153.05606	1.1
157.06500	2.4
159.11661	5.5
161.05968	9.2
161.13210	4.5
163.07489	13.5
163.11166	2.0
163.14864	1.8
167.14215	1.5
167.18076	1.0
171.08121	1.2
173.05919	1.1
175.07545	1.8
175.14787	1.3
181.12193	1.2
187.07520	1.8
187.14813	1.4
189.09033	4.0
189.16177	1.7
201.16347	1.2
215.17790	1.2
225.08907	1.1
233.18895	1.1
235.07503	1.5
267.10107	1.6
271.24182	2.1
277.25027	1.3
285.11108	1.4
289.25085	7.4
293.11700	5.5
295.09467	2.1
295.26248	2.4
307.26187	6.7
308.19254	1.1
325.14514	2.4
325.27481	2.0
327.11960	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34143	1.1
53.03921	2.5
55.01860	8.6
55.05508	53.4
57.03433	13.7
57.07069	2.7
67.05145	2.9
67.05493	67.8
69.07055	63.1
69.52980	1.3
71.04977	10.0
79.05479	42.0
81.07039	91.6
83.04976	13.6
83.08598	38.0
85.06516	2.8
91.05456	19.0
93.07024	68.8
95.04916	2.2
95.08587	100.0
96.51788	1.3
97.06506	19.3
97.10161	11.4
97.64184	1.3
99.08064	1.8
101.06026	1.7
103.36279	1.4
105.07001	13.0
107.08571	24.8
109.10146	43.2
111.08067	9.4
111.11678	3.2
117.06999	2.6
119.08559	12.6
121.10117	43.7
123.08006	2.0
123.11677	11.8
124.17032	1.3
131.08545	10.3
133.10103	14.2
135.04413	13.3
135.11655	12.1
137.05914	6.4
137.09636	2.8
137.13174	2.5
139.11125	15.9
145.10112	9.5
147.11615	5.1
149.09636	2.2
149.13242	6.4
151.11124	1.6
159.11642	6.8
163.30734	1.5
173.13263	2.6
187.13347	1.5
201.14903	2.5
203.12813	2.0
215.17924	9.7
233.18918	17.5
251.20010	73.8
269.21094	22.7
325.23672	25.5
343.24716	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
53.48332	0.7
55.01867	11.1
55.05505	54.3
57.03173	1.2
57.03428	18.4
57.07071	1.2
59.04985	0.9
67.05492	68.5
69.03390	2.7
69.07054	68.4
71.04976	9.0
71.08599	0.8
73.06551	1.2
74.90688	0.6
79.05477	42.6
81.07039	97.3
83.04967	14.1
83.08116	1.5
83.08604	44.2
85.02856	1.0
85.06532	7.1
91.05457	16.0
92.63395	0.8
93.07022	80.5
95.04942	3.9
95.08585	100.0
97.06515	19.8
97.10153	14.4
99.08087	1.1
101.05972	0.9
105.07006	11.7
105.40849	0.6
107.08573	25.7
109.06477	3.2
109.10145	43.2
111.08080	8.9
111.11711	4.1
113.09595	0.7
117.07015	3.0
119.08561	10.5
121.10125	46.5
123.08060	3.0
123.11683	12.0
125.09595	1.3
131.08548	10.4
133.10094	14.5
135.11676	12.1
137.05914	4.5
137.09599	5.1
137.13223	4.5
139.07451	1.1
139.11157	17.5
145.10109	9.5
147.11667	4.9
149.09587	1.8
149.13240	8.2
150.87816	0.8
151.11180	3.9
159.11638	6.8
161.13203	1.4
163.14664	0.8
167.14272	1.0
173.13249	4.8
175.14713	1.5
185.11729	0.8
187.13333	2.6
189.16342	1.6
195.13777	1.3
201.14850	2.9
203.12727	3.8
205.19458	1.3
215.16199	0.8
215.18047	6.5
223.43567	0.8
226.81255	0.8
233.18976	19.6
251.20012	63.3
269.21039	19.1
325.23700	27.1
343.24738	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	CHEMBL514546
Peak:m/z	Relative Intensity
54.81366	0.7
55.05509	0.8
56.96562	0.6
57.03427	1.3
65.03937	0.6
65.41332	0.7
67.05470	0.8
69.03411	3.2
72.08139	0.8
74.88223	0.6
79.05485	5.2
81.03363	0.8
81.07047	3.1
82.06050	0.7
83.29468	0.7
85.02880	3.5
91.05457	9.8
93.07038	1.6
94.04153	1.1
95.04940	1.3
97.02867	1.1
97.06528	0.8
103.04842	1.1
103.05460	15.7
103.32369	0.7
105.07026	9.3
107.04986	2.3
107.08565	3.7
109.06491	3.6
111.04434	3.2
115.05399	5.4
117.06982	5.7
119.04890	1.3
119.08559	1.8
121.06454	2.9
122.03622	7.2
122.06051	0.9
125.05988	1.1
128.06229	1.4
129.06953	3.9
131.04906	16.9
133.06459	3.6
135.04410	6.8
135.08046	8.0
136.07555	1.5
137.05966	100.0
145.06509	1.3
147.04376	2.8
147.08009	1.4
148.05112	2.6
149.05949	1.3
151.07532	4.2
153.05441	1.8
157.06488	1.7
160.05148	0.7
161.05940	9.3
161.09569	1.0
163.07521	61.7
165.09099	4.0
174.06729	1.2
175.07518	7.7
177.05588	1.0
177.09106	3.3
189.09048	5.9
193.08604	3.8
195.08073	1.3
206.04242	0.7
207.10098	1.4
219.93948	0.7
241.13354	1.4
249.09059	0.9
259.00024	0.7
281.11530	1.8
313.14282	10.8
325.10712	0.9
331.15167	3.4
361.20538	0.8
362.04068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03427	0.7
61.83232	0.5
65.03943	0.6
79.05478	3.8
79.55814	0.6
81.07038	1.1
91.05454	25.2
91.05999	1.1
93.07018	1.3
94.04166	1.0
95.04956	4.4
103.05443	11.1
105.06986	8.6
107.04932	20.2
109.06497	3.0
111.04391	0.8
111.63568	0.6
115.05444	4.8
116.06245	0.9
117.07016	2.9
119.04924	17.6
121.06496	8.4
122.03603	9.1
123.08038	1.3
128.06203	4.1
129.06973	14.3
130.04120	0.8
131.04883	9.2
131.08568	2.8
132.05621	0.7
132.69743	0.7
133.06467	3.7
135.04370	2.4
135.08008	7.6
136.05157	2.9
137.05951	99.2
144.05653	0.8
145.06442	4.0
146.03593	2.8
146.07230	5.2
147.04379	9.8
147.08020	1.4
148.05185	4.3
149.05952	7.5
150.06766	2.7
151.03966	0.9
151.07515	49.8
152.06213	2.7
153.05409	1.1
153.06958	0.9
155.06015	0.8
157.06467	7.3
161.05942	100.0
161.09561	23.4
162.06750	4.1
163.03864	0.7
163.07501	21.1
165.06953	6.3
165.09071	2.4
166.07782	2.7
167.08537	11.6
169.06439	1.1
174.06728	7.5
175.07497	7.5
177.09100	2.8
178.07751	3.4
181.06497	3.0
181.08530	1.4
182.07332	1.3
184.08824	0.8
187.07591	0.8
189.09055	42.1
190.07773	0.8
190.15923	0.8
191.06999	1.5
193.06485	4.3
193.10028	5.4
194.07280	3.1
195.08003	14.0
195.09991	1.1
197.05983	1.2
203.08498	2.4
206.07248	0.8
207.08229	1.6
207.10118	26.8
209.05949	0.8
209.09518	1.6
210.06764	4.2
211.07500	1.5
212.08311	2.9
221.05972	5.1
221.09561	5.7
222.06680	0.9
223.07455	5.7
224.08275	3.3
225.08926	4.5
227.06964	0.9
227.10596	15.0
233.09718	0.9
235.07329	0.8
237.09084	2.3
238.06215	3.7
238.09958	1.0
239.07043	1.1
240.07716	1.5
241.08470	1.1
249.09067	3.5
251.06900	0.8
252.07745	1.5
253.08498	8.1
253.12112	7.2
255.10098	11.4
265.08505	2.6
267.10101	3.9
269.08060	3.7
269.11459	0.8
272.10526	1.2
281.11655	1.1
284.10309	0.7
285.11154	8.8
287.12726	24.8
297.11032	1.4
299.12762	1.6
301.14435	1.0
309.91730	0.8
311.12653	1.4
313.14288	13.2
331.15250	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	361.1643
Annotation	CHEMBL514546
Peak:m/z	Relative Intensity
52.87053	0.6
53.03925	1.0
53.67255	0.5
54.48412	0.6
54.48674	0.7
55.01866	1.4
55.80907	0.6
65.03929	1.3
68.37226	0.7
73.50395	0.6
79.05452	4.9
80.49751	0.8
81.07050	1.1
88.20226	0.7
91.05464	29.4
92.08621	1.5
93.07018	1.0
94.04160	4.2
95.04963	4.1
103.05454	9.6
103.06051	1.1
105.07029	8.2
107.04945	21.4
107.08563	1.0
109.06522	3.3
114.36921	0.7
115.05437	4.2
117.07009	4.5
118.04135	1.2
119.04925	22.1
120.05769	0.9
121.06493	9.5
122.03650	9.4
123.08058	2.6
128.06201	3.9
129.06985	10.6
131.04893	7.8
131.08551	4.2
132.05705	0.8
133.02718	0.8
133.06468	1.6
135.04362	0.9
135.08054	7.8
136.05199	1.3
137.05959	100.0
144.05685	0.9
145.06476	2.7
146.03595	2.9
146.07251	5.6
147.04417	10.1
147.08043	0.8
148.05174	4.2
149.05945	5.2
150.06741	4.0
151.03885	1.7
151.07526	48.6
152.06171	1.0
153.06981	1.1
157.06474	6.0
158.07333	0.8
159.08060	1.2
161.05952	96.7
161.09575	26.2
162.06712	3.8
163.07523	21.5
163.08784	0.7
165.07014	8.2
165.09102	1.5
166.07761	1.1
167.08554	6.9
169.06479	3.0
174.06737	8.1
175.07547	11.5
177.07018	1.0
177.09103	3.5
178.07771	3.3
179.08536	1.1
181.06483	1.6
181.08524	0.8
182.07237	3.0
187.07449	0.9
189.09071	47.9
191.07071	1.2
192.09311	1.1
193.06438	5.7
193.10118	5.8
194.07275	1.4
195.08037	14.2
197.06001	2.4
203.08522	0.7
205.06538	1.3
206.07317	1.2
207.08235	2.6
207.10107	23.7
209.05933	0.8
209.09534	1.3
210.06778	4.8
211.07532	2.7
212.08350	3.3
219.10110	1.1
219.29379	0.7
221.06027	6.4
221.09563	6.4
222.06754	1.2
223.07477	8.2
224.08263	3.3
225.05594	0.9
225.08987	5.7
227.06998	1.0
227.10637	18.5
235.07529	1.0
237.05409	0.9
237.09142	1.5
238.06152	3.2
239.07011	2.8
241.08502	1.0
249.09035	1.6
252.07845	2.5
253.08554	8.3
253.12115	7.2
255.10114	11.0
261.08939	0.8
265.08554	1.5
267.10129	4.6
269.08099	3.4
281.11746	1.5
284.10339	0.9
285.11172	9.6
287.12692	21.6
287.15619	1.0
297.11121	3.1
299.12692	1.7
311.12711	1.5
313.14310	11.8
325.14435	0.8
331.15320	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	361.1644
Annotation	CHEMBL514546
Peak:m/z	Relative Intensity
55.01863	0.5
56.96545	0.7
65.03918	0.4
77.74646	0.4
79.05475	4.8
79.50455	0.4
84.08160	0.6
85.02885	0.8
86.09702	0.8
91.05465	9.8
92.08622	0.7
93.07066	0.5
94.04160	2.1
98.97562	2.2
103.05445	14.7
105.07006	7.1
107.04930	3.0
107.08573	4.1
109.06504	2.4
110.97554	0.4
115.05431	5.9
116.06222	0.6
116.98615	2.1
117.06984	5.6
119.04913	0.7
119.08537	0.7
120.05700	1.8
121.06487	0.8
122.03629	6.1
123.08019	0.6
128.06197	0.9
129.06978	4.1
131.04909	20.3
133.06444	1.8
134.99669	0.5
135.08034	7.2
135.82419	0.5
137.05959	100.0
138.06288	0.5
144.05783	0.5
145.06473	1.0
147.04382	1.7
147.08064	2.0
148.05144	2.2
151.07550	1.9
153.05453	1.9
157.06471	2.4
160.05141	1.1
161.01189	0.5
161.05937	3.0
162.06746	0.6
163.07515	66.3
164.06990	0.5
165.09068	0.9
169.06622	0.6
174.06750	2.4
175.07489	10.5
177.09091	2.0
178.07794	0.7
189.05373	0.5
189.09052	6.7
193.08551	0.5
195.08255	0.4
201.08961	0.5
207.10165	0.5
211.07489	0.6
221.09660	0.9
231.07990	0.6
235.11235	0.5
237.02991	0.5
238.09813	0.5
248.08322	0.5
249.09097	0.5
253.12096	0.5
265.08612	0.5
266.09262	0.6
267.10034	0.9
279.09848	0.4
280.10648	0.5
281.11703	2.9
295.13062	0.8
299.12848	0.6
313.14273	12.7
325.14389	0.9
331.15381	3.9
361.25101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	CHEMBL514546
Peak:m/z	Relative Intensity
53.69023	0.8
55.01859	0.7
55.19264	0.8
55.42718	0.7
60.91432	0.7
72.08178	0.7
75.35451	0.8
79.05460	5.3
79.87791	0.8
82.22291	0.9
85.02895	1.1
91.05461	27.6
93.07005	1.0
94.04157	2.0
95.04951	3.7
103.05447	9.2
105.06998	7.5
107.04927	18.4
109.06480	3.4
115.05429	4.6
116.06210	1.3
117.06981	1.8
118.04188	1.3
119.04913	19.4
121.06481	7.7
122.03647	10.5
123.08047	2.0
128.06200	4.1
129.06967	12.8
131.04922	8.8
131.08559	3.6
133.06448	2.0
135.04428	1.6
135.08055	8.3
136.05180	1.1
137.05957	92.1
141.07008	1.2
145.06491	4.1
146.03558	2.0
146.07256	5.2
147.04391	7.2
147.08060	1.9
148.05153	3.6
149.05972	4.7
149.09581	1.1
150.06726	1.0
151.07523	48.1
152.06184	1.2
157.06473	6.7
161.05946	100.0
161.09572	21.2
162.06747	1.7
163.07506	18.6
165.07014	6.5
165.09064	1.3
166.07745	1.2
167.08498	12.0
174.06697	4.5
175.07465	8.4
175.75130	0.9
177.09077	1.5
178.07751	3.8
181.06525	2.1
182.07240	1.7
183.08034	1.2
184.08772	0.9
189.09067	44.2
191.07057	1.1
192.09244	1.1
193.06458	1.8
193.10136	4.1
194.07259	4.7
195.08040	15.3
196.08839	0.9
197.05884	1.8
206.07227	1.4
207.10141	27.7
209.05861	1.5
209.09700	1.9
210.06680	4.9
211.07487	3.4
212.08344	1.7
213.10284	4.6
221.05946	4.9
221.09555	3.7
223.07520	4.9
224.08371	3.4
225.09087	5.5
227.10625	15.2
234.06552	1.0
235.07491	1.0
237.09050	1.4
238.06197	1.9
239.07024	1.4
241.09879	7.1
241.11928	1.1
249.09023	1.7
253.08488	7.9
253.12125	8.4
255.10130	14.4
257.12906	0.9
267.10172	1.2
269.07986	1.2
281.11569	1.4
285.11166	9.6
287.12756	24.0
293.11664	1.4
297.11133	1.4
299.12607	3.2
311.12982	1.2
313.14233	10.2
331.15347	8.1
343.16254	3.7
361.17615	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01856	0.3
57.03423	0.4
61.02909	0.6
66.86263	0.2
69.03409	1.9
79.05476	0.4
79.10045	0.2
81.03407	5.4
81.07010	0.3
84.08156	0.2
85.02890	5.6
86.03208	0.2
88.31458	0.2
91.05457	1.7
94.04166	1.5
97.02856	2.3
99.04450	0.3
103.05451	0.4
109.02875	0.4
111.04446	0.3
115.05440	0.3
117.07014	0.5
119.04916	1.1
121.06512	0.6
122.03643	4.3
123.04395	1.0
127.03918	1.9
128.04247	0.4
131.04918	2.3
133.06468	0.3
135.05569	0.3
137.05963	100.0
145.04996	0.3
145.06476	1.0
147.04410	1.2
151.07516	5.6
157.06470	0.3
160.05206	1.0
163.07510	2.2
167.07092	0.4
167.70319	0.3
175.07530	2.6
177.05521	0.3
177.09096	1.2
181.08559	3.6
183.08022	0.5
187.07562	0.5
191.06981	1.6
199.06007	0.3
201.09065	0.4
203.07018	0.5
205.08578	0.3
209.08060	0.5
211.07420	0.3
217.08533	0.4
229.08534	0.4
246.90962	0.2
271.09662	0.4
289.10687	0.4
356.28989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1389
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
52.20644	0.8
55.01861	2.0
57.03410	1.9
61.02895	1.7
69.03409	6.8
70.03728	1.1
70.06574	6.8
71.04973	2.1
73.02904	1.3
83.04964	1.3
85.02415	1.5
85.02886	22.7
86.03218	4.5
86.09688	1.1
87.22556	0.9
97.02865	7.3
98.45731	0.8
98.97546	1.7
99.04454	1.0
101.05981	8.6
109.02848	1.5
125.07097	3.1
126.65160	0.8
127.03926	9.3
128.04231	3.9
131.04945	1.3
131.25554	0.8
137.05951	10.4
145.04936	6.0
146.05255	1.3
153.10208	4.8
155.08450	1.8
161.76599	0.8
163.05972	1.2
165.06946	10.2
166.07822	0.9
168.05746	0.8
169.06458	1.7
178.07758	4.0
179.08511	18.1
181.06415	1.6
181.09744	5.0
183.08020	31.6
189.07007	1.3
190.07742	1.3
191.08517	3.5
193.04913	1.0
193.06267	6.4
194.07251	3.1
195.08040	4.1
197.05992	1.0
199.10785	8.2
206.07358	1.0
206.09641	1.1
207.08018	70.0
209.09581	5.4
210.07149	1.0
210.09103	9.1
211.07500	20.2
217.06453	6.4
219.08012	1.6
221.05930	12.2
223.07532	4.8
224.93474	0.8
234.09084	3.5
235.07494	100.0
235.67070	0.8
236.10564	1.0
237.09111	7.1
238.08588	4.9
239.06975	57.6
252.10143	64.9
253.08371	1.1
262.08618	1.1
263.06979	8.0
265.08771	0.9
267.06387	1.2
280.09610	9.5
281.08017	32.9
284.09192	7.9
297.12274	18.8
298.10675	34.1
315.13330	8.0
326.10178	5.1
343.12869	29.0
344.11273	3.5
361.09903	0.9
361.14014	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00328	0.6
53.00295	1.2
53.03939	1.7
55.01864	4.9
55.05510	17.5
57.03433	3.0
59.04999	0.9
65.03936	0.7
67.05141	1.3
67.05497	37.8
69.03408	6.1
69.07059	18.3
71.04980	100.0
71.22126	0.6
77.84725	0.7
79.05482	26.1
81.03411	1.4
81.07042	47.6
83.04971	4.2
83.08607	9.9
85.02899	9.1
85.06532	4.2
87.04447	0.8
91.05463	21.8
93.06449	0.9
93.07025	29.0
95.04959	5.1
95.08584	25.1
97.02845	3.4
97.06532	8.5
97.10164	11.3
99.04446	1.0
99.08102	1.0
103.90039	0.9
105.07012	17.6
105.07651	1.0
107.04961	1.5
107.08579	27.0
107.38397	0.9
109.06476	5.8
109.10155	5.3
111.08065	3.3
117.07005	7.7
118.77259	0.8
119.08561	12.4
121.06500	3.2
121.10118	7.8
123.08069	1.7
123.11696	3.1
125.09603	9.3
127.03909	7.1
131.08534	8.6
133.10129	14.1
135.04460	1.0
135.08087	1.5
135.11681	12.4
137.05940	1.0
137.09616	1.6
145.04977	1.2
145.10136	3.7
147.11697	5.9
149.09619	7.0
149.13306	5.7
151.11119	1.1
155.81490	0.9
158.77452	0.8
159.11670	11.6
161.13304	1.2
163.11195	3.9
177.12749	4.8
185.13184	1.1
187.11256	0.8
189.11215	4.0
195.13756	10.7
209.15384	5.1
213.14888	1.5
227.16408	42.4
257.18918	1.7
260.53372	0.8
275.20032	27.2
282.76495	0.9
293.21097	1.5
307.22665	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04679	0.7
53.00302	0.9
53.03936	1.5
55.01860	5.2
55.05507	25.0
56.81543	0.8
57.03420	2.1
57.07059	1.1
59.04988	1.7
63.49032	0.8
67.05498	46.5
67.72304	0.9
69.03411	5.4
69.06667	0.9
69.07057	30.9
71.04979	100.0
72.80917	0.7
73.06539	1.2
79.05476	33.3
79.05903	1.7
81.03394	1.3
81.07043	54.6
83.04951	4.5
83.08600	14.9
85.02882	8.0
85.06527	5.0
91.04910	1.0
91.05465	21.5
93.07026	33.9
95.04947	5.0
95.08585	26.4
97.02857	1.9
97.06516	9.1
97.10150	17.9
99.08079	1.4
105.07028	22.5
107.04949	2.1
107.08586	31.0
109.06523	5.3
109.10148	12.1
111.08080	4.2
113.05971	0.9
113.09616	1.8
117.07021	7.4
119.08562	15.1
121.06468	3.4
121.10107	13.1
123.08096	1.4
123.11739	1.3
125.09634	10.1
127.03899	3.1
127.07646	0.8
131.08578	10.3
133.10114	14.5
135.08023	4.3
135.11678	15.0
145.04962	1.2
145.10135	9.2
147.11687	8.1
149.09602	8.0
149.13222	8.7
151.11177	1.5
153.12735	4.0
155.10645	1.5
159.11716	11.1
161.13246	1.7
163.11127	4.4
165.12686	1.0
169.10133	0.8
171.11740	1.2
173.11707	9.6
173.13132	1.5
177.12692	6.7
189.11189	8.7
195.13788	10.3
203.75850	1.1
209.15329	5.4
213.14929	2.1
222.19373	1.0
222.81581	0.9
227.16394	40.3
239.17918	1.8
257.18930	4.7
275.20059	29.6
278.65677	0.9
293.21069	3.7
307.22675	7.1
369.91174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45971	2.0
53.03934	9.1
55.01872	33.5
55.05508	70.7
57.03430	16.5
59.04978	2.2
60.43614	2.0
64.14738	1.9
65.03942	2.4
67.05145	3.5
67.05499	100.0
68.06274	2.3
69.03413	15.2
69.07054	45.6
71.04983	25.3
79.05476	82.8
80.06254	2.4
81.03403	18.1
81.07045	95.6
83.04973	22.6
83.08624	25.9
84.05797	2.6
85.02896	23.9
91.05466	48.0
93.07029	78.5
95.04949	53.3
95.05515	2.8
95.08591	47.4
96.05724	14.7
97.02889	10.4
97.06531	20.0
97.10160	41.3
98.07326	3.9
99.04434	4.5
105.04527	2.2
105.07023	29.8
107.04958	23.2
107.08586	46.0
109.02886	42.2
109.06516	32.3
109.10152	48.1
110.07272	3.0
111.04453	15.2
111.08099	9.8
117.07022	16.6
119.08569	32.6
121.06492	13.1
121.10123	18.9
122.07282	9.7
123.04424	20.3
123.08031	16.2
123.11665	3.7
125.09647	27.7
127.03934	3.7
129.07022	3.3
131.08543	15.2
133.06465	4.8
133.10112	16.4
135.08049	13.0
135.11664	10.4
136.81223	2.3
137.05971	4.9
137.09604	37.4
138.10385	11.9
140.08328	2.7
143.08617	3.4
145.10117	8.6
147.08043	11.2
147.11693	12.5
149.09618	8.3
151.07533	3.2
153.09033	3.1
153.12737	3.9
155.10724	18.8
157.10129	10.7
159.11658	4.5
161.09599	3.8
163.11218	3.5
165.09039	4.0
165.12695	9.3
171.11630	2.8
173.11732	5.0
175.11166	12.7
177.12746	14.7
189.11169	9.8
193.12222	24.5
195.13809	5.2
219.13739	2.5
220.66281	2.9
221.11722	45.8
227.16397	3.1
232.75688	2.5
239.12776	17.2
249.14799	2.3
273.18488	10.6
275.20016	3.5
279.15637	2.3
290.18607	4.0
291.19507	31.2
298.52707	2.6
308.19745	8.1
309.20471	4.0
350.81064	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	360.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.8
53.03940	4.4
55.01864	20.4
55.05509	49.5
57.03429	20.9
65.03912	2.4
67.05141	3.3
67.05496	79.3
68.99797	2.7
69.03424	18.2
69.07059	82.8
69.38751	1.9
71.01344	30.9
71.04977	11.6
73.02934	2.9
79.05474	77.2
81.03403	27.9
81.07038	85.1
81.12069	2.0
83.04963	25.2
83.08613	21.2
85.02893	23.8
85.06542	4.3
91.05466	61.9
93.07026	75.7
95.04955	33.0
95.08591	46.7
97.02862	21.9
97.06511	25.8
97.10157	8.5
99.04432	9.2
99.08082	13.1
105.07025	34.0
107.04945	11.0
107.08575	52.8
109.02896	9.2
109.06507	19.6
109.10136	25.1
111.04435	9.9
111.08081	13.5
115.04642	1.8
115.05431	2.3
117.07024	17.4
119.08547	22.2
121.06497	8.6
121.10128	61.1
123.04404	14.8
123.08050	13.4
125.02360	3.3
125.09616	8.7
127.03912	12.6
129.07021	4.2
131.08562	21.1
132.04430	19.8
133.06468	3.2
133.10106	25.5
135.04439	3.2
135.08099	15.8
135.11670	17.0
137.05914	2.3
137.09592	8.0
138.82535	1.9
139.07541	9.8
139.11179	7.0
141.09106	10.0
143.08586	3.5
145.04958	4.7
145.06497	7.8
145.10127	12.9
147.08070	2.5
147.11725	2.2
149.09610	20.6
151.11165	4.7
153.09108	14.5
157.10085	2.7
159.08038	2.2
159.11584	2.4
161.09631	8.7
161.13214	1.9
163.06026	2.2
163.11195	7.6
164.07056	2.3
165.09027	2.9
167.10619	14.6
173.09558	3.2
173.11708	11.1
175.53560	2.2
179.10725	3.5
181.12247	7.7
185.11690	2.4
191.10696	3.9
193.12213	100.0
205.12262	2.0
209.11729	10.9
227.12798	2.5
243.17371	2.7
261.18503	3.3
271.16727	3.1
279.19470	2.7
289.17947	60.8
307.18939	36.3
318.20566	2.2
325.20154	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	360.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.8
55.01868	27.5
55.05505	47.4
55.69103	1.8
57.03426	20.2
57.07050	2.1
62.81212	1.8
67.05141	3.6
67.05492	81.6
68.99768	2.4
69.03419	14.9
69.07059	83.6
71.01350	22.7
71.04975	13.7
79.05479	70.1
81.03400	23.3
81.07040	100.0
83.04959	23.4
83.08609	19.1
85.02890	25.0
85.06538	5.2
89.51597	1.8
91.05465	51.7
93.07022	76.6
93.07570	4.2
95.04949	37.4
95.08584	42.7
97.02855	17.3
97.06518	23.1
97.10162	5.1
99.04417	4.6
99.08091	8.5
105.07011	36.7
107.04935	16.2
107.08575	44.8
107.12054	2.0
109.02856	8.7
109.06508	19.1
109.10146	26.3
111.04420	9.9
111.08082	12.1
117.06991	16.0
119.08530	24.8
121.02858	2.4
121.06510	4.6
121.10121	53.9
123.04406	11.0
123.08045	12.1
124.43567	1.8
125.02274	3.1
125.05970	3.1
125.09624	3.7
127.03912	10.0
129.07013	3.5
130.10735	2.3
130.81514	2.1
131.08530	26.0
133.10091	26.5
135.08072	17.6
135.11618	23.3
137.05957	4.5
137.09631	4.1
139.07509	3.7
139.11192	4.8
143.08560	4.9
145.04922	3.1
145.10112	9.2
147.07979	4.3
147.11694	4.6
149.09601	18.7
151.11157	4.1
153.09100	13.2
157.10162	3.1
161.09579	10.1
163.11166	9.2
165.09160	3.3
167.10661	12.8
169.10100	2.3
171.10197	2.9
173.09567	2.6
173.11714	14.5
175.11169	3.2
177.08971	3.8
179.10625	3.7
181.12206	4.3
191.10658	3.3
193.12206	57.9
209.11681	17.2
261.18500	4.8
271.16840	4.4
289.17926	59.8
307.18942	29.1
325.20154	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	360.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38600	1.9
53.00294	2.9
53.03942	5.7
55.01860	28.5
55.05502	53.8
57.03429	23.2
57.07060	3.6
65.03929	2.1
66.85538	2.1
67.05491	90.0
69.03412	30.6
69.07054	81.0
71.01340	22.5
71.04957	12.0
71.08598	9.4
79.05474	82.9
79.05830	2.0
81.03397	28.8
81.07037	100.0
83.04964	29.0
83.08601	24.2
85.02887	58.3
85.06522	3.5
91.05457	60.2
93.07024	89.9
95.04936	37.8
95.08585	56.6
97.02890	21.0
97.06531	28.1
97.10149	12.7
99.04450	9.2
99.08060	13.2
101.02364	3.2
105.07008	44.4
107.04943	18.8
107.08573	53.0
109.02869	10.3
109.06493	18.4
109.10098	19.7
111.04409	12.5
111.08055	16.9
115.05453	2.9
117.06989	14.7
119.08559	29.0
121.06512	4.9
121.10122	70.8
123.04398	5.1
123.08025	19.4
123.11690	3.4
125.09644	3.8
127.03898	30.5
129.06975	4.5
130.07755	3.2
131.08519	28.8
133.06470	3.3
133.10118	24.2
135.08014	20.6
135.11685	15.7
137.05937	27.3
137.09601	13.4
139.07538	4.9
139.11137	19.9
141.09096	4.0
143.08589	5.7
145.04921	13.9
145.06477	2.8
145.10147	4.4
147.08012	4.5
147.11691	3.3
149.05978	5.0
149.09616	29.3
151.11172	4.4
153.09070	10.7
155.08559	3.1
157.10089	4.8
159.07997	3.2
161.09608	13.2
163.06010	3.6
163.11142	9.8
165.09134	3.7
167.10638	18.3
173.09572	5.6
173.11769	8.3
175.07489	3.1
176.07849	3.5
179.10551	3.6
181.12192	3.9
185.11729	9.3
187.11214	3.1
191.10626	2.5
193.12132	15.9
197.11667	5.1
200.39783	2.8
203.05943	2.3
203.12730	4.4
209.11655	9.2
221.11748	4.7
239.12767	4.4
243.17422	4.1
261.18594	10.4
265.54092	2.4
271.16943	10.4
271.41690	2.8
289.17960	59.8
307.19028	31.8
325.20081	4.2
342.37454	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47842	0.5
55.01865	3.2
55.05489	0.8
57.03420	1.3
57.07067	0.5
58.67363	0.5
66.17653	0.6
67.05478	1.0
69.03412	4.7
69.07040	0.8
70.06577	0.8
71.08617	0.7
71.53739	0.5
72.08132	5.3
73.02882	0.5
79.05476	5.2
81.07041	1.2
85.02890	10.0
85.61732	0.6
87.04482	0.6
89.23944	0.5
91.05466	2.2
95.04939	1.2
95.08601	2.4
97.02873	3.8
99.04447	0.9
103.05418	4.1
105.07012	58.5
107.08633	0.8
109.02872	1.0
109.06519	3.5
111.60535	0.5
112.34385	0.6
113.24677	0.5
122.03636	1.3
124.05219	2.0
127.03904	7.5
129.68198	0.6
131.04861	0.8
133.06468	62.3
136.05135	0.6
136.73860	0.6
137.05954	77.1
145.04953	3.6
149.05997	1.2
150.06749	0.9
151.07547	1.3
160.64828	0.6
163.05988	1.0
163.07574	0.6
165.09077	100.0
166.09502	0.6
173.09628	0.6
176.08282	1.3
177.09140	1.3
190.09895	0.7
204.11432	6.0
219.13765	1.3
341.60382	0.7
343.18900	5.4
350.94357	0.6
360.21964	0.8
360.28851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05497	0.4
57.03421	0.8
65.03915	0.6
67.05503	0.7
69.03418	5.1
69.07063	0.9
71.86114	0.5
79.05481	5.2
79.88228	0.5
81.03398	0.5
81.07035	1.0
85.02892	8.6
91.05466	0.9
92.09339	1.1
95.04944	0.6
97.02880	4.4
101.02366	0.8
103.05455	3.0
105.07011	47.0
107.08581	0.7
109.02848	0.9
109.06522	0.9
121.71256	0.5
122.03607	0.6
122.92049	0.5
124.05190	2.0
127.03902	6.4
133.06465	49.3
137.05954	57.1
145.04950	3.4
146.65140	0.5
151.07536	0.8
156.72960	0.7
165.09076	100.0
176.08305	1.0
204.11438	1.2
219.13829	1.0
258.83093	0.6
319.21164	1.1
337.22394	1.2
343.19418	0.7
350.29425	0.5
359.36978	0.6
374.36914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01883	0.7
57.03424	0.6
61.02914	1.3
63.68829	0.2
68.06354	0.2
68.74211	0.2
69.03421	2.9
70.06583	0.2
71.04985	0.5
73.02908	0.3
77.03893	0.4
79.05431	0.2
81.03407	1.2
81.66162	0.2
85.02894	9.4
89.03902	0.3
97.02881	2.8
99.04450	0.4
103.05453	44.3
109.02854	0.5
117.03409	0.3
119.04934	0.3
127.03905	2.7
131.04909	100.0
135.04422	1.2
137.05951	1.0
145.02823	0.4
145.04936	1.9
163.03888	6.2
163.07507	18.8
180.10162	0.5
181.04948	1.2
223.07483	0.3
236.95546	0.2
249.65402	0.3
291.13385	0.5
303.13376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.6
53.03941	1.0
55.01853	5.2
55.05505	0.9
57.03419	3.2
61.02905	0.8
67.05491	4.5
69.03416	5.6
69.03727	0.6
78.95647	0.7
79.05486	10.0
81.03398	1.1
81.07030	2.8
83.08555	0.8
85.02885	10.5
91.05463	11.7
93.07008	1.4
95.04974	5.7
97.02863	5.4
99.04387	0.9
100.57259	0.8
101.02342	1.0
103.05447	85.2
104.06232	11.6
105.07001	16.4
107.04937	70.0
107.08595	3.1
107.19518	0.7
109.10134	2.9
112.29392	0.9
115.05434	9.4
115.07500	0.9
117.07009	3.7
119.04924	1.8
120.05682	3.8
121.06490	3.7
121.79606	0.8
122.03623	1.0
124.39524	0.8
127.03911	8.3
131.04898	30.9
132.05722	11.3
133.06468	4.1
134.93980	0.8
135.04395	4.6
135.08020	25.7
137.05989	1.2
138.32027	0.8
145.04948	4.5
145.06493	2.5
145.07620	3.6
147.04381	7.9
148.05164	0.9
149.05956	3.9
151.07483	0.8
161.05952	13.2
161.09535	1.0
162.06725	94.7
163.07507	100.0
175.07500	4.7
188.08287	1.6
201.88193	0.7
203.10641	28.4
241.08623	1.3
269.08008	1.5
284.10275	8.2
325.14258	22.8
326.22818	0.7
359.21964	1.2
360.22064	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1851
Annotation	Virolin
Peak:m/z	Relative Intensity
53.03926	0.9
55.01859	2.2
55.34809	0.4
57.03427	0.9
65.03919	0.8
70.67376	0.4
78.04692	1.0
79.05478	13.5
81.03404	0.4
85.02899	2.3
91.05451	7.0
92.09225	0.5
93.03399	0.4
93.07027	0.6
95.04949	3.5
95.76065	0.4
103.05451	27.1
105.03391	0.9
105.04501	0.6
105.07016	40.8
106.04141	0.9
107.04945	24.4
107.08556	2.1
109.06506	0.8
115.05434	3.6
116.98496	0.5
117.07004	2.2
119.04933	0.8
120.05705	6.9
121.06493	4.4
123.04393	4.6
124.05183	2.6
125.05984	1.8
131.04912	4.0
132.05617	0.7
133.06432	3.0
134.03618	1.9
135.08034	89.2
137.05963	3.8
139.03877	6.8
139.07509	3.4
141.47835	0.4
145.06482	1.0
145.07565	0.5
145.10056	0.5
147.04398	4.1
148.05167	2.7
149.05995	1.8
150.06754	0.5
151.03868	1.7
152.04680	5.2
154.06232	11.4
154.07457	0.6
161.05937	0.8
163.07520	19.2
164.08304	2.5
165.05435	4.8
167.07010	89.3
173.09602	0.6
175.07588	0.5
176.08307	0.6
180.07784	13.9
181.08540	0.5
190.09828	1.0
191.10619	1.0
195.10143	100.0
237.88608	0.4
239.18623	0.5
314.45291	0.5
327.15759	0.5
359.18283	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	359.2188
Annotation	Bengamide E
Peak:m/z	Relative Intensity
55.05499	1.0
61.26362	1.2
61.53448	0.9
64.95149	0.9
67.05486	1.5
69.07048	1.1
85.02892	2.6
86.06013	1.2
87.04454	2.0
88.04831	1.3
91.05469	2.5
95.08553	1.4
103.05461	2.6
104.06234	1.3
105.06998	1.6
107.04946	2.3
109.10139	1.7
123.11651	1.2
136.32082	1.1
136.61691	1.2
162.06725	6.0
163.07530	2.8
249.57970	1.2
250.85405	1.2
253.08426	1.4
269.08136	2.3
284.10318	2.9
296.31934	1.1
359.21860	100.0
377.43127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.5
55.01852	1.1
55.05505	34.8
56.02975	1.0
57.03428	2.1
57.07067	26.3
59.05014	1.1
65.20950	1.1
67.05489	28.1
68.99777	9.1
69.03427	1.1
69.07053	56.4
71.04971	1.3
71.08614	14.2
79.05478	13.4
81.06554	1.1
81.07037	41.5
83.04973	2.5
83.08604	42.6
85.02898	1.7
85.06548	1.9
85.10158	7.9
87.00813	71.6
91.05460	1.6
92.87546	1.1
93.07026	21.3
95.08579	30.9
97.06512	9.1
97.10153	25.9
99.08046	1.9
104.04997	1.7
105.01852	11.3
107.08578	19.5
109.10142	17.7
111.08056	7.5
111.11703	6.1
121.10108	25.0
123.11668	8.4
125.09615	5.1
129.09071	1.4
132.04428	100.0
133.04767	36.7
135.11676	16.5
137.13272	7.7
139.11192	7.1
139.62491	1.3
139.83322	1.1
148.74867	1.2
149.13245	12.1
151.14728	1.3
153.12724	5.8
163.14796	8.9
164.07025	17.3
165.07404	6.5
167.14310	4.7
168.62701	1.1
177.16345	2.4
181.15869	1.4
219.21022	15.6
237.22072	57.1
255.23129	54.8
255.25800	2.5
277.21475	1.8
295.22678	1.9
323.22122	12.4
335.07877	1.3
341.23117	15.7
355.19580	1.2
384.35278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39394	0.2
52.62705	0.2
52.84497	0.2
53.03924	0.4
55.01857	1.9
55.05514	2.7
55.18526	0.3
57.03432	3.3
61.02893	0.3
65.03931	0.3
67.05506	3.6
69.03413	4.1
69.07054	3.1
71.04971	1.3
73.02914	0.5
78.43217	0.3
79.05477	3.7
81.03405	1.2
81.06628	0.5
81.07040	4.1
83.04978	1.3
83.08616	1.5
84.78007	0.3
85.02901	6.8
85.06538	0.6
91.05474	2.6
93.07021	3.1
94.04185	2.3
95.04940	1.7
95.08598	1.4
97.02868	2.2
97.06534	2.3
97.10166	1.4
99.04433	0.5
101.02385	0.4
103.05450	0.4
104.96442	0.3
105.07018	2.3
107.04944	0.7
107.08573	1.9
109.02951	0.3
109.06503	1.5
109.10155	2.1
111.08057	0.4
113.06012	0.4
115.07611	0.4
117.06978	1.2
119.04976	0.3
119.08562	2.1
121.10133	1.8
122.03622	8.2
123.08060	1.2
125.09625	0.4
127.03908	5.3
131.04959	0.3
131.08495	1.0
133.10109	1.2
135.08034	0.5
135.11708	0.4
137.05963	100.0
138.06323	0.6
145.04955	2.0
145.10118	0.7
147.08064	0.5
149.09500	0.4
151.07487	0.5
159.08064	0.5
161.06015	0.3
163.05968	0.3
173.09523	0.4
181.06548	0.3
181.08560	0.3
189.11116	0.5
191.08530	0.4
199.14897	0.3
219.08049	0.5
221.09639	0.4
223.07747	0.4
234.06654	0.4
237.09169	0.8
247.07549	0.4
249.09157	0.5
250.06207	0.7
261.18607	0.4
263.16428	0.6
265.08591	1.9
283.09625	0.7
289.17972	1.5
293.08038	2.8
297.11105	1.3
299.12640	1.4
307.19073	1.7
311.08994	0.4
325.10742	3.1
325.20074	3.0
342.14304	0.5
343.11768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03921	0.3
53.56716	0.2
55.01856	0.9
55.05507	0.3
57.03417	0.9
57.07062	0.2
59.04980	1.0
61.02908	1.2
61.56380	0.2
63.00607	0.2
65.31602	0.2
67.05479	1.1
69.03419	2.7
69.07069	0.4
71.04952	0.3
73.02861	0.3
75.15016	0.2
79.05460	1.6
81.03412	0.8
81.07035	1.5
85.02888	9.9
85.06513	0.2
87.04445	0.4
91.05453	4.9
92.08694	0.5
93.07021	11.9
95.04961	2.7
95.08579	0.8
97.02869	2.1
105.07013	10.1
107.04959	0.5
107.08575	35.2
109.02857	1.3
109.06514	1.8
109.10143	3.4
115.32115	0.2
117.06950	0.3
119.04897	1.0
119.06085	0.2
119.08567	4.4
121.06469	3.6
121.10101	0.4
123.04404	1.8
123.07997	0.4
123.11691	1.9
127.03896	1.4
128.06235	0.3
131.08524	1.1
133.10104	38.2
135.08032	0.9
135.11671	32.0
137.05962	2.0
137.09612	2.5
143.08534	0.9
145.04939	0.9
146.07249	0.5
151.11128	3.3
161.09589	20.1
179.10634	60.5
180.10959	0.4
195.01433	0.2
197.11697	100.0
198.12036	0.5
231.79707	0.2
232.71049	0.2
296.54852	0.2
314.78543	0.2
333.84695	0.2
359.16809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05493	1.2
56.96567	1.1
60.78561	1.0
64.33282	1.0
67.05491	1.5
69.03436	1.6
69.07045	1.0
70.06582	1.2
71.04980	2.1
79.05474	4.2
81.07043	1.7
85.02883	1.6
86.09690	5.5
91.05454	6.8
93.07015	1.2
94.04152	4.1
95.04926	1.3
102.79494	1.1
103.05482	7.6
105.07008	2.4
107.05004	1.6
109.06513	1.8
111.04435	2.0
115.05448	5.6
116.98605	1.4
117.07014	1.7
119.04935	6.3
121.06511	1.9
122.03614	9.5
128.06186	4.0
129.07011	8.8
131.04901	8.9
133.02820	4.3
135.04391	6.2
137.05962	100.0
138.06302	1.1
143.04871	2.5
143.08510	1.1
144.05666	4.0
145.06448	2.2
146.47330	1.0
147.04388	4.4
149.05962	2.5
151.03893	10.5
151.07527	5.6
153.05457	1.9
157.06448	4.3
159.07974	1.5
160.05196	7.3
161.05951	12.4
163.07475	2.4
165.05432	2.0
165.06934	2.3
166.07762	1.5
172.05141	6.9
174.06760	8.1
175.07515	22.8
175.96512	1.0
177.05392	2.0
177.06949	1.2
179.08556	1.3
187.07523	37.8
189.09053	11.9
190.07692	1.2
191.08575	4.4
193.06541	2.1
194.07272	5.3
196.05339	1.6
197.05939	1.9
199.07542	1.5
202.07748	4.2
203.08556	12.9
205.06516	4.2
207.08060	2.0
208.08855	1.3
209.06154	1.2
210.06804	1.9
211.07477	9.1
212.04649	1.7
213.05437	1.3
217.08649	10.1
219.08125	8.3
219.10062	1.9
220.08835	5.0
221.05960	4.7
222.06738	4.2
224.08186	1.6
225.09132	2.2
227.06973	29.0
231.07971	10.4
232.08826	4.2
233.05905	2.2
235.07480	1.7
236.08365	5.5
237.09033	1.9
239.07013	2.3
240.07782	10.0
241.08517	1.6
247.07468	4.6
248.08324	20.1
249.09029	1.8
251.10724	4.7
253.08484	4.0
255.06511	23.4
256.07257	6.8
259.07553	5.8
260.08344	1.7
261.08984	2.3
263.10590	15.2
264.07785	2.3
265.08377	10.5
267.10138	1.9
268.07196	3.8
269.08026	1.9
270.08804	36.9
271.09586	15.6
276.07721	7.6
277.08493	4.3
279.10156	11.5
281.07953	2.0
282.08841	1.2
283.09714	8.0
285.11411	3.5
291.10101	26.6
292.10889	1.8
293.07971	4.6
295.09277	1.2
296.10388	2.5
297.11136	5.2
308.10150	3.2
309.11111	2.1
311.12680	9.4
315.12192	2.2
323.12720	24.4
341.13760	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	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81605	1.0
65.03173	0.9
69.07043	1.1
71.04971	1.9
79.05492	1.3
81.07030	1.7
85.02896	3.9
86.09698	1.5
87.04412	1.1
91.05458	2.2
93.07021	2.0
94.04159	6.2
95.04971	1.2
103.05437	1.7
105.07012	2.1
107.04939	1.9
107.08568	5.4
109.06484	4.6
111.04432	1.7
115.05399	2.1
119.04930	3.8
119.08544	1.5
122.03626	11.5
124.89759	0.9
125.61976	0.9
126.03718	1.0
128.06198	2.1
129.07010	8.0
131.04897	2.1
133.02882	1.8
133.10107	8.0
135.04385	1.4
135.11681	7.0
137.05962	100.0
143.04913	1.6
143.08499	1.5
144.04672	1.4
144.05595	7.4
145.06468	1.7
148.24208	1.0
149.05978	2.0
151.03906	4.3
151.07480	1.9
157.06476	5.0
160.05159	7.7
161.05937	1.7
161.08340	1.1
161.09622	4.7
163.07542	1.3
165.05518	1.8
172.05151	8.2
173.05995	1.0
174.06763	9.1
175.07532	20.7
176.60460	0.9
177.05487	1.7
177.09007	1.8
179.06981	1.1
179.10690	9.4
184.05267	1.4
187.07520	47.6
189.09076	11.4
191.08540	5.2
192.09224	1.1
196.05112	1.5
197.05904	1.8
197.11726	17.7
199.07462	2.0
202.07745	4.6
203.08517	16.4
205.06467	4.5
208.08798	1.3
210.06656	1.1
211.07579	9.6
212.04665	3.5
212.07434	1.9
213.05530	1.9
213.07649	2.2
217.08586	11.7
218.07191	1.8
219.08032	9.7
220.08820	6.3
221.05946	1.4
221.09659	1.7
221.47169	1.1
225.05460	1.9
225.09120	1.1
227.06993	37.7
228.07838	1.4
231.07982	16.1
232.08775	4.0
233.05994	1.6
235.07524	1.9
236.08279	4.2
237.09091	1.7
239.07011	5.6
240.07762	13.9
241.08575	4.6
247.07416	7.6
248.08272	27.6
249.05391	1.3
249.09077	1.8
251.06879	1.5
251.10664	5.1
253.08714	1.7
255.06465	37.8
256.07312	7.6
259.07556	1.9
260.08319	4.6
261.09180	3.5
262.09869	1.5
263.06995	1.4
263.07880	1.4
263.10623	15.0
264.07550	1.5
265.08536	6.1
268.07297	4.3
269.08090	1.3
270.08832	49.6
271.09628	22.0
276.07727	13.0
277.08453	6.0
279.10052	11.1
280.10806	3.9
281.08118	1.7
283.09573	11.5
291.10089	34.4
292.10825	1.4
293.08017	5.3
296.10513	7.0
297.11133	1.5
305.11548	1.4
307.09546	1.3
308.10269	5.0
309.11185	2.2
311.12665	11.1
313.14301	1.3
323.12738	31.2
341.13855	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	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.62074	0.8
55.01866	1.5
55.05505	1.6
62.33522	0.8
65.03937	1.6
67.05487	4.2
72.90353	0.9
73.87442	0.9
79.05482	5.1
81.07034	4.0
85.02879	1.8
91.05513	3.2
93.07048	1.8
94.26671	0.9
95.04948	5.7
95.85873	1.0
97.06490	3.8
103.05453	4.0
105.07021	6.9
105.90673	0.9
107.04902	1.1
108.02119	1.6
109.10157	1.2
110.03653	0.9
111.04453	4.0
114.81166	0.8
115.05402	1.0
121.06476	1.1
122.03677	0.9
123.04424	1.3
124.05196	0.9
125.05135	1.7
125.05976	25.0
128.06250	1.1
129.06982	8.5
131.04909	2.2
133.06453	7.7
135.04405	3.9
137.05957	19.1
141.05431	7.2
147.04414	1.5
149.05980	1.8
151.03900	100.0
151.05026	13.7
151.07472	3.1
157.06445	11.9
159.96700	1.0
161.05998	3.9
165.09088	8.1
167.07002	9.5
168.95819	0.9
169.06421	1.0
173.90242	1.2
174.06720	5.3
175.07436	1.6
177.09122	3.4
181.06525	1.0
184.05229	0.9
185.05949	1.5
187.07448	1.5
189.09085	12.0
195.04610	2.1
195.06480	53.4
201.05391	1.1
202.06175	1.6
207.08028	1.1
212.04662	3.6
217.08594	14.1
219.05113	1.0
225.09038	3.5
229.04906	3.9
234.06891	1.0
239.10919	1.0
249.09048	2.1
251.06964	1.8
251.10770	1.3
253.08606	2.1
259.09610	25.7
267.10147	2.1
270.08875	1.5
277.08463	1.2
281.11688	1.7
283.09613	10.3
298.11942	5.0
311.12613	1.4
313.14230	6.4
326.11362	2.2
329.13770	1.5
341.13712	10.8
352.17526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05499	0.9
56.96550	0.7
57.03461	0.6
58.43099	0.5
61.02923	0.9
65.03922	0.6
67.05489	0.7
69.03423	3.7
69.07057	0.7
70.02428	0.6
70.06581	1.2
72.08134	0.7
79.05469	2.9
81.03376	1.1
81.07047	3.5
84.04485	1.2
84.08117	0.8
85.02895	8.7
86.09685	7.5
91.05450	5.1
93.07014	2.7
94.04143	4.5
95.04940	1.0
95.08630	0.7
97.02860	3.5
98.97534	1.0
103.05426	5.9
105.07006	6.3
107.08569	13.5
109.02896	0.8
109.06483	2.5
109.10149	0.8
111.04433	1.5
115.05437	5.4
117.07007	3.3
119.04921	3.3
119.08593	2.7
121.10136	1.3
122.03639	10.1
124.01395	0.6
125.05980	2.4
128.06210	4.1
129.06973	13.8
130.05017	0.8
131.04895	9.8
133.02757	0.9
133.10101	9.9
137.05952	100.0
141.10213	0.8
143.04901	2.5
143.08546	0.7
144.05678	7.6
145.06482	2.8
147.04399	1.5
147.08054	0.7
149.05968	3.2
149.09587	1.1
151.03911	2.5
151.07504	1.5
151.11160	3.6
153.05463	2.8
155.06010	0.7
155.11833	1.1
156.05623	0.6
157.06451	8.6
158.07220	1.1
159.08034	0.7
160.05157	14.4
161.05930	3.1
161.09584	2.7
163.07510	2.9
165.05450	0.7
167.10657	3.2
172.05142	10.6
173.05945	0.8
174.06740	10.9
174.86182	0.7
175.07500	37.2
177.05396	0.8
179.10651	6.3
180.07837	0.7
183.11269	0.8
184.46492	0.7
187.07506	53.7
189.09068	13.8
190.07841	0.7
191.07042	0.8
191.08591	3.5
195.33490	0.6
197.11690	18.6
199.07558	3.2
200.13968	2.7
202.07719	1.1
203.08484	8.2
205.08559	1.2
211.07486	3.4
217.08540	8.7
219.07964	10.0
220.08797	3.1
225.65961	0.6
227.06970	6.2
231.07954	7.5
232.08835	1.0
233.05817	0.9
233.09610	0.9
234.14816	0.9
236.08356	1.4
237.09076	0.9
239.07002	0.8
240.07816	2.7
247.07545	5.9
248.08258	10.2
249.08961	1.3
251.10675	4.0
253.08563	0.9
255.06458	5.8
259.07431	2.3
260.08389	1.2
263.07080	1.0
263.10608	6.6
264.07797	3.6
265.08551	3.9
268.07321	1.2
270.08774	8.5
271.09659	2.6
276.07770	4.7
277.08560	1.0
279.10089	8.0
281.07962	1.5
283.09674	3.4
291.10052	13.3
292.11020	0.9
293.07971	2.9
293.11313	0.7
296.10416	3.7
308.10629	1.2
311.12680	11.5
315.19086	0.7
323.12698	13.1
341.13669	6.1
359.22214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
51.58496	0.8
55.01861	2.0
57.03430	1.1
61.47391	0.9
65.03910	1.0
67.05477	1.4
69.03428	1.1
69.07053	1.1
71.05005	1.4
71.24699	0.7
79.05471	4.7
81.03388	1.3
81.07040	4.5
85.02899	1.5
91.05470	7.3
93.07018	2.2
94.04178	4.1
94.84138	1.0
95.04951	4.9
95.08595	2.3
103.05444	8.7
105.07039	2.1
107.04939	1.3
109.06536	4.4
111.04424	1.0
115.05428	3.6
116.98611	1.0
117.07085	1.1
119.01772	1.0
119.04962	1.1
119.08597	1.8
122.03618	10.1
125.05972	1.5
128.06213	1.7
129.06975	9.3
131.04947	10.5
133.02841	4.3
133.10016	0.9
135.04393	6.1
137.05956	100.0
138.06291	1.6
141.05348	0.9
143.04921	1.9
143.08536	1.4
144.05711	4.1
145.06483	4.2
146.07213	1.1
147.04427	1.5
147.27835	0.9
149.05974	1.6
150.06743	2.0
151.03912	10.0
151.07497	2.0
152.04233	2.0
153.05457	1.3
157.06480	6.6
160.05182	6.6
161.05940	4.1
163.07530	4.9
165.05504	1.7
165.07011	1.2
172.05161	6.7
173.06029	1.2
174.06749	11.2
175.07524	20.0
177.05426	4.7
177.06946	1.1
179.06985	1.6
181.06505	1.0
187.07520	48.3
189.09062	12.7
190.07787	1.8
191.07005	1.1
191.08572	3.3
196.05211	1.1
197.05991	1.9
198.06580	1.3
199.07469	1.9
202.07820	4.0
203.08521	13.0
205.06535	1.5
208.08743	1.3
210.06699	1.2
211.07478	6.9
212.04701	1.9
213.05408	2.3
217.08578	10.1
219.08028	11.1
220.08868	4.4
225.05353	2.0
225.09122	1.9
227.06985	38.9
228.07707	2.1
231.08047	15.5
232.08873	3.7
234.06796	1.8
235.07484	1.2
236.08376	1.6
237.09103	3.9
239.07043	3.7
240.07756	12.9
241.08549	1.8
247.07489	8.0
248.08310	22.4
249.09070	2.1
250.06348	1.4
251.10645	4.7
253.08513	1.7
254.09401	1.4
255.06476	30.4
256.07230	6.3
259.07565	3.8
260.08133	1.5
261.08984	1.4
262.10046	1.1
263.10596	17.6
264.07684	1.4
265.08493	8.1
268.07224	4.1
269.08228	1.5
270.08798	55.9
271.09570	20.1
276.07733	10.9
277.08606	6.9
279.10043	9.6
280.10831	1.5
281.08185	1.2
283.09589	9.3
291.10104	39.3
292.10779	1.9
293.07993	5.0
295.09741	1.2
296.10321	5.8
297.11169	1.5
308.10400	6.0
309.11041	1.5
311.12695	10.2
323.12735	41.6
323.16553	2.1
341.13766	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	359.1486
Annotation	Negundin B
Peak:m/z	Relative Intensity
50.26032	0.5
53.03933	1.4
55.01857	3.2
56.27105	0.6
56.28706	0.5
56.96554	1.4
57.03428	0.7
65.03931	1.2
65.33286	0.6
67.05497	1.7
79.05486	6.8
81.07050	2.9
90.08082	0.7
91.05461	29.2
92.09337	1.3
93.07013	5.0
94.04183	3.8
95.04948	3.8
95.08607	1.0
103.05457	9.2
105.03391	3.2
105.07014	11.6
107.04943	6.2
109.06489	6.9
115.05442	3.3
117.06995	3.1
118.04126	1.0
119.04925	26.1
119.08543	2.7
121.06480	6.0
122.03638	10.4
123.08028	2.7
128.06265	1.6
129.06979	3.2
130.04131	1.3
131.04858	5.0
131.06061	0.7
132.05711	1.4
133.06470	8.8
135.04369	3.2
137.05957	100.0
141.05516	0.8
143.04930	1.1
144.05745	1.7
145.06433	2.9
147.04390	15.0
147.08020	3.4
149.05969	8.5
150.06726	1.4
151.03893	3.6
151.07532	7.2
151.08656	0.9
157.06487	1.0
159.08017	4.4
160.05191	1.5
161.05957	26.0
161.09497	0.9
162.06680	8.0
163.07524	1.1
165.07010	1.0
167.07211	0.8
171.04369	1.0
172.05191	1.4
175.07507	17.4
179.07001	3.7
179.08496	1.3
187.07565	9.1
189.09058	1.0
190.06224	1.2
190.07767	6.6
191.08522	16.0
191.10258	1.0
193.08562	4.8
196.66991	0.7
203.08578	2.7
205.06793	0.9
205.08507	6.0
206.56001	0.8
207.08064	2.8
208.08812	0.9
210.06740	1.2
218.07248	3.4
219.08025	16.1
220.08553	0.8
225.08907	0.9
231.08022	1.7
235.07512	2.7
236.08353	3.2
247.07446	5.7
251.10602	16.8
253.08717	2.6
264.07700	1.1
265.08578	1.1
267.08932	5.7
274.62372	0.9
279.10120	11.7
285.10046	10.6
291.10056	1.1
296.10324	0.9
297.07657	1.4
297.10883	1.4
299.11581	2.6
309.11081	3.0
311.12625	6.9
317.12704	4.0
341.13638	1.4
353.19995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Matairesinol
Peak:m/z	Relative Intensity
52.73520	0.2
55.01858	0.4
55.05495	0.9
62.01978	0.2
65.03931	0.2
67.05479	1.4
69.03432	0.3
69.07050	0.4
70.76341	0.2
72.08134	0.5
73.06544	0.3
73.35277	0.3
79.05464	1.4
81.03383	0.3
81.07045	2.2
82.54366	0.3
82.95055	0.2
83.04987	0.3
83.08595	0.3
85.02888	0.4
90.09177	0.3
91.05473	2.7
93.07003	1.2
93.57781	0.3
94.04159	2.8
95.04924	0.4
95.08591	1.0
97.06525	0.3
103.05447	8.0
105.07007	1.6
107.04962	1.8
107.08593	0.6
109.06494	0.6
109.10133	0.4
115.05438	0.4
116.07075	1.2
117.06986	0.6
119.04953	1.4
119.08537	0.6
121.06498	1.0
121.10088	0.5
121.83342	0.3
122.03622	9.4
129.06985	1.1
131.04903	14.1
133.06450	0.5
135.04362	2.9
137.05956	100.0
138.06300	0.3
141.44655	0.3
145.06456	1.1
147.04404	1.3
147.08081	0.3
149.05948	1.5
151.03915	0.4
151.07547	1.3
153.05495	0.3
157.06474	0.5
161.05971	1.0
163.07523	4.3
165.05461	0.6
165.08989	0.3
169.06616	0.3
174.06599	0.3
175.07542	1.3
177.05482	0.5
177.09019	0.4
179.07007	1.0
189.09111	0.6
191.06905	0.3
196.89459	0.3
201.08958	0.3
203.08522	2.0
205.08578	0.3
223.09535	0.4
226.17819	0.3
231.07985	3.1
232.08768	0.5
247.07312	0.5
248.08305	1.2
249.18414	0.4
259.07544	0.6
263.10614	2.8
274.28552	0.3
276.07834	0.4
291.10031	4.5
305.11673	1.1
308.10260	0.3
309.11365	0.3
323.12708	3.3
340.28476	0.3
341.13770	3.9
359.14633	0.4
359.20273	1.0
359.29477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
54.93124	1.3
55.01862	2.7
56.96545	8.2
65.03944	1.8
79.05468	10.7
81.07021	3.2
81.65540	1.6
82.16855	1.4
82.33369	1.7
91.05463	33.1
93.07036	2.2
95.04934	8.5
95.08591	3.1
103.05449	20.9
105.06998	7.4
107.04942	21.8
107.08566	1.7
109.06511	2.6
109.10179	2.4
115.05441	3.9
117.07015	3.0
119.04924	26.0
119.08571	2.8
121.06462	3.9
122.03620	6.6
128.06178	2.0
129.07011	17.6
130.42509	1.8
131.04887	15.3
132.05678	2.4
135.04396	100.0
135.08022	9.3
137.05945	56.3
145.06465	3.9
146.07240	2.5
147.04384	10.4
148.05162	3.6
149.05945	36.2
151.03862	19.9
151.07494	12.2
152.06117	3.2
157.06506	14.4
158.07237	2.4
159.04367	3.4
160.05112	3.0
161.05954	57.1
161.09563	13.8
162.06639	2.1
163.07489	29.1
165.06937	12.6
167.08511	18.0
174.06749	6.6
175.07539	17.7
177.05441	2.4
177.06912	2.3
177.09076	1.7
178.07703	9.3
179.08490	2.0
181.06441	1.9
181.08670	2.8
185.04791	2.1
189.09067	23.6
189.32854	1.8
191.06998	2.9
193.06464	4.2
193.10136	7.0
194.07199	2.0
195.08026	26.2
195.09813	2.5
197.05969	2.0
203.05850	3.8
203.08557	4.2
206.07260	2.3
207.10170	9.8
209.06128	2.5
210.06671	1.9
217.08519	2.6
221.05965	4.0
221.09521	10.4
222.06854	2.2
223.07518	14.4
225.09114	16.8
227.10640	7.9
233.09554	2.5
234.06659	1.8
238.06133	2.0
248.08221	2.7
249.08116	2.2
251.06911	12.5
251.10664	7.0
253.08553	13.2
255.10126	7.2
263.10660	3.7
265.08435	6.6
267.06467	3.3
267.08990	31.4
276.07724	2.0
283.09570	22.6
283.12302	2.6
285.10788	60.3
291.10095	7.4
295.09570	3.4
299.11887	8.1
308.10666	1.9
311.12607	14.0
313.75543	1.9
317.12897	12.3
323.12643	9.5
329.13837	9.8
341.13739	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	358.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
57.06814	0.6
57.07070	10.2
57.82160	0.3
58.06583	1.4
59.73373	0.3
62.06072	0.4
68.05057	0.4
69.07051	0.5
70.06577	18.2
70.54174	0.3
71.08610	4.5
85.10155	1.7
88.07610	19.7
96.23360	0.3
102.09158	6.0
106.08656	9.5
250.89383	1.4
312.32327	0.3
314.34076	0.4
325.89856	0.4
340.35696	8.6
344.53418	0.3
358.36728	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	359.1335
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.03149	0.3
52.48537	0.2
53.03921	0.3
54.81195	0.3
55.01852	2.0
56.96539	0.5
57.03419	1.4
61.02903	0.7
64.32807	0.3
65.03911	1.3
67.05478	0.8
69.03408	3.3
70.06560	1.2
72.08134	0.8
72.39288	0.3
73.02898	19.7
76.55595	0.3
81.03402	0.6
83.06072	0.4
84.04465	0.4
85.02883	7.7
86.09678	0.7
91.03897	0.4
91.05448	2.2
93.03384	0.4
93.40697	0.3
95.04953	0.7
97.02853	2.4
98.97569	1.2
103.05410	0.6
105.07013	0.4
107.04932	0.5
108.02085	0.8
109.02853	0.7
110.03663	2.2
111.04428	1.5
116.98600	0.4
119.04922	3.0
121.06487	0.3
122.03629	0.6
125.05970	19.4
127.03887	0.6
129.06857	0.4
130.06491	0.6
131.04893	1.9
137.05945	10.1
141.05424	1.8
144.05673	0.4
145.04901	0.4
147.04396	5.9
149.05972	3.4
151.03879	100.0
151.04933	5.5
151.07433	4.5
152.04291	0.4
160.05141	1.2
172.05118	0.7
174.06802	0.4
175.07533	2.4
179.06989	21.1
187.07512	4.8
189.09071	0.4
194.07170	0.3
197.08051	43.0
211.07599	0.4
219.01842	0.3
219.07968	0.7
229.57089	0.3
231.07912	0.5
237.02789	0.6
247.07492	0.3
248.08307	0.7
260.90509	0.3
270.08789	0.4
271.09607	0.5
279.10120	0.5
291.10141	0.6
295.30060	0.4
311.12756	0.6
359.16663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81541	4.3
55.01869	5.7
55.05497	8.1
67.05485	52.6
69.03410	5.9
69.07047	35.5
71.04974	13.7
79.05472	39.1
79.11974	3.0
81.03381	4.7
81.07037	100.0
83.04988	4.4
83.08585	6.0
85.06551	4.5
91.05453	35.7
93.07014	39.3
95.04946	20.6
95.08598	37.1
97.06491	13.1
98.97566	5.4
99.08080	4.3
105.07018	37.4
107.04924	6.3
107.08587	19.9
109.06496	21.2
109.10143	17.3
111.08039	5.8
116.98590	6.1
117.07000	5.6
119.08540	27.8
121.06432	4.5
121.10149	19.2
123.08044	7.6
123.11692	3.4
124.09329	3.9
129.02940	3.1
131.08542	6.4
133.10098	30.0
134.99654	4.3
135.08099	4.4
135.11626	7.1
136.20143	3.9
136.21260	3.3
145.10069	7.8
147.08034	4.3
147.11662	6.7
149.13321	3.6
151.11127	4.1
157.10141	3.6
159.11638	3.3
163.11224	3.5
243.63487	3.3
245.18909	4.8
247.18341	3.3
256.55212	3.4
263.20004	33.4
309.20483	5.2
323.22125	56.7
355.01123	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	358.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.3
67.05492	48.3
69.07064	14.5
71.04958	33.1
79.05476	16.8
79.28339	12.8
81.07033	29.2
87.04441	17.8
91.05455	59.9
93.07040	29.2
95.04939	16.4
95.08592	29.1
95.37269	13.5
98.97579	13.8
100.59644	12.7
105.06969	14.9
109.10123	26.2
116.98566	25.1
119.08552	15.6
133.10129	31.2
135.04399	17.0
173.11714	19.6
216.65657	14.5
228.42683	14.8
261.81024	13.8
270.22003	15.3
358.20166	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	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.7
53.03925	2.0
55.01865	5.0
55.05502	24.1
57.03430	5.5
59.04993	2.9
64.18056	2.0
65.03938	2.9
67.05492	97.4
69.03415	4.6
69.07043	16.4
71.04980	50.1
79.05485	28.4
81.03394	2.7
81.07034	43.4
83.01349	2.2
83.04978	4.6
83.08601	18.1
85.02961	3.5
85.06527	9.0
91.05451	75.0
92.09319	4.2
93.07025	43.0
95.04945	16.3
95.08588	60.8
97.02869	3.1
97.06506	4.4
98.97559	4.3
105.07014	37.9
107.04962	4.0
107.08585	22.4
109.06493	9.6
109.09391	3.6
109.10140	100.0
111.08076	11.6
116.98598	11.0
117.07004	10.8
119.08564	41.9
119.22565	2.6
121.10151	2.6
128.06209	3.6
130.48491	2.4
131.08543	5.4
133.10103	86.0
134.99565	2.7
135.08051	4.5
137.09584	35.1
139.07495	5.0
143.08528	4.6
147.11670	4.7
149.01260	2.9
151.11154	22.2
155.10695	12.0
156.03589	2.8
157.10095	2.2
161.09589	30.6
165.09087	2.5
167.02173	3.3
169.12267	3.7
173.11732	54.9
175.11230	3.0
179.10632	26.0
183.13916	3.1
187.13293	18.4
211.13206	5.3
223.13329	3.1
273.18356	3.2
291.19513	21.8
309.20505	5.5
317.17923	2.7
322.50168	2.9
358.16251	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	358.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10490	0.2
62.06074	0.4
68.05019	0.6
69.03416	10.1
86.06054	31.3
87.04451	93.5
104.07089	100.0
122.27509	0.3
128.42325	0.3
202.94403	0.3
289.88654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01869	23.3
55.05505	93.6
57.03424	4.0
57.18844	1.5
59.04980	2.5
59.34702	1.7
60.29822	1.5
64.07972	1.6
67.05488	42.2
69.03410	8.7
69.07051	24.4
70.12165	1.9
71.04980	21.9
73.81631	1.7
79.05478	53.9
79.90894	1.7
81.03397	9.2
81.07038	77.5
82.74178	1.8
83.04957	20.1
83.08601	53.7
85.02879	3.9
90.88824	1.6
91.05465	26.6
93.07022	36.0
95.04947	19.5
95.08580	13.6
97.06521	4.3
97.10148	81.8
98.11472	1.7
98.97562	2.1
99.04459	2.7
101.09630	2.1
103.05470	2.6
105.07014	32.0
107.04933	9.7
107.08569	41.4
108.36884	1.8
109.06498	10.0
109.10144	11.9
111.04428	55.7
111.08069	11.3
117.07007	15.3
119.04972	2.0
119.08553	27.0
121.06479	11.7
121.10109	13.2
123.08048	37.5
125.09618	50.4
129.06992	3.0
131.08551	10.4
133.10124	4.3
135.04344	2.0
135.08046	9.5
135.11679	11.7
137.09601	39.6
143.08522	4.0
145.10135	17.5
147.08026	14.1
149.09583	3.7
149.50084	2.3
153.09081	11.2
153.12668	4.5
157.10120	3.9
159.11682	2.3
161.09619	7.9
163.11140	14.8
165.09077	10.1
169.64944	1.8
171.10100	2.4
181.12169	10.3
189.11246	30.4
191.10648	9.5
209.11700	2.1
223.13268	2.8
227.12718	8.2
255.17310	2.6
273.18469	21.4
291.19479	100.0
309.20505	8.5
323.22162	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	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.7
53.03925	2.0
55.01865	5.0
55.05502	24.1
57.03430	5.5
59.04993	2.9
64.18056	2.0
65.03938	2.9
67.05492	97.4
69.03415	4.6
69.07043	16.4
71.04980	50.1
79.05485	28.4
81.03394	2.7
81.07034	43.4
83.01349	2.2
83.04978	4.6
83.08601	18.1
85.02961	3.5
85.06527	9.0
91.05451	75.0
92.09319	4.2
93.07025	43.0
95.04945	16.3
95.08588	60.8
97.02869	3.1
97.06506	4.4
98.97559	4.3
105.07014	37.9
107.04962	4.0
107.08585	22.4
109.06493	9.6
109.09391	3.6
109.10140	100.0
111.08076	11.6
116.98598	11.0
117.07004	10.8
119.08564	41.9
119.22565	2.6
121.10151	2.6
128.06209	3.6
130.48491	2.4
131.08543	5.4
133.10103	86.0
134.99565	2.7
135.08051	4.5
137.09584	35.1
139.07495	5.0
143.08528	4.6
147.11670	4.7
149.01260	2.9
151.11154	22.2
155.10695	12.0
156.03589	2.8
157.10095	2.2
161.09589	30.6
165.09087	2.5
167.02173	3.3
169.12267	3.7
173.11732	54.9
175.11230	3.0
179.10632	26.0
183.13916	3.1
187.13293	18.4
211.13206	5.3
223.13329	3.1
273.18356	3.2
291.19513	21.8
309.20505	5.5
317.17923	2.7
322.50168	2.9
358.16251	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	358.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
53.58644	0.1
55.05501	0.4
57.03421	0.1
57.07090	0.1
65.00072	0.1
67.05483	0.4
68.33646	0.1
69.07046	0.2
77.03902	0.1
79.05470	0.4
80.38750	0.1
81.07022	0.6
83.08579	0.1
87.04443	0.1
91.05474	0.2
93.07011	0.5
95.04944	0.4
95.08591	0.7
96.04437	0.1
104.04965	1.6
105.07006	0.2
107.08591	0.1
109.10147	0.1
109.87014	0.1
129.09111	0.1
132.04422	100.0
133.04758	0.4
133.10089	0.1
150.05446	0.7
153.02092	0.6
164.07027	18.8
168.18828	0.1
188.95839	0.1
195.03152	1.5
207.03244	0.2
250.89337	0.4
274.89410	0.1
305.24728	0.2
326.06848	1.1
358.32614	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	357.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.7
53.03947	5.1
55.01866	36.7
55.05502	46.7
57.03439	23.5
57.07073	2.8
65.03919	4.4
67.05493	65.6
69.03424	4.9
69.06715	5.3
69.07059	98.9
71.04962	3.0
71.08620	34.0
72.34295	2.4
73.06538	3.4
79.05477	92.3
81.03403	27.2
81.07041	100.0
83.04955	22.5
83.08598	28.1
85.02900	5.1
91.05463	61.9
92.09329	2.7
93.07026	90.5
95.04945	16.5
95.08591	66.9
97.06517	29.4
97.10150	5.6
98.97599	5.6
99.04456	3.1
99.08077	22.8
101.11942	2.3
103.05431	6.3
105.06999	28.8
107.04940	13.6
107.08584	81.9
109.06522	5.8
109.10150	39.7
111.04437	12.5
111.08054	11.9
115.03893	3.5
115.05429	5.6
116.98604	3.6
117.07034	20.5
119.04895	4.2
119.08557	28.2
121.06480	10.5
121.10130	42.2
122.03640	5.0
123.08041	5.5
123.11694	13.5
125.05981	16.6
125.09615	30.7
131.08546	25.9
133.06468	3.8
133.10123	24.8
134.99635	3.7
135.04401	3.8
135.08037	18.5
135.11705	16.5
137.05966	65.8
137.09619	18.6
137.13202	2.9
138.09132	3.1
139.11211	4.5
143.07039	36.4
144.05746	2.7
145.10139	15.7
147.04419	4.0
147.08078	6.3
147.11662	11.1
149.06010	4.2
149.09593	23.3
149.13219	21.8
151.03923	3.7
151.11183	4.8
153.09091	20.6
153.12712	3.3
155.04901	3.5
159.11688	13.1
160.05174	6.3
161.05974	3.8
161.08124	13.2
161.13182	4.6
163.11086	3.1
163.14848	2.7
165.09048	5.0
165.12778	3.2
167.10654	6.4
171.11729	2.7
173.13231	3.3
177.05479	6.0
188.04701	3.2
191.10678	2.7
199.09599	3.5
201.16438	5.0
203.07028	10.6
217.75696	3.1
219.08009	3.2
219.17365	20.2
232.08606	3.4
234.06642	3.1
247.16862	25.2
249.09279	3.0
265.17908	27.2
274.97430	3.4
277.08569	4.6
303.23080	12.9
305.84619	2.8
309.10995	3.0
309.24283	5.9
321.11282	4.5
321.24200	14.3
327.11905	3.3
339.21631	15.8
339.24988	6.8
339.35330	2.6
357.23001	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	357.2994
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.61193	3.4
51.64471	3.5
55.05505	72.5
57.03399	5.1
57.07064	33.8
65.63865	3.8
67.05488	66.7
68.33263	3.6
69.07057	100.0
71.08610	9.6
79.05474	30.4
81.07036	73.2
83.08605	70.5
85.10175	5.4
91.05455	6.9
92.08676	17.4
93.07050	42.4
93.33945	3.9
95.04954	5.1
95.08584	75.5
97.06519	9.9
97.10130	28.9
107.08567	29.0
109.10130	28.7
111.08054	5.4
111.11687	8.8
121.10120	49.1
123.11807	3.7
135.11697	43.1
135.33421	4.2
149.13248	16.6
159.43985	5.0
163.14828	5.0
165.16394	5.1
240.32687	4.3
247.24217	35.8
265.25198	35.6
307.16940	3.7
339.28864	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44813	0.6
53.03931	3.5
55.01868	9.9
55.05505	30.5
57.03428	13.9
65.03933	1.1
67.05141	1.4
67.05492	37.3
69.03406	3.2
69.06712	1.3
69.07056	25.6
71.04959	4.1
72.08159	0.7
78.17319	0.8
79.05476	50.0
79.23602	0.6
81.03415	7.8
81.07040	100.0
83.04958	6.4
83.08601	19.8
90.52859	0.6
91.05457	32.7
92.08684	1.1
93.07023	36.6
95.04952	15.2
95.08005	1.5
95.08582	31.0
97.02857	5.8
97.06499	4.9
98.97536	1.2
99.08087	1.8
101.93896	0.8
103.05447	1.4
105.07009	15.2
107.04940	21.3
107.08572	16.0
109.06499	31.0
109.10146	10.6
111.04311	0.7
111.08053	3.8
113.06000	1.3
115.05384	1.4
117.06998	14.4
119.04936	0.8
119.08561	21.3
121.06488	9.4
121.10127	13.7
123.08021	8.0
125.09628	0.8
129.06960	4.5
131.04918	0.8
131.08542	16.5
133.06441	6.1
133.10144	7.7
135.08009	16.5
135.11693	1.4
137.05989	1.1
137.09612	12.4
139.11157	1.8
140.31110	0.9
141.06900	1.3
143.08611	1.7
145.06467	3.1
145.10074	7.5
147.08052	3.9
147.11642	3.0
149.09599	20.6
151.07474	1.3
151.11162	3.5
159.07970	1.4
159.11682	4.3
161.09581	1.9
163.07481	1.6
163.11154	8.3
165.09096	3.4
169.08585	4.4
169.10017	1.7
173.13248	1.1
177.09119	1.6
178.09779	0.8
185.11758	6.0
187.14767	1.0
195.78627	0.8
201.16331	1.7
211.14891	1.0
219.17384	3.6
229.15778	4.9
247.16846	16.3
265.17941	7.1
321.20538	24.2
339.21600	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10960	1.6
51.10934	1.7
51.78392	1.5
53.03934	3.5
55.01861	12.9
55.05507	39.0
56.96555	1.8
57.03419	9.3
58.32269	1.8
63.46680	1.7
65.03920	2.4
67.05492	36.4
69.03413	7.7
69.07059	28.5
71.04971	3.7
79.05479	48.2
81.03396	9.1
81.07037	100.0
83.04971	4.6
83.08610	25.7
91.05476	41.0
93.07034	44.0
95.04959	14.7
95.08595	34.6
97.02849	3.8
97.06493	3.9
98.97559	2.0
99.08141	1.9
103.05434	2.2
105.07019	25.1
107.04948	24.0
107.08551	18.7
109.06499	31.3
109.10151	11.0
111.08057	2.8
115.05470	2.2
116.98589	3.8
117.06986	12.1
119.08569	22.9
121.06493	11.4
121.10125	17.7
123.08052	8.2
127.69623	2.0
129.06964	4.1
131.04976	2.4
131.08557	20.6
133.06439	8.5
133.10100	9.3
135.08026	22.6
135.11661	3.3
137.05954	3.0
137.09590	16.5
143.08568	2.4
145.02809	2.0
145.06464	2.9
145.10129	12.6
147.08047	2.1
149.09621	25.4
151.11137	2.2
157.10063	2.2
159.11629	3.4
163.07562	4.3
163.11160	10.1
165.09105	2.6
169.08682	2.4
169.10146	2.4
177.05429	3.3
177.08994	3.1
185.11736	4.4
201.16359	4.6
211.14737	2.4
219.17274	3.1
229.15724	7.8
247.16827	20.6
265.17917	2.8
267.16983	2.2
282.14319	1.9
321.20663	21.2
339.21600	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29732	0.4
58.82047	0.4
59.44314	0.5
67.20364	0.4
76.56470	0.5
91.05457	0.8
92.09315	1.6
93.06991	0.9
95.08571	0.7
100.01562	0.5
122.03622	2.4
135.91296	0.5
137.05957	29.7
143.04916	2.6
145.06480	0.5
151.03947	4.1
151.04956	0.7
187.14781	0.5
187.91779	0.4
262.03613	0.5
327.12335	2.5
333.95667	0.7
356.07828	0.6
357.13919	4.4
357.18771	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	357.2008
Annotation	3-Methylthiofentanyl
Peak:m/z	Relative Intensity
51.61294	0.7
64.30933	0.8
64.91608	0.9
69.07056	1.3
77.38608	0.9
77.96916	3.3
79.05518	0.9
81.07025	1.8
93.06947	1.2
95.08585	1.3
107.08552	1.0
107.32159	1.1
111.75802	0.9
113.91548	1.0
116.98513	1.1
116.99255	0.9
134.99634	0.9
215.96582	0.9
229.11591	3.5
292.91492	0.9
357.20056	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	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90206	1.9
55.01869	3.2
55.05507	4.0
56.96564	2.2
57.07058	1.8
67.05491	3.5
69.07051	5.2
79.05480	19.6
81.07041	13.7
91.05466	18.5
93.07030	3.9
95.04926	5.4
95.08601	10.6
98.97601	4.1
101.62398	2.4
103.05428	11.2
105.07014	36.1
107.04920	24.3
107.08586	3.2
115.05428	24.4
116.98597	3.3
117.07001	15.6
119.04950	13.5
119.08558	3.7
121.06481	16.7
123.04414	3.1
124.05159	3.5
128.06210	24.0
129.06995	4.9
131.04907	9.7
133.06471	19.8
135.08044	3.1
135.52190	2.4
137.05978	13.7
143.04924	4.9
143.08536	22.2
144.05690	5.3
145.06497	26.1
146.07288	4.6
147.04401	35.2
147.07997	3.1
151.07506	4.9
153.05502	2.9
153.06804	2.5
157.06407	2.8
159.08090	3.7
160.08923	3.2
161.05974	21.2
161.09656	3.4
162.06728	100.0
163.03906	16.2
167.06993	33.0
171.08040	26.8
173.06000	22.8
174.06706	4.0
175.07515	18.1
175.11087	3.3
177.09111	15.5
178.06203	22.7
179.07039	8.5
181.06390	3.2
181.08588	23.4
187.07544	20.6
188.08287	62.6
193.08609	21.6
195.08002	2.6
203.10632	78.7
212.08426	3.0
213.09102	4.6
230.04387	2.6
241.08554	11.7
253.08551	3.1
269.08090	10.6
273.79312	2.5
284.10272	3.0
301.10767	5.1
316.12997	24.6
316.16226	3.3
357.16595	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	357.1695
Annotation	Juglanin A
Peak:m/z	Relative Intensity
50.67372	0.7
53.03923	0.8
54.11754	0.7
54.39579	0.8
55.01859	1.5
65.03941	0.8
67.05489	0.9
68.32451	0.9
69.07049	0.8
75.59528	0.7
78.04673	1.8
79.05468	8.9
81.07047	4.0
91.05457	17.4
93.07009	1.4
95.04956	6.0
95.08581	1.0
96.57807	0.8
98.97548	1.0
103.05446	10.8
105.07010	16.0
106.04153	3.9
107.04948	6.5
109.06516	1.0
115.05422	11.4
116.06165	1.2
117.06991	11.3
118.04147	9.5
119.04922	12.9
119.08568	1.9
120.05733	1.4
121.06468	12.3
123.04411	4.5
124.05241	1.8
125.05968	2.1
128.06195	22.8
129.06963	2.0
131.04919	6.8
131.08530	1.4
132.05666	2.0
133.06473	49.2
134.03604	4.1
134.07257	1.4
135.08028	5.1
137.05956	11.5
139.07530	2.3
141.06993	1.4
142.07742	1.1
143.04909	5.2
143.08548	23.0
144.05667	6.3
145.06482	19.8
145.10054	1.1
146.03590	2.2
146.07256	4.5
147.04395	21.3
147.08015	1.7
148.05151	2.2
148.08195	0.8
149.05998	4.6
149.09625	1.2
150.06810	1.5
151.03867	1.9
151.07521	8.5
151.94577	1.0
152.04671	4.8
152.06158	1.1
153.05376	1.1
153.06992	1.0
157.06468	2.2
159.08012	4.4
160.05190	2.1
160.08823	4.0
161.05951	24.4
161.09604	4.9
162.06726	100.0
163.03868	17.0
163.07530	4.4
164.04700	1.3
165.09081	4.9
166.06155	6.5
167.07010	46.4
170.07343	1.4
171.08006	22.3
173.05937	16.3
175.07503	13.0
175.11192	6.0
177.05502	1.6
177.09079	12.6
178.06221	33.1
179.07033	4.5
181.06699	1.6
181.08557	29.4
187.07533	19.2
188.08295	49.9
191.06990	1.0
193.08554	23.4
195.08060	6.6
195.10107	4.3
198.06703	1.6
201.09076	1.3
203.10640	66.7
209.05876	1.7
211.07539	0.9
212.08319	1.8
213.09019	6.8
223.07553	4.7
224.08302	1.1
225.09003	1.4
226.06253	4.2
237.05318	3.8
237.09026	1.5
240.07722	7.3
241.08542	14.7
250.09781	1.7
251.06993	19.5
252.07674	1.7
253.08569	1.2
255.10144	4.5
257.08163	1.4
265.12253	1.3
269.08072	12.9
270.09198	1.2
271.05777	1.1
273.11203	4.3
283.09570	7.6
284.10339	1.4
285.11185	1.7
286.08475	1.1
289.10706	1.1
301.10605	7.4
316.13019	18.6
328.12949	1.3
339.15851	3.5
357.16910	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83698	7.7
55.01867	14.0
55.05506	9.5
56.96544	16.9
57.58132	8.2
62.95683	11.3
67.05491	45.2
71.04986	8.6
79.05470	22.2
81.07025	65.8
91.05454	37.8
93.07041	14.2
95.04948	13.3
105.06998	24.7
107.04953	12.3
109.06511	13.5
119.08511	10.8
128.06149	20.7
129.96791	11.0
133.06462	43.5
142.35864	9.8
143.08513	18.8
145.06505	14.8
147.04416	12.3
151.07542	13.4
161.06007	13.6
162.06725	96.8
163.03960	15.4
163.07475	12.9
167.07007	40.2
171.07950	37.1
175.07477	14.0
178.06183	16.7
181.08632	19.6
181.94878	9.9
187.07597	20.5
188.08273	54.3
189.04425	10.6
193.08534	19.2
203.10600	100.0
269.08157	11.8
286.12103	12.8
327.15759	15.6
347.15131	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	357.1329
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
55.01849	7.3
55.05509	17.3
57.03421	2.5
57.07048	1.2
58.38186	1.2
61.38225	1.2
67.05482	16.8
69.03403	1.4
69.07063	13.7
71.08604	2.7
78.79973	1.3
79.05098	1.3
79.05470	19.1
80.32003	1.3
81.03393	6.0
81.06601	2.0
81.07034	37.2
82.57482	1.3
83.08589	10.9
91.05464	22.0
93.07018	22.3
95.04938	3.2
95.08569	12.2
97.06467	2.8
97.10143	5.6
99.08057	2.2
103.05428	2.8
105.07006	10.4
106.43293	1.5
107.04904	2.4
107.08590	23.2
109.06522	2.2
109.10098	11.1
111.04378	3.0
111.08030	3.1
115.05400	2.3
116.98603	1.8
117.06984	17.0
119.08540	10.9
121.10130	6.8
123.11694	14.9
125.05952	1.8
125.09579	3.6
129.06993	15.4
131.04875	3.1
131.08536	7.4
133.10098	6.1
135.08022	3.2
135.11647	2.4
137.05965	21.8
137.09581	2.7
138.09166	5.3
139.09425	1.4
139.11137	1.6
141.05501	1.9
144.05661	2.5
145.06459	32.0
145.10095	6.1
147.04286	1.4
147.11621	2.7
149.05939	7.9
149.09581	6.4
149.13168	1.4
151.03883	100.0
151.05003	8.1
151.07481	6.5
154.98187	1.5
157.06490	15.2
159.08002	15.2
159.11615	3.4
161.05956	2.8
162.06740	2.6
163.11136	1.8
165.08911	1.7
167.06992	2.3
171.07942	1.7
172.05150	1.7
173.05939	34.0
174.06734	6.3
177.05421	2.6
177.09076	9.9
177.12779	1.5
187.07463	16.5
187.13188	3.4
188.08197	1.8
189.07388	1.9
189.09013	14.2
190.06216	27.1
190.07782	3.2
191.08528	6.2
195.06432	1.7
201.05450	2.7
205.08534	36.6
207.08051	2.0
208.08809	2.1
215.06981	7.9
218.05711	6.4
219.07887	11.4
219.17354	3.6
221.09583	1.9
229.16003	1.6
233.08025	87.0
235.07460	3.6
236.08121	6.1
238.09842	1.6
247.07413	6.5
247.16867	8.0
251.10605	7.1
253.08600	10.4
257.22556	2.2
263.07040	2.0
264.07767	2.4
265.08429	2.9
265.18088	2.9
266.09009	1.7
268.10846	2.4
278.48456	1.3
279.10092	14.5
279.12842	1.5
280.10730	1.8
281.07993	8.8
281.11618	6.9
284.10538	1.7
296.10385	31.4
297.11145	2.7
300.10034	2.3
303.23111	2.3
307.09369	2.1
311.12701	71.6
311.16318	2.5
329.13672	7.1
339.21454	6.0
357.13214	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.352
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
50.98473	0.3
50.99233	0.3
55.05504	13.8
57.07064	1.7
58.06590	1.4
59.50504	0.3
62.06060	0.5
65.72995	0.3
67.05488	0.7
68.05018	0.4
68.22085	0.3
69.07053	11.5
70.06201	0.8
70.06573	18.5
71.08610	0.6
74.06057	0.4
79.14113	0.3
81.07049	0.7
83.08611	5.0
88.07613	21.1
89.63675	0.4
95.08606	0.4
97.10142	1.7
102.09149	5.5
106.08647	9.0
107.99207	0.4
312.32413	0.8
338.34097	7.9
356.35150	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	357.1178
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.81160	0.2
55.01872	0.2
56.96548	0.1
57.03432	0.2
63.91653	0.1
66.89787	0.1
67.05479	0.2
69.03409	0.2
70.06589	1.0
71.04948	0.2
71.06177	0.1
72.08138	0.2
78.88480	0.1
79.05468	0.5
81.07060	0.3
81.93950	0.1
84.04492	0.3
85.02886	1.0
86.09691	0.2
91.05468	1.3
94.04185	1.5
95.01314	2.2
97.02861	0.7
98.97521	0.2
99.04471	0.1
103.05434	0.8
107.04930	0.3
109.06516	0.2
111.04477	0.2
116.07086	0.3
116.98627	0.2
119.04912	1.7
122.03632	5.4
123.04386	0.1
127.03969	0.2
129.01807	0.2
131.04884	1.7
136.05119	0.2
137.05959	100.0
138.06308	0.9
139.03880	0.2
141.01852	0.6
145.02838	0.7
147.04408	0.2
149.06012	0.2
151.03870	1.8
151.07532	0.9
163.07552	1.4
177.03976	0.2
177.05347	1.0
181.08517	1.5
339.10669	0.6
357.11301	0.2
357.15201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53722	1.5
53.03932	1.5
56.96544	1.7
57.03424	2.7
61.02901	2.6
65.64131	1.6
69.03428	15.8
69.07058	2.0
70.06586	2.7
71.04991	6.1
73.02894	4.0
79.05474	6.6
80.20805	1.6
81.03383	4.1
84.08121	1.9
85.02885	21.3
86.06027	3.5
86.38410	1.6
87.04449	22.4
91.05444	10.9
95.04946	2.6
95.08615	1.8
97.02862	9.2
97.06487	3.3
99.04404	3.8
99.68801	1.7
103.05421	8.0
104.07093	12.0
105.06986	8.4
107.04932	2.2
109.02823	8.4
110.07121	2.7
113.05959	3.6
115.05523	2.3
117.05748	29.5
119.24244	1.7
120.08086	7.7
123.06719	2.0
123.08026	2.1
127.03894	2.7
130.06473	5.9
131.04881	6.8
131.07053	8.3
132.05258	1.7
132.08057	27.1
133.05219	13.5
134.05959	4.2
137.05994	2.2
137.08316	3.4
141.05453	8.9
141.78259	1.9
147.06749	4.3
148.07555	82.9
150.05472	13.9
152.07082	2.1
156.07654	2.1
159.06544	3.1
160.07562	8.3
164.07002	2.6
166.08577	25.5
176.07033	77.0
177.07584	3.8
187.06790	1.6
194.08104	77.7
194.10072	5.9
338.12271	2.3
356.13290	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	356.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84352	26.4
67.05479	41.9
69.07050	29.7
81.13170	24.5
88.07585	36.6
92.08657	26.2
98.97598	33.4
121.10162	29.2
121.81471	31.5
131.08463	31.4
135.04405	31.8
146.54372	26.3
165.81375	25.9
181.35194	25.1
297.99167	29.2
315.07169	40.9
338.17523	54.9
350.81625	29.6
355.33826	34.1
356.18683	60.5
356.34100	100.0
370.55209	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.35368	0.7
53.00290	1.1
53.03930	1.5
55.01858	1.3
55.05507	28.3
57.03428	9.0
57.07071	12.0
64.64725	0.7
65.03899	1.0
65.65752	0.8
67.05495	89.0
67.77835	0.7
69.07059	33.0
69.18835	0.8
71.04980	1.1
71.08608	3.9
75.04454	0.9
79.05063	1.2
79.05483	27.4
81.07041	100.0
83.04932	0.9
83.08604	21.3
83.45284	0.8
85.06516	1.2
85.10168	0.9
89.32884	0.9
91.05464	22.9
93.07024	32.5
95.04944	1.1
95.08589	87.8
97.06530	7.1
97.10153	11.0
98.97562	1.5
99.08062	3.3
105.07021	15.5
107.08570	18.7
109.06513	1.4
109.10149	34.5
111.11688	1.5
116.98600	2.0
119.08561	14.8
121.10132	19.3
123.07998	1.0
123.11689	16.0
133.10098	12.8
134.99628	1.1
135.11684	9.7
137.09544	0.8
137.13242	7.3
141.12679	1.0
147.11690	9.6
149.13242	7.1
151.14777	1.5
161.13235	8.8
163.14795	6.4
165.16370	1.7
175.14778	6.0
177.16473	0.9
179.17885	1.9
189.16321	1.5
212.23744	0.8
245.22597	19.5
263.23676	31.8
290.94699	1.2
337.27267	23.7
355.28238	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	356.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16667	0.4
55.01864	0.5
57.03433	3.1
59.04990	16.9
59.05267	1.0
60.04510	1.1
61.02906	1.3
64.33521	0.6
64.88943	0.5
67.05502	1.0
69.03413	4.7
69.07052	8.9
70.06571	0.9
71.04976	1.0
72.08133	3.6
72.21319	0.5
73.02897	0.7
75.04459	0.6
81.03394	4.5
84.08150	1.0
85.02892	8.1
86.06058	2.8
86.09689	100.0
87.04473	1.1
92.09411	0.7
95.01305	9.7
95.04977	1.2
95.08625	0.6
97.02859	2.3
98.06035	1.3
99.04446	2.7
101.05995	84.8
103.03908	0.7
109.02890	1.0
110.07170	2.0
111.04457	0.7
113.02369	1.4
113.06020	0.7
115.03915	0.7
116.07091	1.2
117.05509	0.7
118.07793	1.4
118.08632	36.6
123.04366	1.1
129.01842	1.1
132.10178	32.0
134.08124	4.2
136.06177	0.8
141.01810	4.6
141.05472	2.5
152.09189	1.3
159.06494	1.3
164.07034	0.7
176.09178	3.6
177.03946	5.5
177.07564	2.4
192.06488	0.6
193.00458	0.6
194.08408	1.1
194.10234	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03931	0.9
55.01865	2.0
55.05269	1.5
55.05508	31.9
56.93092	0.8
57.03415	6.3
57.06837	1.1
57.07070	14.3
66.86098	1.0
67.05497	84.9
69.07056	29.4
71.04972	2.0
71.08601	5.6
73.74130	1.0
76.54728	0.9
79.05478	29.2
81.07043	100.0
82.64039	0.9
83.04948	2.5
83.08607	19.2
85.06535	1.8
91.05463	21.7
92.09320	1.1
93.07031	26.3
95.08588	78.9
97.06528	6.5
97.10150	8.2
99.08045	1.0
105.07021	16.6
107.08580	15.8
109.09481	1.9
109.10149	31.9
119.08562	11.9
121.10133	16.6
123.08054	1.6
123.11676	11.3
133.10121	15.9
135.11703	8.0
137.13245	5.3
147.11650	8.3
149.13246	2.6
161.13205	10.2
163.14801	6.3
165.16414	1.6
175.14793	5.7
179.17972	1.7
188.45967	1.2
189.16318	1.7
193.83905	1.1
203.18021	1.4
245.22624	16.2
263.23621	21.5
337.27402	17.0
355.28445	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	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01847	3.4
55.05506	83.3
57.03426	35.6
57.07062	9.1
61.70738	2.4
67.05148	3.0
67.05495	81.6
69.07057	70.2
71.04972	3.1
79.05481	31.6
81.07039	100.0
83.04991	3.4
83.08608	41.7
85.06517	3.1
86.78347	2.1
91.05447	24.8
93.07006	31.3
94.07336	2.5
95.04941	4.5
95.08590	71.7
97.06509	3.8
97.10144	22.9
98.97581	10.4
105.07006	9.8
106.80196	2.6
107.08564	17.3
109.10150	27.9
111.08028	4.2
111.11716	3.5
116.98594	9.5
119.08507	4.9
121.10104	13.1
123.11691	4.7
131.08542	3.3
133.10104	9.8
134.99606	6.1
135.11601	4.7
147.11604	3.3
149.13297	3.8
161.13268	2.8
193.04919	3.5
290.94540	4.3
301.46973	2.3
337.27271	4.1
346.18344	2.6
355.28375	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22509	2.0
53.00283	2.3
53.03929	2.3
55.01852	10.8
55.05504	42.9
56.96553	2.3
57.03426	3.6
60.29146	2.0
60.29553	2.0
64.33183	2.0
67.05492	63.7
67.19910	2.2
69.06676	3.2
69.07056	82.9
71.04969	5.3
79.05474	39.8
81.07035	90.7
83.04980	8.8
83.08598	29.7
85.06559	4.8
88.07611	2.6
91.05473	14.1
93.07018	59.6
95.08585	100.0
97.06519	13.7
97.10194	3.9
98.97587	3.6
105.07021	5.6
107.08559	21.4
109.10137	49.3
111.08110	3.5
111.11732	2.3
116.98585	3.1
119.08580	11.8
121.10120	32.5
123.08036	2.1
123.11703	5.1
131.08569	9.8
133.10114	11.1
134.99628	4.7
135.11707	9.7
139.11145	10.9
145.10088	8.2
147.11667	4.4
149.13248	3.0
159.11713	3.4
173.13245	2.7
209.96030	2.1
215.17868	5.6
215.57466	2.2
233.19023	19.5
251.19986	90.7
269.21075	33.4
290.94928	3.6
337.27267	5.1
355.33908	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	355.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	13.1
57.07058	7.8
67.05491	37.5
69.07054	13.6
71.45432	3.3
79.05478	12.7
81.07033	43.2
83.08620	12.5
83.20612	2.7
91.05466	15.2
92.08670	10.3
93.07011	12.6
95.08569	28.0
97.10151	4.1
105.07018	5.5
107.08578	5.1
109.10170	5.7
112.95935	3.2
114.53175	3.8
119.08573	4.6
121.10132	4.3
130.35500	3.1
133.10068	5.8
135.11621	4.9
143.20502	3.3
147.11627	3.8
161.13208	4.5
165.16405	5.9
245.22661	3.8
263.23654	7.5
337.27310	4.9
355.28149	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	355.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.05505	75.8
57.03415	3.3
64.43289	2.3
67.05496	24.1
69.03413	10.6
69.07053	34.1
71.04971	4.2
79.05476	25.9
79.12230	2.5
81.07037	44.9
83.04957	4.7
83.08609	3.9
85.02885	3.6
85.06533	3.0
87.04445	2.7
91.05472	35.0
93.07009	49.2
93.07497	3.4
95.04947	12.0
95.08581	27.3
95.23601	2.5
97.06519	3.9
97.10147	100.0
98.97559	5.4
105.07012	71.7
107.08583	36.5
109.06498	5.3
109.10138	25.8
111.08101	4.0
116.98608	4.4
117.06940	4.0
119.08579	33.7
121.06514	4.9
121.10109	36.7
123.08031	9.3
123.11682	5.8
125.09616	13.6
131.08543	17.1
133.06398	3.0
133.10106	85.9
133.11043	4.8
135.11684	12.5
136.47922	2.8
137.09584	17.9
142.07748	4.4
143.10693	12.8
145.10097	13.2
147.08034	2.8
147.11661	18.8
149.09665	4.5
149.13318	4.6
151.11166	4.7
157.10092	4.9
159.11653	5.4
161.13255	2.7
171.11729	4.3
173.13364	2.7
175.11157	13.8
175.14842	4.3
185.13274	4.2
193.15857	16.9
255.21016	3.8
290.94382	3.0
301.21497	15.3
318.35687	2.9
319.22528	4.0
323.14374	2.9
355.17258	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05502	30.2
57.03413	7.5
57.07057	10.5
57.46638	1.3
65.03911	1.7
67.05495	98.7
69.07059	32.3
71.08614	6.8
78.13342	1.5
79.05479	27.7
81.07042	100.0
81.82124	1.7
83.08605	21.1
84.55024	1.4
85.06591	1.5
88.07621	2.2
91.05473	22.5
93.07022	32.2
94.11259	1.5
95.08585	84.1
97.06522	7.3
97.10133	9.8
97.61363	1.5
97.81849	1.5
98.97559	3.5
105.07033	14.2
107.08569	20.6
109.10156	31.0
111.11755	2.0
116.98603	3.6
119.08553	13.9
121.10117	18.2
123.11720	11.4
133.10115	13.4
134.99655	6.3
135.11679	7.4
137.13234	1.8
147.11688	12.6
149.13263	7.1
151.14825	2.0
161.13266	8.7
161.33464	1.5
163.14798	7.1
165.16296	1.8
170.60489	1.6
175.14796	9.1
189.16347	2.2
191.52864	1.8
216.43637	1.6
245.22549	24.7
263.23636	26.8
337.27271	26.3
355.34012	2.7
379.96713	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
54.17169	1.2
55.01871	1.5
55.05507	20.8
56.05030	0.9
56.39794	0.9
57.03426	2.1
57.07058	0.9
58.06588	0.8
59.04362	0.9
59.18968	0.9
60.52346	0.8
61.01136	1.5
61.02922	1.3
61.34771	0.9
61.57937	0.9
65.03931	1.8
67.05497	44.1
69.03422	15.8
69.07058	12.0
70.06570	1.0
71.04985	2.0
72.08143	2.3
79.05475	11.0
81.03407	4.4
81.07043	31.1
83.04965	22.3
83.08631	1.7
84.04513	1.4
84.08136	1.1
85.02905	9.5
85.06523	1.0
91.05463	12.1
92.09281	2.1
93.07034	19.3
95.04951	11.7
95.08589	90.3
97.02879	5.7
97.06507	2.1
98.97568	2.1
99.04408	2.1
99.08067	4.4
103.05460	1.0
105.07013	10.9
107.04948	1.7
107.08570	11.3
109.02815	1.4
109.06513	4.9
109.10146	30.7
111.04397	1.3
111.08072	2.1
115.05419	1.1
116.98614	1.9
119.04940	1.8
119.08562	18.2
121.06524	1.3
121.10129	7.5
122.06017	1.1
123.08052	6.3
123.11691	1.8
127.03917	4.7
131.04898	2.1
131.08556	2.2
133.10115	16.4
134.99626	2.0
135.08015	4.5
135.11676	8.9
137.06003	7.4
137.09599	100.0
138.06345	1.4
139.11166	1.4
145.10074	4.2
147.04399	5.1
147.07968	1.3
147.11655	2.3
149.13269	1.4
154.78871	1.0
162.09496	1.0
173.13263	1.2
173.98541	1.0
175.11121	1.3
175.14790	17.5
179.10687	2.0
189.09102	1.3
193.09756	1.7
193.14244	1.9
193.15851	23.3
235.16876	4.1
303.17154	1.1
319.19058	1.3
337.19806	1.1
355.17151	1.7
355.21222	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.01870	23.1
55.05503	19.5
56.96561	2.8
57.03426	33.3
67.05492	56.0
67.12955	2.1
68.08553	2.4
69.03399	5.6
69.07053	100.0
71.04975	3.2
73.06534	3.3
74.26527	2.2
75.49248	2.6
78.34804	2.5
79.05005	2.7
79.05473	74.5
81.03395	31.6
81.07041	98.2
83.04961	11.8
83.08598	2.7
85.02892	18.3
86.52169	2.3
88.93783	2.3
91.05452	66.6
93.07013	51.3
95.04937	23.0
95.08592	37.6
96.08662	2.3
97.06519	25.2
98.97543	3.0
105.07001	31.5
107.04939	16.6
107.08571	47.5
109.06500	16.5
109.10128	21.5
111.04431	10.2
111.08042	5.9
116.98581	3.5
117.07001	12.3
119.08569	46.4
121.06471	6.1
121.10126	18.7
121.87232	2.7
123.08047	35.6
125.05993	5.7
125.09599	31.6
129.06987	13.7
131.08546	20.8
133.06464	5.2
133.10110	15.3
134.99675	3.5
135.08022	18.0
137.05957	11.2
137.09589	25.3
143.06998	37.3
143.08578	9.8
145.10120	10.7
147.08040	15.0
149.09610	11.8
153.09085	23.5
154.66238	2.5
157.10088	11.3
159.11630	3.1
161.05937	24.9
161.08066	5.2
161.09515	3.2
163.11113	3.0
165.09059	12.5
173.13225	3.0
175.07599	9.5
181.08540	3.0
199.14845	10.3
217.15926	17.1
245.15294	15.6
249.09212	2.7
262.06311	2.9
263.16364	19.1
277.08603	4.3
283.06052	4.2
311.12610	5.0
337.20059	18.9
355.21054	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18968	0.7
53.03936	3.7
54.81217	0.8
55.01868	1.6
55.05505	15.9
56.32155	0.7
56.38494	0.7
56.96536	1.5
57.03415	1.6
57.07053	1.4
59.04984	1.3
60.28160	0.9
61.02914	1.6
67.05492	47.9
69.03416	15.8
69.07054	9.5
70.06564	1.5
71.04963	4.3
72.08116	4.3
73.03374	0.8
79.05473	9.5
81.03399	2.3
81.07043	29.0
83.04968	21.1
83.08596	1.5
84.04488	5.3
85.02881	7.5
85.06545	1.2
91.05466	11.2
93.07028	22.4
95.04938	15.9
95.08582	100.0
97.02893	3.7
97.06484	4.4
97.10123	0.9
98.97578	1.7
99.04447	2.0
103.03934	0.9
103.05471	1.2
105.07017	10.3
107.04951	1.3
107.08580	13.1
109.06511	7.9
109.10138	34.1
111.08067	4.7
116.98539	0.9
117.07001	1.5
119.04926	1.5
119.08565	16.0
121.06493	1.7
121.10126	10.8
123.08033	4.9
123.11655	2.1
127.03890	2.2
131.04898	1.2
131.08537	2.1
133.06477	1.4
133.10107	10.6
135.08022	7.2
135.11688	8.3
137.09596	99.8
139.11163	1.2
145.10077	1.7
147.04381	4.1
147.11635	1.5
147.30055	1.1
155.04573	1.2
157.10077	1.0
157.68449	1.1
159.11598	1.2
161.09615	1.3
165.09114	1.5
175.14796	15.3
179.10649	1.3
184.81749	0.9
191.10645	1.0
193.15845	24.1
195.01115	1.0
197.01266	1.1
217.15840	1.4
235.16858	5.2
237.04292	5.2
239.05925	2.2
242.04594	6.0
257.06876	7.0
260.05627	4.7
312.89127	1.0
319.19135	1.5
355.10580	3.9
355.21008	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	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81559	0.4
55.05501	0.4
57.03419	0.7
61.02916	22.5
63.68929	0.4
64.98678	0.3
67.05500	0.4
69.03393	1.5
69.07045	1.8
79.05473	52.6
81.03384	0.9
83.04925	0.7
85.02889	6.0
86.14368	0.4
91.05439	2.0
93.07024	40.7
95.04940	2.4
95.08614	0.6
95.72251	0.4
97.02861	2.0
97.06512	26.4
111.08074	0.9
118.96698	0.5
121.06490	12.8
139.07520	100.0
139.11150	2.5
157.08574	33.2
157.12122	0.5
175.09627	20.1
219.42101	0.4
347.99695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05508	22.3
57.05803	3.5
57.07065	27.9
58.02945	4.2
58.06596	25.5
60.04504	2.5
67.05485	11.5
69.07058	42.8
70.02937	2.1
70.06567	17.0
71.04974	2.4
71.08603	11.8
71.88374	1.7
72.04494	3.9
72.08107	1.6
74.06061	3.0
79.05479	3.3
81.07042	25.5
83.08593	19.4
84.08118	10.0
85.10153	7.7
86.06055	7.5
87.91527	1.8
93.07040	2.0
95.08590	30.8
97.10139	15.0
109.10148	13.1
116.49376	1.9
123.11701	7.1
130.38174	1.7
138.88484	1.8
142.50267	1.7
155.19122	1.9
294.31528	2.9
306.31519	3.8
307.29834	2.6
308.33054	8.6
326.34146	9.9
336.32401	16.9
354.33621	100.0
363.10760	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07037	1.5
62.98220	1.1
66.46160	1.0
67.05476	2.6
69.07039	1.7
75.90740	1.0
77.96926	7.4
81.07037	2.2
91.05457	2.4
92.28405	1.2
93.06992	1.5
95.08588	1.9
103.98507	1.8
116.99281	2.7
227.10147	6.5
229.11711	2.6
236.12160	1.4
285.10699	2.4
318.10031	1.5
355.18488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88065	0.7
55.05502	1.1
62.01145	0.7
64.75238	0.7
67.05493	4.9
67.34217	0.8
67.48025	0.7
69.07052	1.2
79.05476	2.1
81.07042	7.0
84.81158	0.9
91.05441	1.4
93.07013	1.9
94.15140	0.8
95.08589	4.5
97.58787	0.8
105.07028	1.1
107.08609	1.6
109.10091	1.2
116.98679	0.9
171.26622	0.8
247.22740	0.9
353.30191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.2
57.03430	4.8
57.07067	4.2
67.05492	100.0
69.07047	15.0
71.04970	3.7
79.05479	59.9
81.07045	95.8
82.20062	2.6
83.08619	10.2
91.05471	26.8
92.09275	5.8
93.07028	64.4
95.04911	3.1
95.08593	62.8
97.06524	3.2
97.10162	3.5
105.07009	16.1
107.08598	42.6
109.10154	34.1
117.06998	5.7
119.08597	13.4
121.10121	45.5
123.11708	11.2
131.08528	33.0
133.10149	13.3
135.11650	31.8
137.13252	3.3
145.10126	13.3
147.11682	5.1
149.13248	18.4
159.11737	6.6
161.13202	3.5
163.14810	6.4
173.13266	13.7
182.47870	2.6
243.21098	19.0
261.22064	55.8
274.29343	2.8
335.25723	4.6
353.26797	18.6
353.35202	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	1.9
53.13512	0.9
55.05501	18.9
57.03424	9.6
57.07078	1.9
57.42330	1.0
61.75007	1.0
63.00175	0.8
64.89756	1.1
64.91039	0.9
65.03922	1.2
67.05492	94.3
69.07059	14.1
71.04967	2.2
73.00626	1.0
79.05475	54.3
81.07038	100.0
83.08615	5.9
85.06544	1.4
89.31007	1.0
91.05463	23.5
93.07024	52.4
95.04949	2.0
95.08587	67.6
95.75964	1.2
97.06519	2.3
105.07020	18.9
107.08586	39.4
109.10147	30.6
117.06998	7.9
119.08545	10.4
121.10120	24.5
123.11690	12.2
127.63927	1.2
131.08540	18.0
133.10109	10.9
135.11664	23.7
137.13217	2.5
139.14270	1.0
145.10149	9.7
147.11690	8.1
149.13229	13.3
159.11703	7.7
161.13245	6.9
163.14815	6.3
173.13261	5.7
175.28499	1.0
177.16444	1.5
187.14835	5.5
237.73302	1.1
243.21060	12.3
261.22086	37.4
278.42230	1.2
285.45261	1.1
335.25620	9.7
353.26822	10.5
362.80154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03926	2.3
55.05506	17.2
57.03431	8.4
57.07071	4.0
60.93785	0.5
65.03918	2.8
67.05493	100.0
69.07054	15.1
71.04973	1.3
71.08617	0.7
75.04473	0.5
79.05478	44.4
81.07041	97.5
83.04960	0.7
83.08617	6.1
85.06513	2.1
90.51355	0.6
91.05466	19.3
92.09246	0.8
93.07026	60.1
95.04961	3.9
95.08588	68.1
95.93330	0.5
97.06504	3.8
97.10137	2.5
99.08034	0.8
105.04508	0.8
105.07009	17.7
105.07665	1.1
105.17959	0.6
107.08578	35.7
109.06506	0.9
109.10139	30.9
111.07957	0.5
117.06999	7.2
119.08563	12.2
121.10125	27.6
123.08025	1.2
123.11695	12.3
131.08546	16.9
133.10104	10.7
135.11668	17.9
137.09555	0.9
137.13213	3.4
145.10095	11.3
147.11681	8.3
149.09665	0.6
149.13232	14.2
159.11678	7.8
160.45959	0.6
161.13240	8.2
163.14784	8.3
173.13242	9.6
175.14789	2.5
177.12686	0.7
177.16380	3.6
179.14299	1.0
187.14789	7.2
191.14311	0.7
201.16418	1.3
215.18094	0.8
219.17380	0.7
227.30548	0.7
233.22600	1.0
237.13464	0.7
243.21007	15.0
261.22086	44.3
279.23141	3.5
335.25674	10.3
353.26831	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.00284	0.8
53.03927	1.0
54.81435	0.8
55.01870	1.1
55.05503	20.7
57.03416	5.7
57.07057	6.6
61.56604	0.9
65.03933	1.7
67.05492	100.0
69.07055	14.5
71.04970	1.7
72.63729	0.9
75.94683	0.9
79.05472	64.3
81.07038	95.6
83.08600	8.6
85.06516	1.3
85.50492	1.1
91.04900	1.0
91.05462	29.5
93.07022	74.3
94.45516	1.0
95.04949	4.1
95.08585	71.0
96.12206	1.2
97.06510	3.9
97.10171	2.4
99.08055	1.4
105.07022	19.0
107.07857	2.1
107.08578	45.1
109.06478	1.5
109.10139	35.4
117.06999	11.3
119.08551	16.6
121.10115	35.2
123.08055	1.2
123.11662	11.6
125.09607	1.2
131.08543	26.0
133.10110	14.5
135.11667	25.2
137.13206	4.7
139.52155	0.9
145.10103	13.7
147.11647	10.2
149.13217	15.5
159.11636	12.2
161.13263	9.4
163.14804	9.4
165.12814	1.4
173.13243	14.1
175.11172	1.0
175.14749	2.3
177.16344	4.0
187.14888	7.7
243.21046	20.1
261.22073	59.3
279.23083	1.4
335.25766	9.2
353.26807	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08058	0.6
53.03942	1.6
54.81895	0.8
55.01867	1.2
55.05505	16.6
55.82058	0.8
57.03425	5.9
57.07066	5.4
59.44314	0.8
59.98380	0.7
65.03926	1.8
67.05489	95.0
69.07056	15.5
71.04974	1.0
71.08624	0.9
79.05476	56.7
81.07036	100.0
83.08589	7.1
83.53783	1.0
85.06526	1.4
91.04891	1.7
91.05456	33.6
91.06003	1.5
93.07022	73.9
95.04945	4.1
95.08583	70.8
97.06514	3.8
97.10125	1.5
99.08108	1.0
105.07013	21.7
107.08575	41.1
109.06478	1.5
109.10143	32.0
111.08059	1.0
113.09648	0.9
117.07007	9.7
119.08564	18.6
121.10112	31.2
123.08026	1.2
123.11664	14.7
131.08540	25.4
131.09462	1.6
133.10112	13.3
135.11658	25.5
137.13234	3.7
143.59296	0.9
145.10106	19.2
147.11702	9.8
149.13248	19.0
151.14809	1.4
159.11670	13.6
161.13210	10.1
163.14786	9.9
165.12733	1.2
173.13202	13.4
175.14810	5.0
177.16287	2.2
179.14281	1.5
187.14815	8.4
201.16347	2.2
215.17906	1.2
233.22607	1.7
243.21049	18.1
260.09238	0.9
261.22079	61.5
279.23013	2.0
335.25800	8.0
353.26752	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.41881	1.7
54.81619	2.1
55.05504	24.4
57.03421	2.2
57.07046	2.5
62.76755	1.9
67.05144	3.8
67.05490	88.1
69.07050	14.9
75.06758	1.9
79.05469	59.7
79.36482	1.9
81.07038	100.0
83.08607	4.8
91.05452	24.3
93.07019	66.5
95.04949	3.0
95.08584	65.8
95.18726	2.2
97.10130	2.5
98.97542	2.0
99.08092	2.3
101.26410	2.0
105.07015	17.0
107.08582	39.5
109.10136	22.4
116.85422	2.0
116.99263	3.2
117.06992	3.9
119.08547	11.6
121.06428	2.2
121.10123	30.0
123.08051	2.5
123.11697	8.9
131.08565	20.5
133.10139	3.9
135.11685	20.6
136.82480	1.8
137.13261	3.4
145.10069	15.3
147.11658	8.1
149.09688	2.4
149.13266	11.6
159.11705	10.2
161.13293	3.9
163.14810	10.1
170.84985	2.0
173.13216	11.9
177.16374	2.8
187.14755	4.2
192.50514	2.1
243.20981	24.1
261.22055	49.5
271.09039	2.5
323.06268	2.7
326.03262	2.3
335.25662	10.0
353.17007	35.2
353.26846	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	1.9
55.01860	1.1
55.05502	15.9
57.03438	6.8
57.07063	5.1
57.84291	0.6
57.87546	0.7
65.03924	1.8
67.05492	100.0
69.07053	14.6
69.82057	0.7
71.04992	1.2
71.08624	1.0
75.04473	1.1
79.05003	1.0
79.05475	47.7
81.07039	99.7
83.04980	0.9
83.08612	6.9
85.06521	1.8
86.27579	0.8
87.92849	0.7
91.05462	22.3
93.07024	59.1
95.04959	4.4
95.08586	74.2
97.06512	1.9
97.10169	1.9
99.08088	0.9
104.91254	0.7
105.07011	17.8
107.08580	43.9
109.06491	3.2
109.10136	30.7
117.07014	9.9
119.08572	13.6
121.10122	31.3
123.08046	1.6
123.11694	12.7
131.08545	19.1
133.10097	12.2
134.38068	0.8
135.07951	0.8
135.11684	21.4
137.09595	1.0
137.13228	5.1
145.10107	14.7
147.11703	8.5
149.13263	16.6
151.14880	1.6
157.10123	0.9
159.11690	9.8
161.13220	9.7
163.11186	0.9
163.14810	10.7
165.12790	1.3
173.13213	13.3
175.14850	3.2
177.16353	3.4
187.14761	5.9
233.22482	1.4
243.21011	17.1
261.22083	51.9
269.43701	0.9
279.23166	3.4
314.22095	0.9
335.25754	11.2
353.22592	1.1
353.26782	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	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.5
53.15171	0.7
54.97754	0.5
55.05516	4.6
56.66005	0.6
57.07073	6.0
59.04984	1.1
67.05493	6.9
69.03428	2.9
69.07055	14.6
71.04985	13.1
71.08610	0.9
81.03409	1.5
81.07047	11.0
83.08611	3.2
85.02922	5.3
85.06550	1.2
85.10176	3.9
89.06015	7.1
91.05460	1.1
92.09341	1.7
93.07004	1.5
95.08589	93.7
97.02890	0.9
97.10156	12.8
99.08081	10.2
100.11269	0.7
107.08598	1.0
108.09450	0.6
109.10164	2.7
111.11700	8.7
113.09634	100.0
119.08583	0.7
131.08553	1.3
137.13240	21.5
147.04375	0.8
155.14282	8.0
157.76802	0.7
171.36011	0.6
173.13161	2.4
173.15353	37.2
191.16403	17.3
280.49945	0.7
344.72067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87083	0.5
53.03931	0.6
53.48211	0.6
54.61591	0.5
55.05506	7.2
57.03435	0.7
57.07070	6.0
58.25173	0.5
59.04981	1.2
61.02899	0.7
67.05503	6.0
69.03417	3.4
69.06718	0.9
69.07059	17.7
71.04981	12.9
71.08607	1.1
79.05480	1.1
81.03417	1.0
81.07046	13.1
82.97495	0.6
83.08612	1.3
83.27310	0.5
85.02887	5.8
85.06528	1.2
85.10155	3.2
89.06014	5.1
89.06502	0.6
93.07019	2.6
95.08588	99.4
97.02885	1.6
97.10146	12.1
99.08068	9.9
105.07019	0.9
109.10134	4.1
111.11698	8.6
111.65246	0.6
113.09631	100.0
119.08551	0.8
132.13124	0.7
137.05968	0.9
137.13240	23.2
155.14311	6.9
173.15349	35.4
191.16399	21.4
289.75031	0.7
304.44031	0.7
353.15466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2294
Annotation	15-keto-PGE1
Peak:m/z	Relative Intensity
54.81786	0.5
62.01328	0.6
64.33634	0.7
67.05491	0.8
78.45067	0.6
81.07018	0.9
95.45998	0.6
135.11621	0.8
148.40715	0.6
202.30206	0.7
255.15848	0.7
314.20749	0.8
353.22925	100.0
354.23349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81159	0.5
55.05505	6.4
57.03433	0.5
57.07059	6.2
59.04987	2.9
59.27706	0.4
65.50695	0.4
67.05499	7.8
69.03410	2.9
69.07057	19.6
70.06567	0.7
71.04982	14.7
71.08604	0.9
77.90853	0.5
80.01022	0.5
81.03388	0.8
81.07039	12.0
83.08599	2.3
85.02899	5.7
85.06540	2.5
85.10182	4.6
88.54844	0.5
89.06020	6.2
91.05470	0.5
93.07050	1.2
95.04986	0.6
95.08588	100.0
97.02901	1.0
97.10148	14.9
99.08081	10.0
101.96246	0.5
105.07043	1.0
107.08553	0.7
109.02903	0.5
109.10175	1.2
111.11712	10.7
113.09631	93.2
117.07026	0.5
117.51666	0.5
119.08634	0.6
121.10116	0.9
127.03913	0.8
137.13231	20.1
137.14229	1.0
138.13663	0.6
145.10152	0.6
155.14320	6.3
158.72670	0.5
173.15341	32.3
191.16379	17.6
233.06067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96189	0.3
65.03925	3.5
67.05507	0.4
79.05480	4.4
81.03379	0.5
81.07077	0.4
91.05466	94.7
92.05811	0.3
92.08681	0.7
93.07007	0.3
95.04958	0.9
104.94722	0.3
105.07036	0.7
107.00468	0.8
107.08612	0.4
108.01260	6.7
114.51099	0.4
119.08586	0.4
133.10158	0.4
136.42151	0.4
173.02925	0.3
183.03560	14.5
184.04292	4.0
185.05125	7.8
205.88309	0.4
219.05617	0.8
261.08215	16.8
262.09012	5.9
266.08743	0.5
293.07245	2.9
294.07990	21.5
295.08533	0.4
352.28659	0.4
353.14481	100.0
353.23160	2.6
354.14835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.0
55.05499	7.1
57.03430	12.2
57.07055	3.6
57.50750	1.7
61.02905	11.3
64.81018	1.4
67.05490	8.4
67.95922	1.4
68.98817	1.5
69.03412	22.6
69.07059	12.1
70.06561	2.7
71.04969	2.7
72.08141	2.5
73.02908	4.2
73.66095	1.5
78.09267	1.4
79.05470	10.2
81.03400	11.2
81.07031	22.8
84.04463	1.8
84.08149	2.3
85.02888	75.8
85.03293	2.7
85.06512	3.7
87.04472	2.3
89.46476	1.6
91.03946	2.2
91.05455	24.1
93.07014	15.2
95.04945	4.2
95.08585	30.7
96.05241	1.8
97.02868	29.4
105.07007	61.6
107.08568	21.5
109.02866	2.8
109.10150	2.2
111.04448	2.1
117.07005	13.4
119.08548	72.1
121.06496	3.1
121.10090	3.2
123.08067	2.2
127.03886	9.3
129.06987	9.8
131.08536	100.0
133.10101	30.1
135.08044	8.1
137.05952	4.4
137.13226	1.9
143.08508	14.2
144.09344	7.9
145.04921	10.0
145.10097	22.9
147.04347	2.9
147.08018	6.7
147.11623	12.5
156.09311	4.1
157.10101	3.8
158.10902	12.5
159.11679	10.0
161.13235	21.4
163.14766	2.4
171.11679	11.2
173.13220	81.6
175.14777	70.9
182.11057	2.3
185.13193	12.4
191.14281	15.4
203.14272	14.7
215.14262	3.2
221.15347	3.1
281.15353	1.9
287.16336	3.6
301.73810	1.6
317.17505	2.3
335.18454	3.8
353.19608	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	352.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54348	3.5
55.01865	5.5
55.05500	5.6
55.39992	3.5
57.03424	4.2
57.07062	16.2
65.86756	3.2
67.05489	49.6
69.07049	6.4
69.51617	3.8
70.23026	3.4
71.05009	4.4
71.08640	4.7
75.95148	5.0
77.54849	3.2
79.05471	56.1
81.03394	6.1
81.07037	78.0
83.04927	6.1
83.08579	6.0
89.06025	36.0
91.05458	75.7
93.07019	100.0
95.04960	26.0
95.08584	21.8
97.06525	25.5
103.05428	4.8
105.07014	25.3
107.04915	13.7
107.07022	4.3
107.08599	7.0
109.06485	18.0
111.08046	5.5
117.06995	42.3
119.08567	16.3
119.32170	3.9
121.06496	44.1
121.10075	4.0
129.06947	8.0
131.08533	55.0
131.09320	3.9
133.08589	15.7
133.10159	19.0
135.08038	8.7
135.11653	9.0
141.06966	30.1
143.08577	8.1
145.06517	5.5
145.10117	18.6
149.09637	5.0
151.07993	3.7
159.11690	68.2
159.32907	3.6
161.09689	5.7
166.67955	3.6
169.10146	30.1
177.12703	31.2
187.11137	40.2
195.12306	19.4
205.12193	59.6
282.12552	3.8
305.02628	3.9
375.25574	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	353.0844
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
50.35228	2.2
63.92494	2.5
64.33199	2.4
69.03408	4.1
70.75446	2.1
76.55925	2.6
77.65263	2.5
85.02878	4.4
102.26411	2.4
138.45744	2.6
175.39743	2.4
245.05121	3.6
310.27649	2.8
353.08377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52084	1.4
61.58950	1.1
64.99762	1.1
69.07063	1.4
70.06577	8.8
72.33430	1.0
78.75518	1.2
85.02866	2.0
91.03473	1.1
91.05457	2.0
93.07024	1.2
98.97571	1.1
116.98663	1.4
119.04952	2.0
125.19476	1.2
130.08612	5.2
137.05923	1.2
140.88448	1.6
147.04410	7.3
166.54893	1.3
191.88197	1.5
212.05060	1.3
235.82935	1.2
293.85367	1.1
334.77478	1.2
350.63721	1.1
353.12009	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	352.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.96559	46.6
59.09120	0.6
65.99043	0.5
71.95259	4.9
72.96033	2.8
74.97597	1.1
81.07047	0.8
84.96028	0.7
86.80554	0.6
92.98590	1.1
97.96769	0.7
102.97089	0.6
111.10640	0.6
123.01184	0.6
128.98666	1.1
137.02718	0.6
146.99638	0.8
151.04340	1.0
160.75517	0.6
165.12752	0.8
201.85258	0.6
241.11230	0.7
293.17804	11.1
309.17410	1.0
311.18875	80.1
327.18463	3.8
329.19931	100.0
334.20676	0.9
334.27280	2.4
345.19504	2.5
347.20898	13.4
352.21494	3.6
352.31790	0.7
370.22745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01868	2.1
55.05512	5.0
56.24797	0.5
56.96563	0.7
57.03427	5.1
57.77495	0.4
58.90417	0.5
61.02899	0.5
65.03922	0.8
67.05498	9.1
67.32080	0.4
69.03410	2.0
69.07056	2.1
71.04974	2.2
75.04446	0.8
79.05482	10.4
81.03402	100.0
81.07043	10.6
83.04978	4.4
83.08607	20.5
91.05461	12.3
93.07021	8.0
94.08744	0.6
95.04950	28.3
95.08574	2.9
97.02885	0.7
97.06524	0.8
97.10123	0.7
105.07015	9.3
107.04945	7.9
107.08591	4.9
108.34663	0.5
109.06516	2.3
109.10158	1.2
111.04414	2.1
111.08066	8.2
115.05423	1.3
117.06998	0.6
119.04967	0.7
119.08573	12.8
121.06479	1.2
121.10127	5.5
123.08032	0.5
129.06998	10.1
131.08530	8.2
133.06482	3.7
133.10117	5.6
137.05946	1.0
137.09593	0.8
142.07780	2.8
147.08047	3.4
147.11670	6.9
149.09592	8.0
157.10074	10.2
165.12697	1.1
175.11139	12.1
193.12215	52.2
211.13304	5.5
267.15857	31.1
285.16916	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05506	1.1
59.77000	0.6
67.05492	13.3
69.03419	21.1
71.04977	3.6
76.55822	0.7
78.09456	0.6
79.05479	1.6
79.88346	0.6
81.03422	0.8
81.07027	1.1
83.08617	0.6
84.04498	1.2
84.08127	0.6
85.02900	9.3
91.05466	15.8
93.07017	5.8
95.04925	5.6
95.08582	10.8
97.02878	2.7
97.06504	1.2
99.04457	0.7
103.09563	0.6
103.82610	0.7
107.08578	0.7
109.06487	1.1
109.10156	7.1
119.08552	8.0
125.09614	0.6
127.03899	1.3
137.09599	100.0
144.58507	0.6
145.04973	1.4
147.04391	1.1
155.10626	2.6
172.07646	0.9
173.09984	0.9
173.11690	0.9
184.49385	0.7
346.85147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25964	0.6
55.01867	0.8
55.05504	9.5
57.03423	4.8
57.07067	15.0
59.04990	8.8
60.04519	1.0
61.02907	1.1
62.74044	0.6
67.05145	1.1
67.05493	25.7
69.03425	3.0
69.07055	22.9
69.07408	1.4
70.06590	1.1
71.04977	15.5
72.08131	2.9
73.06533	4.5
77.72357	0.6
78.55301	0.6
80.17667	0.6
81.03365	0.9
81.07035	5.9
83.04951	0.9
83.08603	25.5
85.02899	9.9
85.06531	25.7
86.30250	0.7
87.05594	0.7
91.05444	0.7
91.56340	0.7
95.04949	14.2
95.08587	4.8
97.02852	3.5
97.06516	1.5
97.47770	0.8
99.04412	0.9
99.08067	1.6
101.05994	9.0
101.09658	1.0
107.08588	0.8
108.92092	0.7
109.02916	0.8
109.10146	100.0
111.08072	0.7
113.05993	26.3
120.08083	2.9
127.07530	13.8
127.11156	6.4
129.09099	51.5
134.81517	0.8
136.07677	0.7
137.09596	6.8
141.05431	1.1
144.08096	1.1
155.07071	7.2
155.10649	68.3
173.08141	2.5
173.11707	79.8
252.30969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81858	0.2
52.29663	0.2
53.77714	0.3
55.05495	0.4
58.02942	0.2
61.72155	0.3
63.07955	0.2
65.38715	0.2
67.05491	0.6
67.74440	0.3
69.07047	1.3
70.04053	2.2
79.05471	0.6
81.07027	1.3
82.00581	0.3
84.66606	0.3
91.05438	0.5
93.07005	1.6
94.04137	0.7
95.08586	0.5
97.06476	0.3
105.03416	0.3
105.07019	1.3
107.08600	1.4
108.38695	0.3
109.10130	1.1
112.96059	0.3
114.09161	0.4
121.10185	0.4
121.15420	0.3
122.03609	5.0
133.10185	1.3
134.96628	0.3
135.11684	1.2
137.05956	100.0
140.64922	0.3
147.11688	0.5
170.15372	0.7
174.23351	0.3
182.15413	2.6
306.20529	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	352.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.1
52.99762	0.1
55.01868	0.2
55.05500	0.2
58.06579	0.2
67.05476	0.1
70.06566	0.1
72.08112	0.1
79.05479	0.2
81.03409	0.1
81.07053	0.2
83.04999	0.1
83.08602	0.2
84.04464	0.1
91.05456	0.6
94.04169	0.5
98.06021	0.1
98.97549	0.1
100.11234	0.5
103.05401	0.1
105.07034	0.1
107.04952	0.2
109.06488	0.2
111.04417	0.6
119.04893	0.5
122.03630	3.4
122.26237	0.1
131.04912	0.9
137.05960	100.0
138.06316	0.5
140.10718	0.6
151.07533	0.2
163.07486	1.0
168.10236	0.2
168.13821	0.2
181.08563	4.2
218.82103	0.1
295.20450	0.1
348.75168	0.1
352.25668	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	352.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25964	0.6
55.01867	0.8
55.05504	9.5
57.03423	4.8
57.07067	15.0
59.04990	8.8
60.04519	1.0
61.02907	1.1
62.74044	0.6
67.05145	1.1
67.05493	25.7
69.03425	3.0
69.07055	22.9
69.07408	1.4
70.06590	1.1
71.04977	15.5
72.08131	2.9
73.06533	4.5
77.72357	0.6
78.55301	0.6
80.17667	0.6
81.03365	0.9
81.07035	5.9
83.04951	0.9
83.08603	25.5
85.02899	9.9
85.06531	25.7
86.30250	0.7
87.05594	0.7
91.05444	0.7
91.56340	0.7
95.04949	14.2
95.08587	4.8
97.02852	3.5
97.06516	1.5
97.47770	0.8
99.04412	0.9
99.08067	1.6
101.05994	9.0
101.09658	1.0
107.08588	0.8
108.92092	0.7
109.02916	0.8
109.10146	100.0
111.08072	0.7
113.05993	26.3
120.08083	2.9
127.07530	13.8
127.11156	6.4
129.09099	51.5
134.81517	0.8
136.07677	0.7
137.09596	6.8
141.05431	1.1
144.08096	1.1
155.07071	7.2
155.10649	68.3
173.08141	2.5
173.11707	79.8
252.30969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05482	0.6
62.70204	0.5
63.92859	0.4
67.05483	0.6
71.13109	0.5
79.05489	0.8
80.09903	0.6
81.07010	0.9
81.94809	0.5
85.06012	0.5
86.00492	0.4
93.06990	0.5
95.08602	0.5
141.94275	0.5
251.12572	1.1
259.72977	0.6
263.77075	0.5
277.17725	0.6
351.21365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	14.4
57.03427	3.6
67.05497	19.8
69.07051	9.9
79.05471	32.9
81.07027	19.0
83.08604	2.3
91.05464	25.0
93.07025	37.8
95.04951	5.3
95.08579	12.2
105.06993	26.8
107.08611	19.0
109.10111	3.4
117.07028	4.0
119.08549	19.2
121.10116	15.0
131.08546	5.2
133.10126	15.5
135.11690	12.5
145.10075	3.6
147.11688	4.1
149.09587	2.7
161.13194	4.1
241.19432	3.9
259.20422	12.7
292.11896	2.8
305.20895	5.2
351.21350	100.0
351.25250	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.6
53.03931	2.4
54.81315	1.9
55.01855	6.7
55.05502	34.6
57.03428	31.5
57.07058	4.3
60.96666	1.6
63.31547	1.7
65.03935	2.6
67.05489	100.0
69.07053	30.3
71.04963	1.9
71.08612	92.7
76.67898	1.7
79.05472	77.8
81.03413	15.3
81.07037	82.2
83.04965	21.1
83.08602	11.7
85.06516	3.1
91.04893	2.4
91.05457	53.5
92.09248	2.2
93.07021	87.1
95.04955	19.8
95.08006	3.3
95.08585	56.9
97.06526	18.1
97.10146	3.8
99.08084	36.8
105.06993	33.7
107.04924	12.7
107.08582	45.1
109.06506	3.6
109.10152	22.9
113.09637	6.9
117.06998	7.5
119.08562	25.4
121.10123	23.3
123.08035	2.4
123.11719	3.0
127.11160	2.4
129.07005	3.9
131.08537	3.3
133.10106	18.5
135.11664	30.3
137.09637	8.1
141.09090	3.1
143.08528	2.2
145.10089	2.5
147.11693	3.2
149.13248	10.8
151.11165	32.7
153.12721	2.2
159.11571	2.3
161.13260	8.9
163.11169	11.0
165.12729	2.3
177.12752	2.7
179.14265	83.6
181.96814	2.5
206.01453	2.1
235.16823	4.1
249.18491	2.1
259.20581	3.4
277.21558	45.9
344.99652	1.8
351.18768	2.5
351.25171	63.1
366.85294	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	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	52.4
55.90296	10.2
56.96555	68.0
57.03408	11.6
66.50545	12.3
67.05487	54.1
73.34856	13.9
79.05472	71.0
81.07051	87.0
91.05449	77.5
92.09314	45.5
93.07036	95.4
95.08578	29.9
105.06998	27.1
107.08583	49.3
107.77154	13.5
112.33669	14.0
117.07081	20.6
119.08580	60.1
127.95726	14.9
129.07008	17.0
131.08592	14.4
133.10220	19.8
133.24495	12.3
135.11633	13.7
135.94444	11.7
145.10088	15.8
147.11684	26.4
152.51021	15.3
160.37560	14.1
217.07367	31.0
255.08923	17.8
259.20721	20.1
273.10126	18.5
296.63049	15.2
351.18741	100.0
351.21613	74.3
351.25128	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	351.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81403	11.7
57.81038	9.1
76.89314	12.0
81.07037	18.9
123.82841	10.6
133.10439	13.1
147.84045	11.8
152.00667	10.4
174.99495	10.1
269.10519	17.0
351.22006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.16383	0.3
79.05479	0.5
84.15419	0.4
105.07030	0.5
111.32086	0.4
120.48553	0.4
128.18159	0.4
133.06433	0.5
137.05949	1.7
165.09116	0.9
166.09456	1.0
214.60899	0.4
225.56360	0.4
286.29730	0.4
292.45404	0.4
351.21356	100.0
353.49380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1801
Annotation	gibberellin A2
Peak:m/z	Relative Intensity
55.01868	2.7
55.05502	4.5
55.78002	2.0
57.03418	1.8
60.04490	4.1
67.05477	8.2
69.07050	2.9
73.20007	2.2
73.83469	2.2
79.05466	3.9
81.07027	14.6
85.06510	2.8
85.98779	2.1
91.05437	9.3
93.07016	3.9
95.04939	4.4
95.08568	5.3
97.06525	2.9
98.97529	8.6
105.06989	4.5
107.04951	3.7
107.08539	2.2
109.10143	2.5
116.98595	8.7
117.06994	2.6
119.08559	4.7
121.06469	3.4
122.05949	2.4
122.09657	2.9
123.04456	2.3
125.99569	2.1
129.06999	4.0
131.08514	2.9
133.10028	2.2
134.99608	3.1
137.05960	4.1
143.08568	2.7
145.06425	4.1
147.04384	2.6
147.07996	10.1
155.08556	2.7
157.06485	2.7
157.10051	2.7
158.07091	3.2
159.07985	4.3
161.05902	3.9
161.09505	9.0
169.10042	2.6
171.07922	4.1
173.09477	3.6
183.11719	2.3
185.09534	8.6
186.10349	2.2
187.03691	2.4
187.07437	13.4
189.09024	3.2
191.07004	4.6
193.10152	5.3
195.07959	5.0
195.11795	2.7
196.08673	2.8
197.09558	3.0
199.11127	4.4
201.09091	40.1
203.06987	67.2
203.08722	4.1
209.09595	13.1
211.11107	16.6
213.09070	11.6
213.12665	4.3
214.09793	3.7
215.10625	11.6
217.08525	4.1
221.09587	4.8
222.10356	5.2
223.11147	4.5
225.08969	2.9
225.12639	2.9
227.10593	17.3
227.14194	3.1
229.08519	18.8
236.11899	4.1
237.12532	10.0
239.10593	52.4
239.14311	11.2
241.12120	4.7
241.15778	8.9
243.10132	16.1
249.12674	44.0
251.14265	13.9
252.11421	5.2
253.15825	3.8
254.12976	12.7
254.41400	2.8
255.13686	23.9
257.11697	3.6
264.11371	3.3
267.13742	71.0
269.15228	24.5
270.06091	2.7
279.13718	33.1
285.14737	25.7
297.14832	35.7
303.15811	32.1
307.15961	2.5
315.15854	100.0
333.16898	88.4
351.14297	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01856	1.8
55.05499	4.7
57.03431	8.4
57.07049	1.1
59.04979	8.8
60.06690	1.0
61.02910	11.8
67.05499	8.7
68.19713	0.9
69.03416	24.3
69.07056	11.1
70.06589	1.9
71.04989	7.1
73.02901	5.7
79.05479	3.8
81.03387	10.1
81.07036	11.2
83.04966	3.8
83.08596	2.2
85.02892	100.0
87.04450	1.9
88.00993	1.1
91.03942	6.7
91.05489	4.4
92.09284	2.3
93.07026	17.9
95.04948	1.1
95.08589	91.0
97.02872	23.7
97.06512	7.9
98.97585	1.0
99.04436	5.4
100.11224	1.4
105.07046	1.7
107.08578	29.9
109.02866	7.0
109.06422	1.1
109.09402	1.6
109.10140	33.8
111.04417	1.2
111.08077	1.1
115.03932	1.1
115.57622	1.0
121.10099	1.3
123.11691	4.7
125.13228	1.7
127.03899	18.4
133.10146	1.1
135.11679	36.9
136.07574	1.8
137.05997	2.0
137.13295	1.2
138.09055	1.2
140.23401	0.9
145.04944	21.5
153.12724	65.3
163.06026	5.0
163.07523	3.9
164.16579	1.0
173.04460	5.2
191.05539	2.0
289.13611	1.5
289.63754	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.45602	0.6
55.01869	1.0
55.05506	10.5
57.07061	1.6
58.04279	0.6
67.05491	8.5
69.07061	17.2
79.05482	6.1
79.65456	0.6
81.07046	10.8
83.04966	1.5
83.08611	6.0
85.95402	0.7
91.05476	3.2
91.80971	0.6
93.07024	8.6
95.04974	1.2
95.08600	13.3
97.06513	1.7
99.82707	0.7
105.07033	3.4
107.08588	8.4
109.06512	19.9
109.10139	5.3
111.08064	2.6
119.08582	4.7
121.10114	6.4
122.07282	0.8
123.08057	100.0
123.11679	0.9
125.09679	0.9
133.10098	4.8
135.08060	8.3
135.11673	3.0
136.08856	1.1
137.09612	6.1
145.10109	1.1
147.11703	1.6
149.09598	1.3
149.13205	1.3
159.11615	1.0
161.13219	1.3
173.13290	1.1
179.14334	10.6
247.20488	1.2
275.20023	1.0
293.21069	24.6
331.26294	3.9
349.27341	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02582	0.3
53.03946	0.3
54.81819	0.3
55.05508	2.5
57.03413	0.4
57.07056	0.5
57.90349	0.3
58.84249	0.3
65.03929	0.3
67.05494	2.5
69.03398	0.4
69.07048	2.7
69.34647	0.3
70.06579	2.6
70.87290	0.3
72.08106	0.5
78.94061	0.3
79.05475	5.3
81.07029	1.9
84.04468	0.6
84.08154	0.4
85.02898	3.2
86.09681	1.4
91.05455	5.5
91.90253	0.3
93.07019	28.2
95.04940	1.4
95.08597	2.2
97.02878	1.1
97.06527	1.2
105.07008	4.1
107.08575	44.6
109.06506	1.8
109.10126	1.3
110.06032	0.4
110.07153	0.3
111.04429	0.6
111.08089	0.6
116.07089	0.5
119.06070	0.4
119.08580	2.8
120.08086	0.4
120.09364	0.6
125.09596	0.5
127.03970	0.5
130.71364	0.3
135.11665	100.0
144.03137	0.3
151.39601	0.3
153.09077	3.1
153.12726	2.9
171.10114	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05766	0.3
55.01865	0.3
55.05500	1.7
57.03419	0.7
57.07050	0.4
58.99572	0.4
60.04508	0.8
62.79556	0.3
67.05479	0.6
69.03406	0.7
69.07042	0.7
70.06545	1.3
71.03844	0.3
72.08118	0.5
76.02234	0.3
79.05471	3.6
81.07033	5.0
82.07362	2.4
84.04482	4.4
85.02866	2.8
85.04819	1.8
87.02665	1.7
87.67877	0.3
88.03029	0.5
91.05457	4.1
93.07021	20.1
95.04945	1.4
95.08579	2.2
97.02838	0.7
97.06496	0.7
97.52013	0.3
98.97556	0.3
100.58706	0.3
102.05510	0.4
103.05412	0.3
105.00105	0.3
105.07021	3.1
107.04961	0.3
107.08575	38.1
109.06489	0.8
109.10155	0.5
110.07159	0.4
117.06996	0.4
119.06046	0.5
119.08541	3.3
120.09330	0.5
121.66698	0.3
122.02704	1.6
125.09618	0.6
132.01154	0.4
135.11667	100.0
136.12010	0.5
136.62497	0.3
137.05878	0.5
137.09503	0.4
145.02808	1.6
147.04359	0.4
153.09105	2.1
153.12706	2.2
160.11661	0.3
167.19127	0.3
171.10066	1.1
177.05367	0.4
202.08936	1.3
203.09236	1.8
350.14270	0.4
350.20840	0.4
354.48044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26303	1.6
52.95564	1.6
55.01859	12.4
55.05505	39.2
57.03432	36.6
57.07064	2.9
57.60289	1.8
59.23347	1.6
67.05495	56.2
67.76923	1.6
69.03409	3.0
69.07051	33.5
71.04963	2.0
78.22652	1.8
79.05473	58.4
81.03406	2.8
81.06599	3.5
81.07040	61.8
83.04518	1.8
83.04962	12.0
83.08604	9.9
91.05459	51.2
93.07022	64.5
93.82375	1.7
95.04929	18.0
95.08582	35.0
97.06499	7.9
97.10155	3.7
98.97587	2.0
103.05466	2.6
105.06365	3.4
105.07011	54.8
107.04927	20.9
107.08579	41.4
109.06506	22.8
109.10176	16.9
111.08086	2.7
117.07006	16.3
119.08580	29.8
121.06496	20.4
121.10096	17.5
123.08020	4.6
129.06969	7.8
131.08548	34.1
133.06439	2.5
133.10104	26.8
135.07993	7.9
135.11676	9.5
137.09583	2.8
143.08582	4.5
145.06456	4.2
145.10088	32.2
147.08025	8.6
147.11662	19.8
149.09592	11.9
149.13269	2.1
151.11154	4.6
155.08559	3.0
157.10095	2.4
159.08058	2.6
159.11647	12.3
161.09586	3.9
161.13184	4.4
163.11208	8.8
173.09607	7.8
173.13284	7.1
175.11136	2.2
177.12643	2.8
183.11624	3.0
184.44548	1.9
191.14285	2.7
197.76534	1.9
207.13872	3.0
223.18890	1.8
239.17970	3.2
247.20587	3.9
257.18964	20.3
275.20023	100.0
293.21350	6.2
349.14349	3.0
349.19687	25.4
349.23663	56.7
349.27682	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05490	8.3
55.16553	1.1
67.05486	5.4
67.46311	1.3
69.07053	16.3
71.04970	1.6
79.05457	4.6
81.07048	11.9
83.04955	1.6
83.08588	2.7
85.61599	1.4
91.05458	2.3
93.07014	9.0
95.08571	8.3
97.10117	1.5
105.07007	1.8
107.08577	8.3
109.06506	14.4
109.10147	2.9
111.08038	2.6
119.08565	2.5
121.10091	2.0
123.08047	100.0
133.10081	2.6
135.08031	8.6
135.11690	2.6
137.09601	6.2
145.10037	1.8
147.11708	1.8
149.09581	1.7
179.14241	2.5
193.38249	1.4
275.20032	1.4
293.21078	22.5
331.26245	2.2
349.27313	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.27043	0.3
53.00283	0.4
53.89925	0.4
55.05494	2.1
57.07070	6.1
57.72622	0.4
67.05476	2.4
69.07038	2.9
69.64169	0.5
70.25417	0.4
71.08604	2.4
71.08958	0.5
79.05463	3.0
81.07037	5.5
83.08615	0.6
85.06526	2.6
91.05441	0.7
93.07014	2.6
95.08593	6.8
97.10164	0.4
99.08044	0.6
105.07048	1.5
107.08566	2.6
109.06507	22.6
109.10115	1.9
111.08097	0.5
117.06969	0.4
119.08562	2.7
121.10075	1.0
122.07235	2.2
123.08047	29.8
133.10066	2.0
135.07997	3.9
135.11617	0.5
136.08826	0.5
137.09633	0.6
137.13228	0.5
141.24722	0.4
147.11609	0.5
179.14279	100.0
193.15912	3.1
231.68355	0.6
250.40543	0.5
293.20966	0.5
331.26254	1.9
349.27301	50.6
372.73349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.198
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
51.74370	0.5
55.05489	0.5
61.76191	0.6
71.87609	0.5
79.05453	0.6
81.07029	1.1
83.07755	0.5
91.05471	0.8
103.88754	0.6
104.33178	0.6
105.07044	1.4
106.31436	0.6
132.05800	0.6
137.05862	1.3
151.87379	0.6
165.09183	0.7
166.09380	0.7
167.15933	0.6
191.07051	0.7
349.19797	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	349.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30967	1.3
79.05463	1.7
96.56924	1.4
115.13206	1.3
127.55340	1.5
128.96329	1.5
197.41336	1.5
349.23438	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	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	7.6
58.07397	1.5
62.05193	0.6
71.08614	1.8
72.08938	1.1
76.56060	0.7
88.11242	10.5
89.11568	3.6
107.04940	14.1
108.05272	5.2
119.08568	0.8
138.81172	0.7
160.85112	0.7
163.11099	1.1
164.11548	0.9
236.16429	12.1
237.16736	10.5
292.22531	5.8
293.22995	10.3
327.18362	1.3
349.23425	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44283	2.0
53.00300	3.5
53.03937	26.6
55.01866	24.8
55.05505	40.2
57.03431	30.3
67.05492	100.0
67.05854	5.3
68.07204	2.3
69.07053	74.3
70.74716	2.5
71.04958	3.1
79.05471	66.9
81.03394	43.6
81.06596	5.2
81.07036	90.2
83.04966	14.7
83.08587	10.3
91.05453	78.7
93.07023	68.1
95.01308	39.9
95.04948	31.6
95.08587	64.8
97.06488	13.5
97.10162	3.0
98.72482	2.4
105.07002	99.5
106.95439	2.9
107.04939	51.0
107.08573	29.1
109.06514	5.3
109.10164	3.7
114.41055	2.7
117.06982	29.1
119.08543	46.0
121.06478	10.6
121.10095	4.8
123.04423	4.0
123.08047	14.1
129.06972	3.8
130.35333	2.6
131.08539	29.8
133.06465	4.7
133.10092	47.5
135.11673	4.8
137.05974	12.1
139.57840	2.9
145.06425	4.4
145.10107	21.0
147.11644	18.9
149.09624	3.7
149.13213	3.7
159.11656	15.6
165.09082	5.4
177.12782	4.5
179.14255	14.2
236.55106	2.9
250.04840	4.0
256.13452	2.9
257.18900	6.1
275.20053	48.1
310.03107	3.4
349.19629	16.8
349.23660	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01858	2.7
55.05503	8.8
57.03424	9.5
60.06708	0.5
67.05145	0.9
67.05492	15.8
69.07040	4.7
70.20539	0.6
71.04969	0.7
71.40994	0.5
79.05473	37.4
81.03410	2.3
81.07037	100.0
83.04962	1.4
83.08602	1.5
85.06475	0.7
91.05452	14.0
93.07021	13.6
95.04947	7.5
95.08582	7.2
97.06529	1.2
99.08050	0.8
103.01074	0.5
105.07009	12.0
107.04945	4.3
107.08566	6.8
109.06500	28.3
109.10155	1.3
111.08073	0.7
117.07008	3.2
119.08556	8.4
121.06528	1.0
121.10133	4.9
123.08046	1.3
131.08563	4.9
133.10110	7.7
135.08028	1.4
135.11703	1.0
137.09607	1.3
137.22791	0.6
145.10094	3.8
147.08095	0.7
147.11684	4.0
149.09636	1.4
149.13249	2.7
151.11234	1.1
159.11652	1.4
163.11104	1.1
173.13136	0.9
177.55420	0.7
222.12399	0.6
229.19424	1.1
247.20560	1.1
257.18887	1.0
262.25684	0.7
275.20004	16.2
349.23639	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	349.1771
Annotation	Enalaprilat
Peak:m/z	Relative Intensity
54.82023	11.2
57.89125	13.7
82.05074	12.6
113.11054	13.9
349.17780	100.0
353.06775	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	349.1982
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
51.58454	0.5
66.76017	0.6
83.02219	0.6
84.32159	0.6
85.76053	0.6
129.98148	0.7
131.25148	0.6
132.47664	0.7
153.79279	0.7
165.72884	0.7
234.41118	0.8
269.55127	0.6
287.19659	3.1
303.19266	14.1
331.18857	0.8
349.19794	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	349.1981
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
51.80624	0.6
55.05483	1.0
57.07058	0.7
58.09860	0.7
67.05489	1.5
70.06569	1.3
76.38242	0.7
81.07033	1.4
94.75027	0.7
95.08595	1.3
97.29929	0.8
227.27875	0.8
281.61395	0.9
286.30020	1.0
313.91559	0.8
348.33591	4.0
349.19794	100.0
365.35712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
57.03420	1.6
61.41974	1.0
67.74512	1.0
69.03414	7.5
70.06563	1.9
70.09295	1.1
70.22668	1.2
79.05476	19.5
81.03394	2.1
81.07037	89.3
84.08127	1.4
85.02889	31.4
95.04955	2.1
95.17097	1.2
96.08092	1.5
97.02876	25.8
97.06517	6.8
98.97598	1.4
103.03948	2.0
107.04929	5.8
109.02868	5.6
109.06508	51.9
112.07623	1.4
116.98643	1.1
120.08116	1.3
122.06047	1.8
124.07597	11.6
125.05990	12.5
127.03902	4.3
130.06575	1.3
131.01913	1.3
135.04402	5.4
136.06136	2.1
138.09030	1.2
140.07036	18.3
145.04977	1.4
148.07542	5.8
151.07516	1.8
151.11247	2.8
152.07031	21.2
155.01904	1.5
161.03035	2.2
164.07021	1.3
166.08633	2.5
170.08092	100.0
176.07068	2.9
190.08580	2.0
194.08095	41.9
194.09760	1.9
199.08273	1.2
212.09203	19.9
221.05083	1.8
236.09157	7.3
243.97533	1.3
248.09114	1.7
256.33026	1.3
264.99069	1.3
278.10202	5.3
307.12253	1.4
332.13339	29.4
349.14651	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	349.1645
Annotation	1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol
Peak:m/z	Relative Intensity
56.69053	0.2
63.77568	0.2
67.05513	0.6
69.03414	0.4
79.05470	1.4
81.07039	0.7
84.04489	1.1
91.05458	2.4
93.07028	0.4
94.04172	0.4
95.04956	0.4
103.05457	7.8
105.07022	1.2
107.04921	0.6
107.08552	0.5
109.06503	1.5
115.05449	1.2
117.06995	4.1
121.06477	0.4
122.03628	3.1
128.06239	1.6
129.71236	0.3
131.04913	16.6
133.06476	0.7
133.10118	0.5
135.08009	0.6
136.07617	0.4
137.05962	35.2
138.06262	0.4
143.08549	1.6
145.06483	1.0
151.07492	0.4
161.05940	3.7
161.09602	5.2
163.07520	100.0
171.08018	0.5
181.08574	1.6
182.08150	0.3
189.09090	13.6
207.10139	4.8
285.11285	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	348.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68014	2.0
55.01870	4.6
55.05270	3.3
55.05504	53.2
56.05012	2.3
57.03427	9.2
57.07063	3.1
63.87031	1.9
67.05492	100.0
69.03448	2.1
69.07060	26.0
71.04964	8.9
71.08610	23.8
74.66830	2.0
77.08757	2.5
79.05475	39.6
81.07037	98.4
83.04940	10.2
83.08598	49.6
85.06516	9.4
91.05458	32.1
93.07024	52.2
95.04919	4.6
95.08576	34.2
97.06504	13.1
97.10166	22.4
99.08080	16.8
105.07005	20.7
107.08585	31.2
109.10152	40.0
111.08041	13.5
114.76723	2.0
116.38046	2.3
117.06992	5.2
119.08549	11.3
121.10112	17.6
123.11691	2.4
125.09604	12.4
131.08516	13.0
133.10106	20.0
135.11656	15.7
137.09558	2.7
147.11610	7.9
149.13216	31.1
151.11156	18.7
155.10660	9.3
159.11676	12.9
161.13211	10.5
163.11154	8.8
165.12723	3.9
173.11719	27.7
175.14754	2.5
177.12718	5.2
179.14308	5.1
189.11179	11.5
195.13760	38.3
213.14809	34.6
219.48805	2.1
263.89160	2.3
277.21567	39.2
295.22574	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	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
57.03421	1.3
58.99575	2.3
60.09289	0.5
64.35870	0.5
69.03420	0.6
72.08129	0.7
76.02200	0.7
79.05475	1.2
81.07040	16.0
84.04491	18.4
85.01115	0.6
85.02882	3.9
86.00649	0.8
86.99034	3.7
87.02675	6.8
91.05460	3.2
95.04955	0.7
97.02919	0.7
99.08058	2.3
105.00079	2.4
107.04943	0.9
107.08556	0.7
119.04921	1.1
122.02702	6.0
123.04395	0.7
128.07138	0.6
130.05000	2.3
132.01134	2.3
137.05916	0.7
138.98106	0.6
142.03207	0.8
147.04436	0.9
151.07533	8.6
152.07845	3.1
159.04715	1.3
174.09607	0.6
186.31068	0.6
187.03671	1.2
202.08911	9.4
203.07410	2.9
220.10049	2.5
241.12532	0.6
331.13028	0.9
349.08881	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	349.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95889	0.7
53.03934	1.3
55.01867	1.3
55.05487	5.3
56.05018	5.3
57.03424	8.7
58.99572	9.3
60.04499	1.9
69.07050	1.6
69.48539	0.7
70.06589	0.9
72.08141	1.6
73.02903	1.0
74.36327	0.7
76.02222	10.6
79.05465	9.9
79.70241	0.8
81.07038	100.0
84.04488	86.4
84.08086	0.8
85.01090	4.4
85.02897	1.7
86.00639	6.9
86.99043	14.8
87.02673	42.5
88.03956	1.2
92.08720	0.9
95.04932	0.9
95.08556	1.1
97.06493	1.2
98.09660	3.0
99.08075	10.3
102.05504	1.7
105.00074	14.2
105.06946	0.8
107.08601	0.8
109.10128	0.9
110.09656	1.0
111.69957	0.7
113.04201	3.6
113.88844	0.7
116.98641	0.9
120.08047	1.5
122.02705	32.4
123.08081	1.1
130.04967	11.1
132.01120	14.9
137.05841	0.9
138.09120	3.8
142.03162	4.6
148.71980	0.7
151.07536	1.0
156.08347	3.6
157.06796	1.4
159.04716	13.6
174.09419	0.9
184.53427	0.8
188.03790	3.9
202.08931	50.4
203.07336	13.7
220.10059	10.8
234.04427	1.9
251.06979	1.1
284.94696	0.9
286.10818	0.9
331.12860	6.7
332.11600	1.0
349.14270	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	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
56.09731	0.2
57.03426	2.7
57.84798	0.2
60.51818	0.2
61.02913	0.4
65.03930	0.2
67.05486	0.2
69.03410	2.4
70.06586	0.3
72.08131	0.4
76.55992	0.2
79.05468	0.5
81.03413	0.4
84.04479	0.4
84.08114	0.4
85.02897	3.3
86.09689	0.9
87.04446	0.3
90.94746	0.2
91.05462	0.4
95.04968	0.2
97.02865	10.1
98.97557	0.2
98.98438	0.2
99.04390	0.2
102.28153	0.2
103.05441	0.9
105.07013	12.7
105.17090	0.2
107.04937	16.5
109.02891	0.3
109.06505	3.5
111.04411	0.4
119.03525	0.4
121.06472	5.9
122.05997	3.1
123.04405	4.0
127.03867	0.3
131.04863	0.4
133.06468	17.1
136.06163	100.0
137.04553	1.0
150.05476	2.8
151.03877	1.1
151.07516	28.8
168.06554	2.8
169.04909	1.3
176.08098	0.4
186.07549	0.9
188.08051	0.3
196.63387	0.3
214.06085	0.3
348.06812	4.3
348.13138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61193	0.2
51.43236	0.2
54.73177	0.2
69.07024	0.2
79.05469	1.2
81.07023	0.9
81.46977	0.2
91.05430	1.5
93.07034	0.3
94.04179	1.6
95.04951	0.4
95.08546	0.3
96.47191	0.2
103.05436	0.8
105.07001	2.3
107.04906	0.3
113.96215	0.2
122.03614	7.0
123.04434	0.4
129.07013	0.3
131.04919	1.3
131.08537	2.2
133.06459	2.0
137.05948	100.0
138.06290	0.5
149.05948	5.4
149.09544	0.2
151.07512	3.6
159.08034	1.2
161.05910	0.3
163.07486	1.4
165.06905	0.3
165.09088	3.2
169.98746	0.2
174.06779	0.2
177.09119	1.2
178.07765	0.3
179.08478	1.6
191.08510	0.2
192.09293	1.1
195.10117	5.1
195.11742	0.3
196.08716	0.4
197.09625	0.3
205.06529	0.4
207.08058	1.5
207.11658	1.0
209.09601	0.8
211.07475	0.4
220.08794	1.7
222.06526	0.3
224.08339	1.0
225.09050	1.4
227.06874	0.3
228.88542	0.3
233.05861	0.9
235.07417	2.4
235.11134	3.3
237.09021	1.3
238.09801	0.5
239.06966	0.2
239.10626	1.7
240.07870	0.3
248.08260	2.1
251.06958	0.5
252.07829	0.4
252.11429	0.2
253.08467	1.5
253.12155	1.0
257.08026	0.5
263.10611	4.1
265.08505	0.3
266.09360	1.1
267.10129	1.6
267.13614	0.3
269.11481	0.2
271.09338	0.3
280.10721	0.3
281.11633	8.3
285.11121	4.3
285.14401	0.5
295.13229	1.9
301.14157	0.4
313.14224	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	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01856	0.2
57.03415	0.3
60.04491	0.2
61.02910	0.9
69.03407	2.2
70.52863	0.1
71.04986	0.2
73.02879	0.3
79.05463	0.2
81.03383	0.9
84.04498	0.2
84.08131	0.2
85.02892	5.6
86.09679	1.0
92.08575	0.2
92.82499	0.2
95.04958	0.3
97.02863	4.3
98.97573	0.3
99.04436	0.2
103.05353	0.2
107.04937	100.0
108.05280	0.3
109.02859	0.3
110.92812	0.2
116.98569	0.2
119.03542	0.2
121.06483	0.7
123.04395	0.7
127.03914	1.2
131.04900	0.2
133.06458	2.0
136.06161	28.3
137.04573	0.4
137.05830	0.2
138.51419	0.2
145.04935	0.3
151.03902	0.7
151.07524	5.5
151.08649	0.3
159.25142	0.2
169.04932	0.3
169.06532	0.2
173.12828	0.6
180.08716	0.2
186.11263	0.2
189.96727	0.1
214.42966	0.2
217.08603	0.2
237.93355	0.2
298.85999	0.2
305.79517	0.1
314.59189	0.2
348.07056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48883	0.4
53.03947	0.6
55.01851	0.5
57.03415	2.5
60.40134	0.3
61.02903	3.3
65.03914	1.0
69.03414	6.7
71.04968	0.4
73.02900	0.8
73.49391	0.4
81.03408	3.0
85.02886	27.9
87.04449	0.6
88.37238	0.5
91.03937	1.0
91.05457	19.4
95.04939	3.5
97.02863	8.5
98.66703	0.4
99.04410	1.0
109.02853	2.8
119.04916	20.5
127.03880	3.5
136.05177	2.3
136.06180	0.9
137.05931	2.0
145.04947	3.4
151.07516	100.0
156.19753	0.4
161.58018	0.5
169.08557	7.0
180.08653	0.9
186.11237	0.7
208.60440	0.5
277.10687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08543	0.3
53.03932	0.5
55.01849	0.5
57.03414	2.1
60.04496	0.5
61.02918	4.6
64.33298	0.3
65.03901	0.3
69.03414	7.6
70.06567	0.4
70.33076	0.3
70.47807	0.3
71.04980	0.5
72.08136	0.9
72.53603	0.5
73.02913	0.9
73.89949	0.3
79.05530	0.4
81.03389	3.0
84.04469	0.5
84.08144	0.8
84.49527	0.4
85.02893	29.0
91.03922	0.7
91.05466	22.1
93.07036	0.5
95.04965	3.6
97.02876	8.9
99.04414	1.6
103.05409	0.4
105.07021	0.8
109.02859	2.0
109.06500	0.5
119.04925	20.5
121.06476	0.7
123.04417	1.5
123.08051	0.8
123.14541	0.4
127.03880	3.9
131.04906	0.6
136.05185	2.2
136.06174	5.5
137.05940	3.2
141.57486	0.4
145.04932	2.8
147.04410	0.7
151.07529	100.0
165.09070	1.0
169.08563	6.8
175.07474	0.9
180.08688	0.5
181.06560	0.4
186.11278	0.8
189.09212	0.6
193.08673	0.7
203.06967	0.5
203.90706	0.5
205.08542	0.6
217.08473	0.6
224.59659	0.4
230.57298	0.4
259.09262	0.7
277.10690	1.7
295.11542	0.6
349.08844	5.8
365.83609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01861	2.1
57.03418	3.8
61.02905	6.3
61.82452	0.9
62.30283	0.8
65.03600	1.6
65.03923	29.2
65.91711	0.9
69.03410	12.4
70.06561	2.0
71.04976	1.2
73.02901	1.6
81.03394	6.0
85.02885	43.3
86.09662	0.9
87.04411	1.2
91.03938	1.6
93.03377	38.6
97.02867	14.9
100.76180	1.0
107.04937	1.0
109.02842	3.8
110.03648	9.7
111.04424	86.7
123.04391	1.3
125.05970	54.4
127.03903	4.8
133.06464	1.4
136.06160	36.7
145.04916	5.4
149.98114	1.0
151.03880	37.3
151.04999	1.6
151.07443	3.4
169.04919	100.0
180.08656	2.1
271.42218	1.1
348.06946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78244	0.2
53.03945	0.3
54.81569	0.3
55.01854	0.5
56.96542	0.3
57.03417	2.0
61.02904	1.6
67.05476	0.7
69.03416	3.9
70.06588	0.4
71.04935	0.3
72.08135	0.7
72.93752	0.5
79.05473	0.5
81.03391	1.6
82.65385	0.3
82.85678	0.3
84.04495	1.3
84.08138	0.7
85.02888	10.1
86.09683	1.5
95.04938	2.1
96.04496	0.4
97.02866	12.4
98.06004	0.5
99.04439	0.5
105.06999	5.1
107.04943	3.7
109.02858	0.6
109.06509	1.2
111.04433	0.5
112.36432	0.3
113.03449	2.1
114.03867	0.4
119.03535	0.7
123.04404	67.5
125.06036	0.4
126.05466	0.5
127.03910	1.3
133.06462	6.7
136.06165	100.0
137.04538	1.5
138.05455	1.7
140.07045	0.3
145.04956	1.1
146.64334	0.3
147.04439	0.4
151.03882	10.3
151.07509	9.4
168.06560	0.6
169.04932	14.3
173.88742	0.4
176.08118	0.5
186.07588	0.5
188.08211	0.6
214.06116	0.4
216.06787	0.4
334.49161	0.4
348.07022	3.8
348.12851	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0701
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
54.39961	0.1
61.02914	0.1
69.03409	1.1
72.08135	0.2
76.66814	0.1
82.79720	0.1
84.08130	0.2
85.02892	0.2
86.09689	0.5
89.81155	0.1
97.02871	9.2
98.97572	0.1
98.98445	0.2
107.04927	0.9
110.06053	0.1
119.03496	0.7
132.10213	0.1
136.06166	100.0
137.02071	0.1
137.04561	1.0
137.06529	0.1
178.07176	0.1
186.87929	0.1
187.22433	0.1
190.51488	0.1
348.07007	3.9
369.84067	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	348.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95531	0.2
60.84025	0.1
61.02873	0.2
69.03419	1.4
70.06578	0.6
70.29037	0.1
72.08126	0.2
81.03423	0.2
82.63850	0.1
83.04936	0.1
84.04488	0.4
84.08132	0.3
85.02879	0.8
86.09663	0.2
86.69679	0.1
87.04437	0.3
92.64297	0.1
95.34973	0.1
97.02866	9.6
107.04940	1.1
116.07021	0.2
119.03506	0.8
122.05984	0.2
123.04353	0.4
130.05023	0.3
136.06163	100.0
137.04562	0.9
138.05521	0.3
150.05490	0.2
151.03893	0.2
151.07509	0.2
168.06572	0.2
169.05032	0.3
169.17673	0.2
313.27753	0.1
341.67868	0.1
348.06931	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
52.69891	0.6
53.04023	0.6
57.07055	1.6
58.46237	0.6
67.82236	0.6
71.08636	0.9
79.91389	0.6
83.27331	0.6
86.20556	0.6
88.07613	3.1
91.05468	3.4
91.36740	0.6
149.02336	1.4
154.03882	0.9
160.26791	0.7
174.11508	0.7
177.05479	0.6
193.04985	3.1
198.04198	0.6
224.65681	1.3
346.32999	1.6
347.21866	100.0
348.22159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2189
Annotation	Cortexolone
Peak:m/z	Relative Intensity
50.11657	0.4
54.81627	0.4
59.15528	0.4
68.43718	0.4
88.07655	0.5
91.19381	0.5
104.20369	0.4
113.45425	0.4
116.35316	0.4
173.49438	0.4
263.12524	0.4
284.29523	0.6
285.29709	0.5
293.21429	0.4
346.33038	1.7
347.21857	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	347.2789
Annotation	2,3-Dihydroxypropyl 16-hydroxyhexadecanoate
Peak:m/z	Relative Intensity
51.17274	0.6
53.03926	0.9
55.01870	3.0
55.05506	63.2
57.03428	15.9
57.07068	51.9
59.04982	1.0
67.05492	29.0
69.03409	1.1
69.07055	100.0
70.06553	1.2
71.04980	3.6
71.08615	29.7
73.06544	3.7
73.17779	0.6
77.85648	0.7
79.05008	0.6
79.05474	20.0
81.07040	49.0
83.04961	6.3
83.08603	68.4
85.06537	2.8
85.10168	12.4
87.08065	0.8
88.07641	0.8
91.05445	3.4
91.66453	0.7
93.07024	34.5
95.08584	39.4
97.06508	21.3
97.10147	36.8
97.10756	1.5
99.08077	1.3
101.06000	3.9
105.06947	1.0
107.08578	28.8
109.10140	17.9
111.08076	13.0
111.11728	7.3
115.07554	3.5
121.10125	28.8
123.11680	8.2
125.09603	8.8
125.13245	1.3
129.09120	1.5
130.49466	0.6
132.10191	1.0
135.00620	0.7
135.11682	24.6
137.13206	5.4
139.11166	9.1
143.10704	3.0
149.13231	19.3
149.14343	1.0
150.11214	1.3
153.12726	7.1
157.12234	1.6
163.14792	11.6
167.14319	4.4
171.13835	1.0
173.76358	0.7
177.16389	5.2
178.31238	0.7
181.15839	4.0
185.15314	1.3
194.39592	0.6
195.17375	1.0
199.16896	1.4
219.21054	24.2
237.22073	24.3
255.23175	8.8
302.30463	0.8
311.25699	6.7
329.26804	97.6
346.33328	1.2
347.33368	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	347.1853
Annotation	Laxiflorin A
Peak:m/z	Relative Intensity
50.66742	3.7
55.01876	4.3
55.05509	41.8
64.51183	4.5
67.05480	17.0
69.07093	3.6
70.34064	4.4
72.82520	3.6
75.83916	4.9
76.56384	4.1
79.05478	8.9
81.07047	20.9
83.08599	5.2
91.05455	19.0
93.07015	4.4
95.08572	16.5
97.06480	6.8
104.06471	4.2
105.07026	5.7
107.68968	4.7
109.06467	4.7
115.05458	4.2
117.06981	6.5
119.04813	4.6
124.07629	5.2
128.06282	6.3
128.29080	4.1
131.04889	6.8
135.04433	5.0
137.05954	10.1
141.06952	34.0
143.08536	17.2
145.42052	5.4
147.04457	4.4
149.05995	5.0
151.09227	4.9
153.06972	10.1
154.07744	7.3
155.08601	37.1
165.06953	5.1
167.08487	7.2
169.06467	8.4
171.07994	29.3
181.06448	62.4
181.10057	5.7
183.08006	53.3
185.11563	4.0
186.06693	5.9
187.07422	6.0
195.08208	7.9
197.09758	5.1
199.07539	100.0
201.09109	19.0
205.08607	23.6
209.04488	5.1
209.09673	18.3
223.11185	5.3
227.10605	5.7
265.15909	10.9
275.13995	6.7
277.87543	4.9
293.15298	14.3
293.46417	4.9
311.16339	40.4
329.17371	32.8
347.18253	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	347.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32816	2.3
55.05502	3.5
56.96566	2.9
58.13406	2.1
62.41600	2.3
68.93370	2.7
71.00978	2.2
75.55225	2.0
79.05501	2.7
81.07008	2.3
92.09403	4.2
97.06505	10.5
105.07041	2.4
137.06003	7.8
285.18167	4.3
301.17599	15.8
329.17154	41.2
347.18219	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	347.1826
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
56.96562	1.5
64.91380	1.8
65.41214	1.6
66.66606	1.6
67.05509	2.1
69.07047	2.1
81.07021	2.6
83.97808	1.6
92.05712	1.8
95.24342	2.1
97.06501	2.5
98.08620	1.7
137.05952	4.2
268.28696	1.9
283.16525	4.1
285.18240	3.1
301.17725	12.6
327.81662	1.8
329.17218	35.4
341.91891	2.0
347.14029	3.4
347.18256	100.0
359.00797	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
55.05500	1.2
62.60189	0.6
67.05476	3.3
69.07050	0.8
75.61555	0.6
79.05125	0.7
79.05482	11.3
80.05734	0.7
81.07036	2.8
83.08607	0.7
84.59966	0.6
87.30045	0.7
90.18573	0.6
91.05460	3.0
93.07038	1.5
95.04947	1.4
97.06516	1.4
101.58961	0.6
103.05452	6.9
105.07015	76.4
107.04945	0.9
107.08527	1.0
109.06506	5.3
109.10107	0.8
110.30762	0.6
111.04418	0.7
117.29023	0.7
121.06456	1.0
122.03626	3.3
124.05199	3.7
131.04916	0.6
133.06468	65.1
135.04364	0.8
135.07973	1.0
137.05959	100.0
142.81290	0.6
145.10054	0.8
150.06825	0.9
151.07480	2.1
163.07597	1.1
165.09081	96.4
173.11743	0.9
176.68466	0.7
204.94421	0.7
233.11734	2.4
277.21408	0.8
347.18335	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	347.1487
Annotation	Metasequirin D
Peak:m/z	Relative Intensity
51.02385	0.5
53.03942	0.6
55.01856	0.7
67.05492	3.5
69.07069	0.7
69.21492	0.4
71.04982	1.2
79.05470	10.1
81.03417	0.6
81.07029	2.4
91.05463	2.3
93.07040	3.2
95.04951	3.2
95.08580	5.7
97.06500	3.4
98.97584	0.6
103.05480	1.3
105.03423	0.9
105.06997	7.9
107.04944	2.3
107.08557	0.9
119.08510	0.6
123.08047	3.3
129.06993	0.8
130.04103	0.7
130.28203	0.7
131.04916	3.2
133.06503	2.3
135.04390	100.0
137.05934	3.1
138.06227	0.7
147.04468	0.5
149.05893	0.6
151.07533	3.2
153.06975	0.6
155.08585	0.6
160.05193	0.8
161.05975	3.5
163.07521	0.9
166.07835	0.8
167.08482	1.2
173.05974	2.6
175.52100	0.6
179.08540	1.0
181.06497	0.6
185.05963	1.2
189.09003	0.6
195.07933	0.6
199.07423	0.9
207.08070	0.8
207.11726	1.1
211.07526	1.1
223.07404	1.0
225.08940	0.7
233.11809	1.0
235.11189	1.1
237.08998	0.7
239.10667	1.1
265.12109	1.1
283.13147	5.3
301.14133	0.7
311.12723	2.7
329.13794	3.0
347.14874	3.5
359.67700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1699
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
55.01865	7.0
55.05495	9.7
57.03418	8.0
57.07066	3.3
59.04982	8.0
61.02908	2.6
67.05486	2.3
67.29439	1.4
69.03419	20.9
69.07056	6.0
70.06569	9.6
72.08135	1.9
79.05457	6.1
79.27824	1.1
81.03394	1.7
81.07030	8.8
83.04472	2.0
83.04968	62.2
83.08639	1.8
83.64998	1.2
84.08131	2.0
85.02892	27.1
86.09687	7.1
87.10046	1.4
91.05465	3.4
93.07013	9.4
95.04962	2.4
95.08607	12.6
95.61861	1.4
97.02863	7.7
97.06499	13.7
97.10143	2.1
98.97599	2.2
105.07005	2.8
107.04967	1.9
107.08580	18.2
107.91013	1.3
109.02824	2.0
109.06504	6.0
109.10111	1.4
111.04429	11.6
111.08059	1.3
116.07072	7.3
119.04948	1.5
121.06469	9.6
121.10126	31.7
123.08045	5.9
125.05917	1.4
125.09602	14.6
127.03913	1.5
131.04840	1.8
136.06108	2.2
137.05954	12.1
137.09627	13.4
139.11147	13.1
141.06978	1.5
149.05942	14.0
149.09598	9.4
151.07523	8.8
152.06152	3.0
153.06956	21.5
154.07584	1.5
159.55371	1.5
165.06984	2.4
167.10648	100.0
167.12088	3.3
169.06462	9.9
170.07178	1.6
172.46266	1.4
181.05144	1.8
181.06476	24.8
183.07913	2.0
185.11693	16.3
187.07559	2.3
195.08026	3.4
197.05937	14.5
198.06793	5.4
207.04439	7.6
209.03998	1.5
209.05948	7.7
211.07535	18.9
213.09106	13.5
225.05466	8.3
226.06119	2.5
229.08577	2.6
236.07806	1.7
239.07054	6.2
241.08562	14.4
257.07977	1.6
258.08823	49.3
270.93271	1.6
271.09598	2.8
272.10376	57.1
273.11169	16.8
282.30902	1.5
347.16754	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	347.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56118	0.8
53.03937	0.7
53.22842	0.7
55.00534	0.8
55.01864	1.3
57.03430	9.7
62.23438	0.8
64.32736	0.9
65.92219	0.9
66.52902	0.8
69.03407	0.9
69.07053	1.0
70.06559	5.1
72.08125	1.3
75.04454	1.6
79.05496	1.3
79.54598	0.8
83.04951	0.9
84.04464	0.9
85.02887	5.3
86.09675	4.8
91.05456	6.5
93.07008	3.6
95.04942	4.4
100.31026	0.9
107.04946	4.3
109.02834	1.0
115.05422	1.1
116.07084	1.5
116.98522	1.3
117.06960	1.2
119.01834	1.1
119.04874	4.2
121.06465	13.4
121.10060	1.6
123.04419	1.2
131.04895	1.1
134.03630	1.1
137.05949	18.1
141.06975	3.6
145.06470	1.3
147.04424	1.4
149.05963	18.4
149.09639	1.5
150.06648	1.4
151.07518	15.9
152.06142	7.5
153.06958	36.4
154.07588	1.2
155.08528	0.9
163.07506	1.5
165.06935	9.2
167.08502	4.7
167.10602	1.2
168.05676	3.6
169.06448	17.6
170.07248	4.9
171.08057	1.2
181.05046	1.6
181.06444	40.8
182.07216	3.6
183.08002	4.0
187.07571	4.2
192.08859	1.1
193.06413	1.8
195.07991	9.7
196.05167	5.7
196.08365	1.4
197.05943	29.2
198.06732	10.7
207.04372	17.6
208.05070	1.1
209.05948	10.6
210.06657	1.2
211.07515	26.8
212.08180	1.0
213.09073	19.1
214.06194	1.9
215.07091	4.0
220.08269	1.2
223.07452	3.9
224.08009	1.3
225.05453	10.4
227.06967	1.4
229.08543	5.8
233.75659	1.0
238.09413	1.2
239.07068	11.0
241.08562	25.0
242.09164	4.1
243.06400	2.0
244.08295	0.9
255.10054	1.3
257.08026	2.2
258.08817	84.1
270.08710	1.5
271.09656	9.1
272.10361	100.0
273.11124	31.2
284.09970	3.3
301.12601	1.6
314.11447	1.5
330.10703	2.1
334.08719	1.3
347.16788	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81470	0.7
55.05499	0.5
57.07063	12.7
58.06583	2.6
70.06198	1.1
70.06574	25.1
71.08619	5.2
74.06046	0.7
84.08109	0.6
85.10177	1.1
88.07610	34.0
95.28320	0.6
102.09156	20.2
102.09830	0.8
132.10178	0.9
135.62854	0.6
180.69952	0.6
240.26965	0.6
244.24620	0.6
284.29404	63.7
290.43967	0.6
322.38431	0.6
328.32111	4.6
339.41946	0.5
346.33078	100.0
347.33188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80059	0.5
52.80612	0.5
54.81551	0.5
55.05501	1.4
56.04771	0.7
56.05027	16.5
57.06814	1.0
57.07068	15.9
58.06591	9.9
60.04510	2.8
61.11958	0.5
62.78032	0.6
64.39712	0.5
69.07048	1.0
71.08624	6.1
74.06056	13.4
75.55545	0.7
79.05460	0.6
81.07019	0.9
85.10212	2.2
86.06068	1.2
88.07609	71.4
91.05451	3.5
100.41084	0.8
114.37063	0.6
118.08630	14.5
119.35133	0.6
121.32047	0.6
122.08096	7.7
133.73218	0.7
154.68491	0.6
180.10153	0.7
181.51273	0.7
188.97612	0.6
213.56958	0.6
237.89880	0.7
284.29514	1.0
298.30975	53.6
310.30954	0.8
328.31973	2.7
346.33069	100.0
368.85889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1236
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01866	11.8
57.03435	1.2
68.28506	0.7
69.12344	0.9
70.06595	1.0
71.04949	0.9
71.31354	0.7
77.91923	1.0
84.24751	0.8
85.02832	0.9
91.05453	1.3
92.08620	1.5
95.04947	1.1
97.06504	0.9
108.04490	1.4
120.08147	0.7
123.04361	0.9
129.06985	1.1
135.43439	0.7
137.05933	6.0
138.05440	1.2
141.06938	0.8
144.08063	1.4
152.03415	1.9
153.05559	0.8
156.08070	1.3
157.07703	1.1
160.03941	1.9
161.04701	0.8
162.05489	1.3
167.07248	1.2
168.08014	2.0
170.08362	1.0
171.09155	0.9
172.07626	1.3
176.06859	1.0
178.04968	6.5
181.13895	1.0
183.09184	1.2
184.06230	1.7
184.07675	1.4
185.07097	5.5
185.10725	1.8
186.09142	1.4
187.05017	4.5
188.03481	1.0
193.04884	1.3
196.07596	3.2
197.07034	3.5
198.07721	1.4
198.09274	1.0
199.08679	13.3
200.07043	1.3
201.06580	10.0
201.10269	4.2
205.06062	1.5
209.07089	1.1
209.10783	1.8
210.09174	3.3
211.08636	4.2
211.12158	1.1
212.10883	1.2
213.06586	15.6
213.10201	13.7
215.07962	1.1
215.11760	1.0
223.08656	2.1
224.07002	1.7
225.06645	1.0
225.68878	0.9
227.08128	18.6
227.11572	8.0
228.10178	4.3
229.09706	9.9
231.07536	9.8
237.10178	6.8
238.08559	3.8
239.08157	5.0
241.09645	12.5
245.09209	5.3
250.07353	1.3
254.10541	1.3
255.07625	22.1
255.11221	14.4
256.09702	1.6
257.09152	5.0
257.12805	2.0
259.07089	3.5
259.10800	1.2
265.09695	9.4
266.07980	2.1
266.10538	1.1
267.07523	5.0
269.09143	17.4
273.08771	9.5
273.11728	1.4
275.10474	1.6
283.07697	1.5
283.10721	40.7
287.10263	8.4
293.09140	13.1
299.09393	1.1
301.11880	8.6
311.10211	76.7
319.12924	1.5
319.82007	0.9
329.11264	84.7
347.12323	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	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05518	0.9
56.52662	0.6
57.07066	16.5
59.33044	0.6
67.05487	4.1
67.82928	0.6
69.07037	2.5
70.06575	27.1
71.08615	7.7
71.51451	0.6
79.05471	5.1
81.07030	3.5
83.04925	0.7
83.08588	1.3
84.08118	2.6
84.43886	0.6
85.10174	1.5
88.07610	25.3
88.08118	1.4
89.90289	0.6
91.05456	3.7
91.61730	0.6
93.07030	1.1
94.23641	0.7
95.04960	1.5
95.08560	3.0
97.06519	1.3
99.08076	2.4
103.05442	3.3
105.07011	48.1
106.07320	0.9
106.08647	3.1
107.08577	1.3
109.06482	1.6
109.10196	0.8
111.04413	0.7
114.09148	8.7
117.06969	0.9
118.08650	1.1
121.06506	0.9
123.08054	0.6
124.05179	1.6
126.17119	0.7
131.08537	0.8
132.10179	30.5
133.06468	44.3
134.06779	0.8
137.05957	59.2
138.06245	1.0
144.99329	0.7
145.10123	0.7
150.11224	20.3
165.09079	78.3
166.09447	1.4
167.10646	2.6
170.35030	0.6
205.12355	0.9
270.27795	2.7
275.19904	0.9
284.29471	0.7
293.21121	3.1
302.30536	9.3
311.22214	4.7
329.17316	0.8
334.57397	0.7
346.33087	100.0
347.33334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.6
55.01865	15.7
55.05239	1.6
55.05506	45.7
57.03434	16.4
57.07067	13.3
59.04996	1.7
63.87969	1.3
67.05141	3.5
67.05495	100.0
69.03416	10.4
69.07059	34.5
71.04976	10.8
71.08620	12.6
79.05479	55.4
81.03394	4.2
81.07045	93.5
83.04968	27.4
83.08613	16.9
85.02879	3.4
85.06522	7.8
85.10165	9.0
87.04451	9.5
87.92545	1.6
91.05467	47.3
93.07030	52.9
95.04949	14.0
95.08596	63.9
97.06515	33.2
97.10172	2.0
98.15358	1.6
99.08072	10.4
101.06016	7.5
105.07019	34.3
107.04947	4.2
107.08580	33.2
109.06513	3.6
109.10137	36.4
111.08079	7.6
113.06004	1.7
113.09655	2.9
115.03964	2.7
117.07019	10.5
119.08549	25.9
121.06495	3.4
121.10099	21.7
123.08048	3.2
123.11680	7.6
125.09628	2.6
129.07016	3.4
131.08556	10.7
133.10112	22.8
135.08098	3.2
135.11661	14.5
135.83012	1.7
137.05959	8.8
139.11172	20.2
141.07080	1.6
145.10127	10.5
147.11661	14.0
149.09488	2.5
149.13245	10.4
151.11183	2.4
157.10037	1.9
157.62804	2.0
159.10199	2.3
161.13205	2.2
163.11160	3.0
163.14873	1.7
165.12753	3.7
169.12244	10.5
173.11809	3.2
173.13245	2.4
183.13795	10.0
200.16130	1.7
211.13301	6.7
229.19603	7.7
233.11751	3.9
247.20651	8.0
265.21545	48.1
265.24203	2.7
267.19537	2.0
274.27338	2.9
275.20004	4.2
283.22778	12.5
293.21057	17.6
311.22113	28.7
347.18097	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	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01853	17.8
55.05512	44.9
56.96554	2.8
57.03429	6.4
57.07067	6.4
67.05492	90.0
69.03405	5.1
69.07061	31.7
71.04977	4.3
71.08621	36.8
74.06030	4.4
79.05485	58.6
79.86731	3.7
81.03391	18.8
81.07038	99.3
83.04958	17.9
83.08619	27.8
85.06512	5.1
91.05468	50.9
93.07033	46.8
95.04942	75.4
95.08575	59.3
97.06516	15.6
97.10136	13.2
99.08074	22.9
104.72308	3.3
105.07040	46.2
107.04929	30.9
107.08565	42.3
109.06483	19.0
109.10141	34.3
111.08096	17.0
117.07009	21.9
119.08586	29.1
119.09283	3.9
121.06473	12.3
121.10119	23.1
123.08000	5.8
125.09587	13.6
129.06998	17.3
131.08565	21.7
133.10075	35.1
135.08051	16.1
135.11633	8.1
137.05948	19.5
138.06293	6.2
138.92993	3.3
143.08572	4.8
145.10118	17.5
147.11676	23.6
149.09625	18.9
149.13197	5.4
151.11157	42.4
153.12656	4.8
157.10193	5.3
159.11700	13.7
161.09608	16.0
163.11185	14.5
165.12708	13.9
173.09682	5.5
173.11732	5.1
175.11198	14.2
177.12686	21.4
181.12209	4.1
182.82219	3.6
193.12257	13.7
195.13776	4.0
211.13200	35.8
212.32449	4.2
223.13298	6.5
229.14371	6.0
265.21573	5.0
275.20032	32.3
282.88586	3.6
293.21045	100.0
305.16016	6.3
311.22092	8.7
323.13867	6.6
323.17169	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
53.30015	1.3
55.01857	7.3
55.05509	66.1
57.03427	5.7
67.05493	32.5
69.03410	7.0
69.07053	14.3
71.04963	2.8
71.08606	11.3
79.05476	36.0
81.03405	53.0
81.07040	44.0
83.04973	26.8
83.08608	47.6
85.02911	3.1
85.06525	1.9
91.05467	20.2
92.09364	2.7
93.07027	21.1
95.04954	44.2
95.08585	14.6
97.06525	7.5
97.09557	1.6
97.10161	41.8
99.08089	6.6
105.07033	16.4
107.04948	9.7
107.08572	22.1
109.06538	5.2
109.10136	6.1
111.04431	3.6
111.08080	11.1
117.07015	3.2
119.08584	14.5
121.06496	5.9
121.10142	6.9
123.07990	2.2
125.09624	26.4
129.06995	8.6
131.08521	9.4
133.10103	11.1
135.08025	2.2
135.11703	5.3
139.11206	2.5
145.10155	6.2
147.08022	1.7
147.11661	10.6
149.09567	6.8
153.09119	8.0
153.12698	1.8
157.10095	10.5
163.11171	13.8
165.12747	1.8
167.10757	1.6
175.11128	11.0
177.12666	2.9
189.11151	14.2
193.12224	39.5
195.13808	6.8
201.59364	1.5
211.13277	83.8
211.15273	2.9
215.57649	1.6
223.13306	3.4
255.58289	1.5
257.19055	2.0
275.20029	9.2
293.21051	100.0
297.65442	1.4
311.22052	27.6
346.27383	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	346.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86765	0.8
55.01865	1.7
57.06815	0.9
57.07070	13.6
58.45851	0.8
63.14721	0.8
67.05501	1.5
69.07044	1.3
70.06583	27.2
71.08621	7.3
72.91847	0.9
73.60532	0.8
75.14656	0.8
79.05470	5.6
81.07043	4.7
84.08113	1.2
85.10191	1.2
86.09641	1.0
88.07619	25.5
90.51212	0.8
91.05470	2.3
92.08669	1.3
93.07040	1.4
95.04977	1.5
95.08584	2.1
102.09156	0.9
103.05453	3.8
105.04442	0.9
105.07018	68.4
106.08646	2.2
107.04925	1.5
109.06519	4.3
114.09175	8.5
118.08643	1.0
118.67960	0.9
122.03660	1.4
124.05180	1.5
130.08696	0.8
131.04874	1.1
132.10185	31.4
133.06473	62.4
137.05965	90.5
150.11246	25.8
165.09090	100.0
178.52205	1.0
190.49431	0.9
270.27838	1.6
284.29391	1.9
302.30603	7.8
346.33118	84.2
356.60712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
53.88428	2.2
54.40079	2.7
55.01868	5.3
55.05507	32.1
57.03421	14.1
57.07068	34.2
58.37682	2.4
64.33334	2.2
67.05492	71.4
69.03451	2.9
69.07057	26.1
71.04982	5.3
71.08633	2.8
73.02876	3.2
79.05473	47.5
81.03387	12.9
81.07037	69.4
83.04971	22.8
83.08590	11.7
85.06520	2.6
85.10168	57.9
91.05464	43.1
93.07029	51.3
95.04949	16.9
95.08588	73.0
97.06519	18.0
97.10143	9.5
99.08101	3.3
105.07053	20.1
105.96887	2.7
107.08569	15.6
109.10168	19.7
111.08008	3.8
113.09625	59.2
117.06999	5.3
119.08582	26.4
121.10100	16.0
123.08044	3.4
123.11739	3.5
125.09531	2.8
129.07048	3.9
131.08563	13.0
133.10092	10.9
135.11678	23.8
137.09547	3.9
139.11147	2.9
141.12692	4.8
143.34010	2.5
145.10143	5.2
159.10117	2.7
159.11771	4.2
165.12692	13.9
167.14275	5.2
173.11739	10.1
181.12094	2.6
219.94820	2.4
247.20363	5.1
265.21588	77.0
275.20093	4.2
283.22668	4.4
293.21216	3.5
311.22110	100.0
358.07764	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25116	0.5
53.00301	0.8
53.03933	2.2
55.01865	7.2
55.05506	29.9
57.03429	5.3
57.07065	1.3
65.03930	0.9
67.05494	58.7
69.03423	2.5
69.07056	36.4
71.04983	4.3
71.80842	0.6
79.05476	41.6
81.03406	4.3
81.07040	100.0
83.04955	7.2
83.08603	18.3
85.06531	3.9
91.05462	34.9
93.07023	50.9
95.04957	8.9
95.08585	35.4
97.06519	10.8
97.10149	11.0
99.04410	0.8
99.08084	3.1
100.28161	0.7
105.07017	32.0
107.04934	7.0
107.08576	42.5
109.06484	8.1
109.10149	13.2
111.08060	5.8
117.07005	11.9
119.08559	22.1
121.06491	4.9
121.10130	17.1
123.08073	5.9
123.11693	6.9
125.09601	8.9
127.07580	0.6
129.07008	2.2
131.08540	16.9
133.06400	0.8
133.10107	25.3
135.07109	0.7
135.07993	5.1
135.11652	11.4
137.05978	7.5
137.09578	1.2
139.11157	0.6
142.66243	0.6
143.08546	1.4
145.10132	10.7
147.08057	0.7
147.11679	10.0
149.09616	12.6
149.13239	18.8
151.11163	3.4
152.22705	0.6
155.08594	0.8
157.10089	3.6
159.11656	14.9
161.13219	3.7
163.11169	7.2
165.12714	1.0
169.10138	1.4
171.11716	2.5
173.09784	0.6
173.11887	0.7
173.13274	3.8
175.11139	1.0
175.14688	0.7
177.12686	7.1
179.14294	1.3
183.11699	1.3
187.11176	0.9
187.14738	0.9
189.11163	5.6
189.12682	0.9
195.13785	29.8
195.15608	1.2
197.13286	1.3
213.14812	19.7
213.16678	1.1
219.17023	0.7
229.19521	0.8
231.36172	0.6
235.16988	0.8
239.17941	4.0
247.20607	1.5
257.18945	7.0
260.65396	0.6
265.21542	1.0
270.08774	1.4
275.20020	53.2
293.21063	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	346.1967
Annotation	Asp Val Leu
Peak:m/z	Relative Intensity
54.81578	0.4
55.01840	0.5
55.05502	7.9
56.04994	0.4
57.05820	0.4
58.59855	0.5
63.63742	0.4
70.06573	2.8
72.08134	100.0
82.06558	9.4
83.36978	0.5
84.04523	0.4
84.08107	0.5
85.02875	0.9
85.04006	1.2
86.09686	22.1
88.03964	16.9
91.05455	0.7
94.06533	0.6
96.08108	5.7
98.02389	4.9
98.09703	0.9
99.05575	0.6
99.09196	4.9
107.08573	0.5
108.08113	0.9
110.02376	0.8
123.04402	2.8
124.07568	5.5
127.08645	26.1
128.07028	5.2
132.10165	5.2
133.06500	0.6
137.05962	1.1
137.10526	0.7
138.09100	0.8
141.10223	2.3
142.08607	37.5
147.04381	2.4
149.05983	0.9
152.07034	0.9
169.09665	6.4
170.08078	3.9
184.09718	2.3
187.10741	79.8
215.10214	20.8
341.33688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.8
55.01857	4.1
55.05502	15.2
56.77517	0.7
57.03424	3.3
60.77845	0.9
67.05149	1.4
67.05493	31.7
69.03409	1.5
69.07061	17.0
70.93697	0.7
71.04972	1.5
76.18359	0.9
79.05471	22.4
79.57441	0.8
81.03399	3.1
81.07040	49.8
83.04942	3.7
83.08607	8.1
85.06530	1.3
91.05463	18.9
93.07024	25.2
94.04151	1.3
95.04943	5.3
95.08586	18.0
97.06512	7.2
97.10129	6.2
98.97578	1.4
99.08055	1.3
105.07015	16.8
107.04913	4.2
107.08582	20.4
109.06505	4.5
109.10136	5.4
111.08051	1.8
117.06995	7.1
119.08559	14.2
121.06519	1.6
121.10119	7.5
122.03625	9.1
123.04382	1.1
123.08019	1.9
123.11701	1.2
125.09608	4.2
129.06970	4.8
131.08572	8.0
133.10109	13.4
134.99628	1.4
135.08025	1.8
135.11708	6.4
137.05957	100.0
137.09576	1.6
143.08527	1.0
145.06462	1.3
145.10068	5.5
147.08034	1.2
147.11667	5.3
149.09564	5.8
149.12178	0.9
149.13229	8.6
151.11153	0.9
157.10040	1.0
157.81825	0.9
159.11659	5.4
163.07561	0.9
163.11125	3.1
165.14987	0.8
173.09561	0.8
173.13188	1.5
177.12730	1.4
181.06474	1.1
189.11238	1.5
195.13774	12.2
209.05904	1.6
210.06847	1.4
211.07498	8.8
213.14769	6.7
218.07266	1.4
220.05327	2.9
221.05902	1.0
227.07065	7.9
233.09515	4.4
237.05446	3.9
238.06203	1.9
239.06975	15.5
255.06429	8.8
257.08002	4.3
257.18964	1.8
261.09036	3.5
266.64145	0.9
270.08804	23.4
275.20041	22.5
279.10056	4.1
283.09485	3.8
288.09790	8.5
293.11642	1.8
293.21124	6.0
311.12552	7.9
346.23761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2034
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
77.18932	5.3
100.76623	6.0
102.38434	5.1
104.99232	28.8
107.08542	5.7
107.48209	4.4
111.07072	4.5
147.75642	5.0
172.70563	4.9
195.02003	5.4
229.30132	5.2
262.97980	8.2
327.19397	45.7
345.20352	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	345.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05508	28.1
57.03418	11.3
57.07062	9.7
57.63695	1.5
60.45126	1.5
67.05493	48.6
68.05830	4.1
68.84546	1.6
69.03440	1.8
69.07056	32.9
71.04978	6.7
71.08601	3.1
75.60712	1.6
79.05483	28.4
81.07043	100.0
82.07377	11.4
83.04992	3.5
83.08603	14.9
85.06535	3.2
91.05462	22.9
92.05801	6.7
93.07020	44.8
94.07343	3.8
95.04973	12.6
95.08588	73.6
96.05283	2.3
96.08881	1.9
97.06503	8.1
97.10162	8.9
103.05483	2.1
105.07002	26.3
106.07366	4.2
107.04916	2.2
107.08572	38.4
108.08929	4.3
109.06483	4.0
109.10136	37.2
110.06873	1.9
110.10488	3.7
111.08047	2.3
117.05444	1.9
117.06972	2.5
119.08553	16.1
120.08884	3.1
121.10128	21.7
123.08087	2.7
123.11668	14.5
129.07016	1.8
132.08907	2.5
133.06482	2.8
133.10089	18.4
134.10455	8.2
135.04416	12.4
135.11736	12.3
136.04752	4.0
137.05998	2.7
137.09602	2.9
137.13272	2.6
145.10052	1.8
147.11699	11.6
148.12003	2.3
149.09555	2.1
149.13239	17.5
151.11180	3.9
152.11476	2.7
158.10481	2.2
163.14836	2.4
165.12732	2.0
176.11508	2.4
177.09096	2.3
177.16321	2.2
180.18112	1.6
187.06720	1.9
193.12361	2.4
194.12547	2.2
211.13258	6.5
212.13634	10.9
238.05885	4.2
260.69809	2.1
269.07587	3.1
274.18774	2.1
279.26514	3.0
283.62750	1.9
291.26794	4.0
292.19870	7.2
309.27609	2.4
310.11557	1.8
310.52832	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
54.81532	0.9
55.01862	3.0
55.05500	3.2
56.96548	0.6
57.03436	0.6
57.07070	0.7
59.53888	0.5
65.03928	0.9
67.05501	4.9
67.32523	0.6
69.07064	3.7
79.05476	13.2
81.07043	14.1
83.08598	2.1
85.06536	1.3
91.05459	5.4
93.07017	4.0
95.04939	3.4
95.08590	9.4
97.06533	1.0
97.10128	1.2
103.05463	7.8
105.07014	82.2
107.04937	0.7
107.08566	2.7
109.06489	4.0
109.10161	6.1
109.10819	0.7
115.05466	0.9
117.06995	1.0
117.92454	0.5
119.08564	0.6
121.06506	0.7
121.10092	2.6
122.03639	3.3
123.04421	0.8
123.08053	0.6
123.11680	2.7
124.05196	3.6
131.04924	2.6
133.06471	70.1
135.04407	0.7
137.05959	100.0
138.06282	1.4
143.08575	0.7
147.07996	0.9
149.13284	1.1
150.06715	1.2
151.03900	1.2
151.07500	4.1
163.07475	1.3
163.14815	0.8
165.09079	99.3
177.09048	5.0
193.08620	2.3
201.68938	0.6
203.10719	0.8
278.18216	0.7
345.16669	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
61.55788	0.1
65.03905	0.3
66.04704	0.2
79.05473	1.9
81.07023	0.8
86.09692	0.3
87.16271	0.1
91.05456	3.5
93.06998	0.2
94.04163	4.7
95.04942	0.8
103.05445	10.3
105.07005	5.5
107.04939	1.3
108.05734	0.2
109.06506	1.3
111.04436	0.6
115.05396	1.1
117.06991	1.9
119.04908	0.8
119.08537	0.2
120.05685	0.2
121.06501	1.8
122.03622	12.9
123.08022	0.6
128.06172	0.8
129.06964	0.8
131.04900	10.5
133.06464	12.1
135.04387	0.2
135.08022	6.8
136.05208	0.5
137.05952	100.0
138.06302	0.7
138.09132	0.3
143.04875	0.2
143.08521	0.8
145.06467	3.5
147.04413	0.3
147.08025	0.3
149.05943	0.7
151.07520	3.9
157.06450	1.1
159.08072	0.2
160.05138	0.2
161.05960	0.2
162.06772	0.2
163.07506	18.4
165.09084	0.3
171.08031	0.7
174.06706	0.3
175.07497	1.7
177.09091	1.1
179.57764	0.1
187.07507	0.3
188.08215	0.3
189.09090	1.1
202.07712	0.3
203.10612	1.2
206.07401	0.2
207.08040	0.2
214.42809	0.2
217.10214	0.1
219.07912	0.2
220.08806	0.2
235.11093	0.7
245.09505	0.3
247.07584	0.2
248.08551	0.1
263.10632	0.9
288.48273	0.1
295.13235	1.9
327.15872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10926	0.6
53.71617	0.7
55.01860	1.3
55.05489	1.5
61.25114	0.7
67.01998	0.7
67.05484	1.5
69.03407	1.0
69.07058	0.8
76.36959	0.8
79.05486	8.6
80.05771	0.7
81.07037	3.3
85.71217	0.7
91.05466	13.2
92.08580	0.7
93.07015	4.4
94.04184	1.7
95.04958	4.8
95.08582	3.9
97.06518	1.1
99.07966	0.8
103.05452	24.4
104.06218	1.0
105.07014	26.7
107.04939	41.2
107.08593	0.7
109.06491	1.8
114.66722	0.7
115.05432	7.8
117.06978	8.4
119.04929	3.1
119.08545	3.2
120.05630	1.1
121.06462	7.7
122.03617	5.1
123.08100	1.4
124.08461	0.9
128.06190	4.0
129.06949	1.1
131.04907	13.1
132.05675	1.9
133.06476	20.1
133.10143	0.9
135.04404	8.1
135.08037	8.4
137.05957	100.0
143.08549	4.5
145.06482	5.3
145.10104	3.2
146.07219	4.0
147.04413	1.1
147.08066	3.7
148.05208	1.2
149.05978	10.6
151.03894	1.7
151.07504	6.0
155.80771	0.9
160.05176	1.5
160.08826	1.0
161.05949	4.0
161.09595	3.4
162.06741	4.1
163.07506	34.1
164.08308	14.5
165.09094	23.8
166.07777	1.0
171.08025	1.4
175.07506	51.3
175.11107	6.5
177.09082	3.2
178.07794	1.0
179.08409	1.1
181.06496	1.2
181.08589	6.7
188.08311	1.6
193.06384	1.1
203.10651	19.9
207.08005	1.0
221.06009	1.1
221.11714	18.4
267.10175	1.0
267.13776	0.9
285.11188	1.5
299.12936	1.3
327.15933	0.9
345.17041	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
53.44504	0.4
55.01865	3.0
55.05493	0.9
58.55337	0.5
63.66917	0.4
67.05489	3.1
69.07059	1.3
76.56082	0.6
79.05479	12.3
81.07020	5.0
87.55308	0.6
91.05456	3.9
91.82140	0.5
92.63768	0.6
93.07034	2.9
94.04173	0.8
95.04945	3.0
95.08587	1.1
97.06506	0.8
103.05442	7.9
105.07014	86.1
107.04954	2.3
107.08594	0.8
109.06491	4.6
109.10109	1.1
111.04430	3.1
115.05470	0.6
117.06966	1.2
119.01542	0.5
119.08591	1.2
121.06447	1.0
121.10129	1.0
122.03622	2.6
124.05196	2.9
129.06961	0.6
131.04909	3.1
133.06470	65.9
135.04419	0.7
135.08073	0.6
137.05959	100.0
143.08588	1.0
145.06544	1.0
147.04393	1.3
149.05899	0.8
150.06760	1.1
151.07497	4.5
163.07527	1.4
165.09079	90.1
167.07074	0.7
177.09122	3.3
179.07074	0.9
179.08586	0.6
181.06474	0.9
181.08601	1.0
185.05956	0.7
188.08307	0.7
189.09151	0.8
193.08557	4.7
195.08028	0.7
197.05968	0.9
209.05882	0.7
211.07518	0.6
221.11705	2.6
223.07480	1.1
235.07582	0.7
237.08908	0.7
239.06927	0.7
240.07820	0.9
253.08450	1.0
269.08066	0.7
281.07971	1.1
281.11792	1.0
295.09692	0.8
339.28983	0.6
344.25815	0.7
345.16629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1691
Annotation	Oleiferin F
Peak:m/z	Relative Intensity
55.01850	0.4
65.03928	5.2
67.05483	0.7
69.07037	0.6
79.05464	4.4
81.06995	0.5
83.04958	0.5
84.67573	0.4
88.09794	0.5
91.05468	5.2
92.64703	0.5
93.03384	8.5
94.04144	2.5
94.44855	0.5
95.04941	2.1
103.05436	2.9
105.07011	23.2
107.04938	3.2
109.06461	1.5
110.03622	1.0
111.03658	0.5
111.04421	11.3
117.07017	0.5
119.04914	3.9
121.06470	0.8
122.03624	6.0
124.05173	1.9
125.05963	11.1
128.06177	0.8
131.04922	0.7
131.08510	2.0
133.06459	20.7
135.08075	0.8
137.05954	100.0
141.05463	0.7
141.06998	0.6
143.08566	6.1
144.05554	0.5
145.06453	4.8
147.04439	0.8
147.08061	0.5
151.03885	35.4
151.04991	3.0
151.07515	17.3
151.08446	0.4
153.05453	15.3
159.08026	2.6
162.06743	2.2
163.07521	0.7
165.09076	21.2
171.08006	5.6
173.05951	0.7
177.09082	2.5
181.08562	2.1
187.30638	0.5
188.08298	5.6
191.10646	0.9
203.10638	12.4
221.09531	0.8
221.11679	22.8
221.13744	0.8
295.13205	0.5
327.15781	2.4
345.16916	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	345.1693
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
51.45524	0.5
55.01868	2.5
55.05511	6.6
56.79335	0.5
57.03424	0.8
57.07059	0.6
59.74997	0.4
65.03935	5.7
67.05496	8.2
68.05814	0.7
69.03418	1.0
69.07058	4.0
71.04982	0.9
71.08636	0.7
79.05487	8.4
81.03394	0.9
81.07036	6.9
83.04966	5.0
83.08598	2.5
91.05460	8.1
91.89305	0.5
93.03394	6.3
93.07032	5.1
94.04184	1.3
95.04961	3.6
95.08578	4.9
97.06511	3.0
97.10146	1.0
99.08113	0.7
102.56768	0.5
103.05459	2.2
105.07019	26.9
107.04961	3.1
107.08607	2.8
108.02101	0.9
109.06519	3.3
109.10139	1.0
111.04436	11.8
111.08096	1.1
115.05533	0.5
117.07013	1.1
119.04915	3.9
119.08563	1.3
121.06464	1.0
121.10139	1.3
122.03612	6.5
122.10465	0.5
124.05226	0.9
125.05970	10.4
125.09617	0.7
128.06204	2.7
129.06990	0.5
131.04892	0.7
131.08578	2.6
133.06483	18.2
133.10110	1.0
135.08029	0.7
135.11691	1.1
137.05962	100.0
139.11194	1.2
143.08519	4.0
145.06488	3.4
145.10068	0.8
147.04488	0.7
149.09560	0.6
149.13203	0.6
151.03900	32.5
151.05011	2.9
151.07527	14.5
153.05450	16.0
159.08028	3.8
161.09631	0.7
162.06740	1.3
163.07552	0.8
165.09085	18.0
171.08043	5.1
177.09099	2.2
181.08626	2.1
188.08296	5.7
191.10703	1.2
203.10626	10.9
221.11713	23.8
223.78793	0.5
227.17915	0.7
239.12822	1.3
263.10477	0.8
263.20197	2.0
264.20383	1.0
264.89050	0.5
275.19949	0.6
293.20728	0.8
295.13266	0.8
309.20554	1.0
327.15881	2.0
333.28317	0.6
345.16882	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	345.1331
Annotation	Piperphilippinin I
Peak:m/z	Relative Intensity
51.02357	0.7
51.08255	0.3
52.91645	0.3
53.03933	0.6
55.01855	1.5
57.03402	0.4
58.58088	0.3
69.03410	0.7
77.03902	0.5
79.05472	5.0
81.07025	0.5
83.04941	0.4
91.05445	4.4
91.05907	0.3
92.09332	0.8
93.07001	2.5
95.04945	4.3
103.05448	26.0
105.03403	0.7
105.07012	8.7
107.04951	3.5
109.06509	0.7
115.05423	1.0
117.06999	0.5
119.04912	0.8
121.06488	14.6
122.03582	0.9
123.04392	2.7
128.06189	1.7
129.06992	4.5
131.04901	43.0
133.06465	8.0
134.03619	0.8
135.04393	100.0
137.05949	13.3
137.06927	0.8
141.06982	0.5
143.04869	0.5
144.05652	0.7
145.06477	0.9
147.04395	2.2
147.08020	0.6
149.05960	53.1
151.03877	0.5
151.07549	0.7
153.07001	0.4
155.08464	0.6
157.06476	2.2
160.05161	2.0
161.05951	37.1
162.06752	0.7
163.07492	10.0
165.07014	0.6
165.09103	6.0
169.39967	0.4
173.05968	2.3
174.06790	0.5
175.07523	11.0
177.09070	5.4
178.07765	2.0
179.08478	3.8
182.07199	0.7
183.07961	0.7
187.07465	0.8
190.07788	0.7
193.09976	0.7
195.07971	0.5
197.09592	0.5
202.07739	0.5
203.10606	0.7
205.06491	0.4
206.07399	0.5
207.07980	3.6
209.09644	0.5
210.06776	0.7
215.14668	0.4
218.07275	0.4
221.09554	2.1
225.09061	1.0
233.09561	0.8
235.07497	2.5
237.08946	0.6
239.10666	0.7
249.09114	1.8
251.07059	0.7
253.08568	7.3
261.08951	0.5
265.08533	3.2
267.10059	2.6
279.10071	0.6
283.09592	7.1
297.11185	11.0
297.14307	0.7
309.11139	1.5
322.99353	0.5
327.12228	5.9
327.15869	0.6
345.13272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03930	1.8
54.81833	0.3
55.01856	2.1
58.99253	0.3
65.03899	0.4
67.05494	0.6
69.03418	0.5
69.07062	0.4
71.28065	0.4
77.03922	0.7
78.04675	0.5
79.05474	4.2
81.07022	0.7
83.04972	0.6
83.18967	0.3
86.09666	0.5
91.05457	5.7
92.09315	0.6
92.64128	0.3
93.07021	3.2
95.04955	4.3
95.08569	0.5
103.05450	22.3
105.03406	0.9
105.04502	0.4
105.07025	7.9
107.04926	4.6
109.06519	0.5
111.04491	0.4
114.37524	0.4
115.05419	2.2
117.07034	0.8
119.04880	0.7
119.08578	0.5
121.06496	15.6
122.03619	0.5
123.04406	3.1
124.05155	0.6
128.06183	1.7
129.06992	3.9
131.04909	41.6
132.05634	0.4
133.06479	9.8
133.07416	0.8
135.04398	100.0
137.05957	11.3
141.06937	0.4
144.05643	0.9
145.06459	1.6
147.04416	2.5
147.08044	0.4
148.05080	0.4
149.05962	52.3
151.07547	0.8
153.05568	0.4
154.07747	0.4
157.06459	2.0
159.04402	0.7
160.05173	1.6
160.42508	0.4
161.05952	36.3
162.06731	0.4
163.07510	10.8
163.08755	0.7
163.37434	0.4
165.06947	0.8
165.09056	3.6
169.00714	0.4
171.07983	0.5
173.05974	3.4
175.07510	9.4
177.09084	4.4
178.07745	3.0
179.08594	4.5
182.07167	0.5
183.08090	0.5
187.07639	0.7
193.10124	0.7
195.07985	0.6
197.06108	0.4
203.10721	0.6
203.36542	0.4
205.10150	0.6
206.07280	0.5
207.07979	4.0
208.29379	0.4
210.06816	0.9
221.09639	1.5
223.07645	0.6
225.09087	1.8
231.08014	0.5
235.07521	2.5
237.09177	0.5
239.10593	0.8
249.08958	0.5
251.06976	0.7
251.10681	0.5
253.08527	5.6
265.08545	3.7
267.10159	2.1
279.10056	0.9
283.09564	8.2
297.11145	12.1
309.11246	1.5
327.12311	6.7
335.17670	0.4
345.13403	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
53.03937	0.5
55.01871	0.7
57.03431	0.4
60.67400	0.3
62.18361	0.3
62.74167	0.3
63.37812	0.2
65.03898	0.3
65.11300	0.3
65.16204	0.3
67.05490	1.7
68.99770	3.1
79.05483	3.6
81.07033	2.3
91.05467	1.3
93.07015	0.7
95.04951	2.9
95.08591	1.5
95.57986	0.3
99.30804	0.4
103.05455	7.3
105.03374	1.7
105.07011	3.6
109.06499	1.6
111.08031	0.7
115.05438	0.4
119.04951	0.7
121.06500	0.5
123.04404	2.3
123.08052	0.7
131.04910	12.7
133.06453	3.7
135.04396	78.9
137.05974	3.8
146.18149	0.4
149.05956	2.7
151.03888	41.5
151.07509	9.0
159.08067	0.5
161.05952	15.2
163.03903	0.5
163.07507	2.0
165.05478	1.5
165.07034	0.4
167.08531	2.0
176.06396	0.4
177.05482	6.7
177.06935	1.1
177.09059	0.4
179.07002	100.0
180.07260	0.5
181.06528	0.6
185.84644	0.3
189.06929	0.6
190.07745	2.6
191.07062	2.5
195.08072	4.2
199.07498	0.7
205.06691	2.7
205.08473	1.3
205.10107	5.4
207.07980	0.8
209.05960	0.6
210.06609	0.5
211.07584	0.5
211.93208	0.4
215.08603	0.5
218.07191	3.5
219.07994	0.6
221.06029	0.4
222.06738	0.8
223.07487	3.9
225.05435	0.8
225.09073	1.4
227.07030	0.6
233.05949	1.9
233.09532	6.7
235.07475	3.7
236.08260	0.5
237.09085	3.6
238.06218	1.5
239.07088	0.8
239.10828	0.5
247.07457	0.7
248.08333	1.7
251.06982	3.7
251.10561	3.0
253.04813	0.4
253.08649	3.8
255.06485	0.8
261.09039	5.2
263.06894	2.6
263.10608	3.2
264.07813	0.6
265.08542	5.7
266.05627	0.7
268.07263	2.3
275.06985	0.4
276.07770	2.2
279.10110	5.0
281.08017	9.0
281.11581	1.9
283.09647	0.7
291.10089	5.2
294.08786	3.5
299.09091	6.9
309.11179	12.1
327.12375	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	345.1329
Annotation	Calaxin
Peak:m/z	Relative Intensity
53.03933	0.8
54.06742	0.6
55.01870	1.7
55.05504	12.7
57.03427	4.5
66.02526	0.6
67.05490	13.6
68.87946	0.7
69.03410	0.9
69.07050	13.4
70.31128	0.6
71.04982	2.6
76.65238	0.7
79.05471	12.2
81.03371	1.2
81.07038	18.8
83.04959	2.7
83.08592	6.6
84.18717	0.6
85.06512	0.7
91.05476	10.2
93.07018	9.6
94.04167	1.5
95.04944	4.6
95.08587	22.1
97.06515	4.8
97.10143	0.9
101.70764	0.6
103.05447	15.8
105.07014	22.9
107.04949	2.5
107.08588	4.8
109.06526	2.7
109.10133	4.0
111.04444	0.9
111.08031	1.1
114.15541	0.7
115.05455	3.2
117.07018	5.2
119.04937	3.3
119.08545	5.5
121.06445	5.1
121.10149	3.0
122.03601	8.0
123.04426	0.9
123.08044	3.4
123.11649	1.0
125.09622	0.8
128.06242	0.7
129.07001	3.9
130.04111	0.9
131.04895	18.8
131.08511	1.4
133.06483	13.1
133.10097	1.3
135.04388	8.4
135.08012	3.1
135.11676	1.2
137.05957	100.0
139.05397	2.9
143.04980	1.2
143.08510	1.4
145.06459	1.5
147.04404	10.9
147.11702	1.0
149.05962	2.8
149.09554	0.8
151.03922	2.9
151.07545	11.3
151.11143	0.8
152.04208	0.7
153.06955	1.1
157.06447	3.1
159.04381	5.8
159.08063	0.7
160.05164	5.6
161.05969	4.0
162.06760	3.2
163.03864	3.3
163.07523	17.3
165.06952	1.5
165.09077	17.3
166.07684	0.8
167.04875	2.8
167.08577	1.4
173.05951	3.1
175.03893	9.6
175.07472	7.9
177.09079	59.2
179.08557	2.4
181.06422	3.1
185.05952	8.3
187.03893	20.1
189.05505	3.5
190.07829	0.9
193.04921	19.7
193.06566	1.1
194.07085	1.0
195.08032	2.7
195.10170	3.6
201.05501	2.6
203.06996	17.9
205.10110	3.3
207.08138	1.2
208.09027	0.8
209.05945	0.8
209.09564	0.9
210.06645	0.8
211.07573	2.9
214.06123	0.7
221.11699	3.9
222.06744	3.3
223.07520	2.7
223.11131	1.0
224.08224	0.9
225.05467	1.2
225.08978	1.0
233.09587	2.4
235.07544	9.2
235.20416	0.9
237.09053	3.2
238.06245	0.8
239.07076	3.0
241.12202	0.9
248.08272	1.0
249.09056	1.0
251.10593	1.3
252.19998	0.7
253.08546	3.6
263.10657	3.9
267.10068	0.7
281.08417	0.7
281.11667	4.5
291.10056	2.7
296.67249	0.7
298.11951	4.3
299.12683	5.6
309.11166	6.9
309.24237	1.0
327.12192	24.9
327.15817	1.3
327.21719	2.3
327.25247	4.8
345.26285	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	345.133
Annotation	2,5,7-Trihydroxy-6,8-dimethyl-3-(4'-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
52.93947	1.5
53.03942	2.5
55.01866	4.1
55.05501	2.7
57.03418	2.5
57.73175	1.7
62.23765	1.7
64.33002	1.6
67.05492	15.1
69.03438	3.5
69.07066	7.6
71.04971	4.8
79.05469	25.7
81.07044	22.1
83.04969	2.4
83.08595	3.0
85.06532	4.5
89.52101	2.0
91.05466	19.1
91.56506	1.8
92.09335	5.0
93.07020	21.9
93.42244	1.8
94.04179	3.4
95.04963	12.2
95.08575	14.3
97.06537	10.9
102.04648	2.4
103.05459	26.1
105.07018	29.3
106.07334	2.3
107.04945	8.8
107.08598	8.5
109.10158	3.3
111.04416	2.2
115.05489	8.4
117.07023	7.7
119.04973	2.1
119.08579	2.7
121.06509	12.0
121.10128	2.3
122.03646	9.2
128.06265	2.4
129.07011	3.8
130.04161	4.1
131.04897	39.3
131.08586	4.8
133.06496	18.3
133.10107	2.4
134.36438	1.9
135.04399	68.0
135.08051	11.6
135.11717	3.2
137.05959	88.4
141.07088	1.9
143.04938	3.3
145.06508	7.5
147.04387	4.0
147.08078	2.4
149.05978	2.4
151.03928	2.6
151.07553	8.5
153.06953	4.7
155.08475	2.3
157.06482	2.8
159.04395	24.8
160.05209	20.6
161.05969	12.9
163.03889	14.6
163.07500	15.2
165.06970	8.5
165.09117	8.5
166.07747	3.0
167.08565	4.1
171.04366	3.0
173.05997	14.5
175.07486	3.2
177.09094	10.2
179.03452	2.9
179.08554	8.7
180.09183	1.8
181.06482	9.2
181.10277	2.1
185.05898	14.5
187.03873	100.0
187.07449	2.6
189.05421	4.4
190.07780	4.2
191.08470	2.0
195.08084	12.1
197.05936	3.0
199.03775	3.7
199.07605	4.7
201.05464	8.9
205.10133	10.1
207.08061	4.2
209.05858	2.4
209.09682	3.0
210.06743	2.6
211.07564	10.8
213.09186	3.1
215.07040	7.6
222.06760	8.1
223.07538	8.9
223.11044	3.0
225.05472	8.1
225.09096	4.5
233.09558	4.6
235.07538	23.0
237.09102	4.5
239.07005	11.6
240.07928	2.5
241.08557	2.6
243.06366	2.8
251.10660	6.7
253.08464	17.0
263.07016	2.5
263.10654	8.4
267.10092	3.8
273.18295	2.8
278.49692	2.5
281.08261	4.2
281.11740	15.1
285.11353	4.4
291.10089	4.4
298.11929	10.0
299.12628	7.2
309.11200	24.7
320.21225	2.0
327.12204	71.1
327.15848	3.7
345.13214	13.1
363.59406	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	345.1328
Annotation	Piperphilippinin I
Peak:m/z	Relative Intensity
53.03941	1.7
55.01856	2.9
55.90061	0.9
56.96537	1.7
67.05493	1.9
67.34750	1.0
75.40178	1.1
75.87851	1.1
79.05466	7.2
81.03394	1.4
81.07023	2.8
85.02837	1.6
86.01696	1.1
88.31615	1.0
91.05460	14.2
93.07009	2.9
94.04117	1.1
95.04943	2.7
95.08556	2.6
103.04831	1.7
103.05455	26.0
105.07024	10.4
106.07361	1.3
107.04935	7.4
109.02890	1.3
109.06471	1.5
111.04421	2.5
115.05438	5.7
117.06979	2.0
118.04089	1.2
119.08557	1.3
121.06500	23.0
122.03593	5.4
123.00743	1.3
123.04390	4.8
125.06021	1.6
128.06189	1.1
129.06969	7.0
131.04904	43.1
133.06502	11.7
135.04402	100.0
135.08058	1.7
137.05962	79.2
141.06908	1.9
143.04887	2.2
145.06488	2.8
146.03558	2.8
147.04401	5.4
149.05972	58.0
151.03867	1.7
151.07498	7.1
153.05434	2.3
153.07072	1.5
154.07782	1.6
157.06493	2.0
160.05151	5.9
161.05952	78.1
163.07518	14.1
165.06949	29.4
165.09076	4.1
166.07751	1.2
166.09245	1.5
167.08508	2.7
173.05920	1.1
175.07492	16.6
177.06915	1.7
177.09132	10.5
178.07648	5.3
179.03375	1.8
179.07011	4.6
179.08521	9.7
181.06467	7.8
182.07288	12.9
183.08063	1.5
188.04698	13.4
189.06960	2.6
191.07013	4.6
193.06491	29.0
194.07217	5.3
195.07996	5.2
196.08755	2.2
197.05962	1.9
197.09570	6.3
199.07462	2.1
203.07071	16.7
205.08633	2.6
207.02846	2.3
207.07967	9.2
209.05934	2.9
210.06740	33.6
211.07481	7.2
213.08998	1.6
218.07109	1.6
221.05963	38.7
221.09425	1.6
222.06665	2.4
223.07539	4.7
224.08333	11.8
225.09074	54.1
227.07034	8.4
234.06755	4.7
235.07530	8.8
237.05428	2.0
237.09248	1.9
238.06213	28.4
239.06992	5.5
239.10658	6.9
242.09303	1.8
249.09067	5.1
251.07014	6.1
252.07799	12.1
253.08554	80.5
255.06505	11.2
265.08530	5.9
266.09329	1.3
267.10168	29.7
269.08185	1.5
270.08798	10.4
271.09854	1.3
277.08481	6.5
279.06485	1.5
280.07236	2.1
281.08292	1.5
283.09485	9.7
284.06598	1.8
285.11176	94.9
294.08713	2.0
295.09616	7.1
297.11105	12.1
299.12631	2.0
309.11200	11.4
327.08832	4.4
327.12210	72.8
345.13303	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	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	44.1
55.05507	47.6
56.72962	4.5
57.03409	4.4
57.07069	12.3
67.05484	54.0
69.07058	20.6
71.08617	31.4
74.52448	5.2
77.19482	5.6
79.05473	30.6
81.03386	7.6
81.07041	61.6
82.76369	4.4
83.04967	11.9
83.08600	37.3
85.10179	10.9
88.07620	20.8
91.05434	38.7
93.07036	36.1
95.04921	4.3
95.08588	34.0
97.06516	11.8
97.10131	5.1
99.08082	20.5
104.99277	9.8
105.07004	33.9
106.08741	5.4
107.04966	5.8
107.08588	23.5
109.06528	5.8
109.10139	11.3
111.08054	40.7
113.09656	23.0
119.08578	20.7
121.10098	8.7
133.10127	24.1
135.11681	6.4
145.10071	5.9
146.55197	4.8
147.11696	26.3
149.09575	5.7
149.13235	6.4
151.11208	19.4
161.13231	6.3
165.12721	24.2
169.85959	6.0
171.01364	5.4
179.14262	8.8
210.43059	4.9
250.08342	5.3
259.20551	5.4
262.97961	6.5
277.21576	100.0
283.26642	5.4
295.22598	26.5
309.24033	41.0
316.04935	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	345.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01857	1.1
55.05488	0.9
56.96554	1.1
64.42699	0.7
67.05485	0.8
67.88123	0.7
70.06566	0.7
71.07150	0.6
72.26338	0.7
76.27888	0.7
79.05470	6.3
81.03361	1.1
81.07027	3.2
85.02878	3.1
91.05453	8.2
92.08681	1.5
93.07016	3.7
94.04141	1.0
95.04940	5.1
95.08555	0.8
103.04762	0.9
103.05449	25.6
105.03356	1.7
105.07021	9.0
106.86874	0.7
107.04929	4.8
109.06478	3.3
109.07189	0.7
111.04434	1.5
115.05428	3.8
117.06994	1.7
117.07798	0.8
118.04128	1.0
119.04932	1.2
121.06483	17.2
122.03609	6.0
123.04377	3.3
128.06190	1.1
129.06984	4.3
131.04906	44.0
133.06476	10.9
135.04398	100.0
135.07988	1.1
137.05957	45.3
143.04897	1.8
144.05730	1.0
145.06451	3.7
146.03583	1.6
147.04373	4.1
147.08055	1.2
149.05962	58.2
151.03859	1.3
151.07524	3.9
153.05469	1.7
153.06937	1.3
157.06499	3.2
160.05161	4.6
161.05945	46.2
162.06651	1.1
163.07533	12.0
165.07001	9.3
165.09053	1.8
167.08585	1.1
171.08015	1.0
173.05981	3.0
175.07513	12.5
177.09093	8.1
178.07715	3.2
179.08487	7.2
181.06499	3.4
182.07262	5.8
188.04657	3.0
193.06454	8.7
193.10089	1.0
195.08107	1.4
196.08778	0.8
197.05966	0.9
197.09615	3.7
203.07028	5.0
207.08026	5.7
209.05954	0.9
210.06706	10.2
211.07509	3.7
219.07941	1.1
221.05966	12.9
221.09612	1.7
221.11568	0.9
223.07561	1.4
224.08281	3.7
225.09090	17.0
227.07082	3.2
233.09578	1.3
234.06635	1.6
235.07506	4.3
238.06219	10.8
239.06982	1.9
239.10544	1.3
249.09140	2.8
251.07011	1.5
252.07762	5.1
253.08556	31.0
254.09285	1.3
255.06348	3.8
256.07278	1.1
265.08554	3.4
267.10187	9.5
269.08072	1.9
270.08850	5.0
283.09576	8.6
284.06729	3.5
285.11185	30.7
295.09564	1.5
297.11136	10.7
309.11252	5.7
327.08490	4.6
327.12192	25.5
327.15808	1.1
345.09448	2.3
345.16879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	4.6
53.03923	2.2
55.01874	2.8
55.05507	27.1
57.03430	7.2
57.07068	34.8
67.05490	35.2
69.03413	2.1
69.07048	19.7
71.04961	2.4
71.08585	1.8
79.05477	23.7
81.03395	14.0
81.07042	33.0
83.04960	16.8
83.08602	10.2
85.02865	1.8
85.10168	66.0
85.71245	1.6
91.05466	26.2
93.07040	25.8
95.04947	15.2
95.08585	26.7
97.06501	3.4
97.10153	3.9
99.08027	1.9
100.34517	2.1
104.00914	1.8
104.99243	9.0
105.07034	18.1
107.04927	20.1
107.08575	15.4
109.06507	3.3
109.10132	6.6
113.09618	46.5
117.06999	3.0
119.08544	3.9
121.10114	9.0
123.08076	7.8
123.11706	2.7
129.07008	2.6
131.08566	3.0
133.10115	7.5
135.11688	4.4
143.08594	2.7
145.10135	2.5
146.33246	2.1
147.11656	9.9
149.09624	14.8
157.10039	2.2
163.11154	6.8
165.12721	60.4
171.11714	2.6
173.13426	2.1
175.11215	7.6
179.14313	3.2
181.34239	1.9
197.37810	1.7
207.13860	1.9
259.20535	4.1
262.98053	2.4
277.21564	59.1
295.22638	100.0
309.24347	7.9
327.25198	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61911	2.0
53.03939	4.3
55.01867	32.1
55.05508	40.0
57.03427	15.0
57.07066	3.9
67.05497	81.1
69.03436	9.7
69.07054	64.9
71.04986	10.4
74.65338	2.1
79.05476	77.2
79.05905	4.3
81.03401	15.6
81.07040	100.0
83.04968	26.2
83.08610	13.2
87.04458	3.8
88.02945	2.1
91.05471	31.0
93.07027	99.0
93.16079	2.1
95.04945	22.8
95.08593	88.1
97.06509	26.6
97.10172	2.6
104.99268	9.0
105.07004	24.4
107.04947	5.2
107.08569	43.0
109.06490	2.8
109.10147	14.5
111.08103	5.0
117.07014	5.0
119.08562	18.6
121.06495	4.5
121.10119	63.0
123.08070	9.4
123.11704	3.3
129.07074	2.7
131.08533	10.1
133.10139	9.8
135.11671	2.4
137.09583	11.4
139.11179	25.9
145.10178	3.1
147.11720	2.8
149.09592	4.3
151.11183	2.8
161.09605	2.7
167.10658	39.8
185.11717	66.5
185.13351	3.4
193.12279	11.8
202.09795	2.2
226.44344	2.4
245.18938	2.7
262.98093	4.2
263.19995	27.1
281.21124	13.8
291.19507	4.0
309.20523	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	26.2
57.03434	1.8
57.07064	1.7
59.04979	2.6
67.05496	22.0
69.07057	14.3
71.04983	16.9
73.06542	10.1
79.05472	12.7
81.07040	71.5
83.04907	1.6
83.08608	31.3
83.92913	1.1
85.06532	3.2
87.04467	2.3
88.07667	1.4
91.05445	7.8
93.07008	3.3
93.72910	1.3
95.08585	68.4
97.10160	14.5
104.99279	7.6
105.07014	17.1
107.08570	18.0
109.10155	26.1
119.08559	4.9
121.10137	6.3
123.11666	1.7
127.11167	33.2
137.13242	36.0
147.11668	19.0
155.14264	5.4
161.45291	1.3
165.12810	2.2
183.13698	2.0
201.14836	100.0
224.99544	1.6
262.98090	2.7
292.19354	1.4
327.25278	29.1
332.61813	1.6
344.31625	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	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	3.2
53.03936	3.8
53.36544	1.8
53.61215	1.9
55.01856	3.2
55.05502	48.5
57.03428	18.5
57.90767	2.2
59.54957	2.1
67.05494	92.5
69.03407	5.1
69.07056	39.8
71.01333	15.7
71.04981	3.8
78.51507	2.3
79.05470	68.2
81.03406	23.7
81.07044	100.0
81.07532	3.6
83.04958	21.8
83.08607	10.7
85.02876	2.5
91.05466	69.5
93.07014	44.4
95.04955	26.9
95.06405	2.5
95.08584	37.5
97.06495	5.3
97.10161	3.8
97.81314	2.5
104.99287	12.1
105.04501	2.2
105.07029	39.7
107.04943	3.2
107.08568	24.9
108.49738	2.3
109.06503	10.5
109.10145	14.1
116.98645	2.8
117.06997	5.6
119.08559	22.6
121.06504	2.4
121.10133	14.8
123.08033	5.4
123.11724	3.0
129.07001	2.5
129.46750	2.2
131.08572	9.8
133.10107	15.3
135.11652	4.5
136.31482	2.3
142.07750	2.2
145.10106	9.8
147.11696	10.0
149.09634	4.7
159.11679	3.3
161.13223	2.9
193.12247	3.2
238.05270	2.3
257.22662	3.1
258.51166	2.4
333.49783	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17170	1.0
53.03943	4.8
55.01868	6.4
55.05267	1.5
55.05507	21.8
57.03429	5.4
64.96299	1.3
65.03930	2.5
67.05141	2.4
67.05498	58.3
69.03413	6.2
69.07055	27.8
71.04993	5.9
79.05476	36.9
81.03403	6.2
81.07041	100.0
83.04961	10.0
83.08612	7.3
85.06528	5.2
87.04455	4.6
91.05462	23.5
92.86924	1.4
93.07029	32.6
95.04948	14.5
95.08588	26.6
97.06508	13.8
99.08063	9.1
105.07017	21.8
107.04977	1.9
107.08572	17.8
109.06517	16.2
109.10125	9.4
111.08073	5.9
115.03923	2.1
117.07008	6.1
118.25297	1.2
119.08569	19.0
121.10123	19.2
123.08070	7.6
125.09619	2.3
129.06985	2.4
130.89886	1.3
131.08539	8.7
133.10100	15.1
135.04399	3.0
135.08093	1.4
135.11642	14.6
137.09625	4.8
143.08560	5.0
143.84900	1.3
145.10121	6.9
147.11617	12.5
149.13309	1.5
151.11162	5.3
159.11696	2.4
163.11221	2.5
163.14767	1.5
165.12712	2.2
171.11690	1.9
206.56889	1.4
208.72849	1.5
211.13185	2.3
227.17897	2.0
239.12898	1.3
245.18942	2.7
260.38147	1.4
263.19989	37.3
281.21143	4.7
291.19583	5.6
309.20572	49.4
327.22577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.9
53.55444	3.5
55.01867	54.8
55.05503	58.0
56.96552	11.4
57.03425	7.5
57.07041	4.0
67.05497	77.9
69.03426	5.0
69.07062	51.7
70.06573	4.6
76.56123	4.2
79.05482	72.8
81.03401	7.9
81.07035	100.0
83.04967	19.6
83.08595	32.2
84.08933	4.3
91.05481	48.0
92.09381	10.0
93.07030	65.4
95.04947	33.5
95.08577	49.8
97.02893	5.1
97.06495	19.2
98.97565	19.3
103.05453	11.5
104.06275	5.6
105.06998	33.9
107.04947	37.3
107.08582	39.2
109.06519	7.8
109.10107	10.5
111.08049	27.2
115.05456	8.1
116.98608	9.1
117.06979	24.6
119.01749	8.7
119.08547	29.1
121.06496	9.0
121.10121	39.2
121.10907	5.0
123.08018	6.2
125.09577	8.5
129.06985	5.6
131.00146	6.4
131.04904	10.7
131.08545	26.0
132.05746	6.1
133.10123	7.0
135.08063	10.8
135.11736	8.4
136.35675	4.7
143.08530	6.4
145.10086	9.9
147.03088	7.8
147.07988	10.4
149.01208	38.7
149.05963	8.8
149.09674	6.6
161.01187	5.1
162.06752	5.1
163.07538	33.7
164.08235	33.7
167.02235	19.1
167.10632	7.4
171.11523	5.3
177.00702	8.2
230.19041	6.1
291.19476	52.8
293.05563	5.1
298.25211	10.0
309.20541	23.9
311.06396	5.7
327.21338	5.4
328.82660	5.8
344.14850	25.8
344.25513	5.9
344.65115	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
53.35403	4.7
55.05503	48.1
56.96557	4.7
57.07063	5.7
65.03913	8.9
67.05502	56.2
69.03426	5.6
69.07053	29.0
70.06580	26.9
79.05479	45.9
81.07038	62.1
83.08601	5.4
91.05463	55.3
93.07033	54.6
95.04939	11.8
95.08588	49.8
98.98463	7.9
105.07013	52.6
107.04942	9.8
107.08578	25.1
109.10164	12.9
112.09190	6.1
117.07013	46.6
119.08565	52.6
120.08115	5.9
121.10117	10.2
129.07007	22.4
130.07822	6.1
131.08533	54.5
132.90257	5.9
133.10085	12.7
135.11768	7.9
137.05931	40.3
143.08566	21.9
145.10097	70.4
146.09673	9.2
147.11714	10.0
151.03874	8.1
152.04295	8.7
157.10088	6.5
159.11699	31.9
163.08936	5.6
164.08231	6.1
171.11578	5.9
172.11171	6.4
173.13248	13.6
174.12766	12.0
187.14911	8.3
200.14293	7.2
214.15918	8.3
228.17273	19.8
229.19426	10.2
263.19852	9.3
274.16803	5.4
291.19485	32.6
298.25238	100.0
299.68481	5.8
344.25894	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	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.7
55.01867	18.4
55.05504	72.5
57.03416	13.6
57.07053	3.8
59.63888	1.8
60.13815	2.0
65.03944	3.5
66.37963	2.1
66.52992	2.1
67.05144	5.1
67.05487	100.0
67.79889	2.1
69.03413	10.3
69.07044	37.8
71.01334	3.4
71.04969	11.1
79.05467	78.7
81.03404	23.1
81.07033	98.6
83.04943	20.8
83.08607	37.4
85.02867	3.4
85.06515	4.0
91.05455	72.1
92.09333	3.5
93.07017	88.4
95.04945	41.4
95.08583	68.2
97.02872	5.1
97.06519	13.6
97.10153	8.5
99.04465	2.4
99.08035	3.2
105.07006	40.3
107.04935	8.6
107.08574	46.9
109.06513	14.6
109.10122	26.1
111.04446	2.5
111.08055	25.7
117.07012	13.2
119.08543	24.2
121.06514	4.2
121.10117	43.9
123.04388	3.2
123.08045	10.0
123.13213	2.0
125.09615	13.6
128.06227	2.6
129.07028	3.4
131.08511	24.2
133.10085	30.7
135.08051	11.8
135.11662	12.8
137.05966	3.3
137.09583	11.4
139.11195	5.3
143.08563	3.3
145.10120	10.1
147.08047	4.1
149.09682	16.1
151.11183	9.5
153.09137	3.2
157.10117	2.6
161.09581	10.4
163.11169	3.6
167.10651	10.6
173.11716	4.1
175.11159	5.1
179.10654	11.4
181.12173	3.7
191.10724	2.4
197.11664	4.4
209.11641	3.9
240.23203	5.2
241.23499	10.3
245.19066	3.2
263.20044	4.1
273.18472	4.0
291.19492	15.1
302.78967	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	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47664	0.3
53.03930	0.3
53.51357	0.2
57.03425	1.3
61.02911	1.9
65.03912	0.4
69.03413	4.8
71.04984	0.3
72.51027	0.3
73.02895	0.5
76.53893	0.3
81.03395	1.6
81.67146	0.3
85.02891	17.0
87.04433	0.5
90.77833	0.3
91.03932	0.5
91.05457	5.9
97.02884	3.8
99.04430	0.7
109.02879	1.5
119.04915	21.2
123.04374	2.4
127.03922	2.5
145.04907	1.8
147.04385	100.0
155.06996	0.3
165.05432	29.0
169.24730	0.3
180.08682	0.5
212.94974	0.3
309.09732	0.6
344.13071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47028	0.3
55.01858	0.4
57.03432	0.7
61.02908	1.4
62.36883	0.3
65.03957	0.4
69.03420	4.1
71.25645	0.3
72.16768	0.3
73.02895	0.7
81.03398	1.9
82.53931	0.3
85.02893	16.9
91.03946	0.4
91.05470	4.8
95.04897	0.4
97.02873	3.4
99.04416	0.5
109.02865	1.5
119.04922	23.1
123.04417	2.1
127.03899	2.1
131.25194	0.4
145.04924	2.7
147.04395	100.0
158.43750	0.3
165.05446	27.3
201.94777	0.4
209.21492	0.3
230.72684	0.3
344.13306	0.7
346.99103	0.4
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
52.73302	0.4
55.05499	2.3
56.96284	0.7
56.96554	14.2
57.03428	1.0
58.93930	0.6
67.05484	3.9
69.07049	1.3
71.04980	0.7
71.08611	0.7
71.85235	0.5
77.23062	0.5
79.05463	3.4
81.07024	3.5
83.04946	0.8
83.08594	0.8
91.05434	3.3
93.06994	3.4
95.04964	1.2
95.08588	1.3
98.97556	2.3
99.04306	0.6
105.06990	2.8
107.08580	1.3
109.06535	0.6
109.10145	2.3
116.98597	2.4
117.06970	1.0
119.08559	2.5
119.55798	0.6
120.79114	0.6
121.06462	0.7
123.08018	0.7
128.98598	0.8
133.10092	1.4
137.05965	2.3
145.06441	0.8
146.99648	1.1
151.11142	0.7
157.01715	2.1
159.03336	0.7
169.01628	0.8
171.03265	4.7
173.29875	0.6
174.12669	0.5
175.02751	6.0
175.11150	0.6
177.04300	1.1
183.03226	0.9
185.04848	0.8
186.01935	0.6
187.02753	0.8
189.04292	7.5
193.03783	3.8
195.05229	1.0
201.04416	1.0
203.05881	0.9
207.05380	0.7
209.04793	0.8
211.06438	1.2
213.07884	0.7
221.04816	1.1
223.02769	3.3
224.03452	2.4
225.08015	1.4
234.05696	0.7
239.05791	2.5
243.08969	1.1
251.05914	2.6
252.06625	8.9
270.07614	6.3
279.12720	4.3
285.11420	2.9
291.19580	0.8
297.13605	2.8
303.12570	17.9
309.20709	0.8
321.13663	100.0
339.14752	7.2
344.15170	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	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01859	2.8
55.05503	28.2
55.67297	1.0
57.03428	1.6
57.06850	1.0
57.07067	15.9
65.03901	1.1
67.05151	2.0
67.05492	53.1
69.03402	6.6
69.06715	2.1
69.07055	38.2
71.04979	2.4
71.08607	2.8
79.05476	35.7
81.03381	1.2
81.07035	100.0
83.04936	2.2
83.08604	13.7
85.06528	35.6
91.05457	34.2
93.07024	62.4
95.04944	7.1
95.08585	89.0
97.06502	2.4
97.10146	9.1
99.08062	2.5
103.05431	2.7
105.07008	37.1
107.07866	1.9
107.08575	43.1
109.06503	5.4
109.10146	40.2
111.08056	2.6
111.11668	1.3
115.05328	1.3
117.06982	6.9
119.08551	26.5
121.06479	1.6
121.10120	26.3
123.08042	2.8
123.11659	13.5
125.09611	4.8
126.13541	1.2
129.06998	2.2
131.04854	1.6
131.08540	9.0
133.10091	30.4
135.04390	2.8
135.11653	20.6
137.05971	15.4
137.09569	4.8
137.13203	1.9
139.11086	1.5
143.08626	1.5
145.10074	9.4
147.11652	14.0
149.13246	12.9
151.14871	1.6
159.11664	14.0
161.13187	9.1
163.07507	1.5
163.14761	6.7
166.61809	1.4
173.13237	6.6
175.07513	4.9
175.14789	5.2
177.08986	2.1
177.16440	1.4
187.14810	5.5
189.16322	1.8
201.16304	1.7
215.17888	2.1
226.97319	1.6
271.24139	1.2
274.07831	1.3
277.25116	1.8
289.25198	7.5
307.26187	2.3
321.10944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13584	0.2
56.78862	0.2
57.03413	0.4
61.02898	0.8
65.03914	0.3
69.03412	3.0
70.06567	0.3
73.02854	0.2
85.02883	4.4
86.21490	0.2
89.06007	2.6
91.05460	5.9
97.02851	1.6
103.05445	0.3
105.06992	0.3
119.04916	25.9
123.04391	0.8
127.03877	1.1
131.04929	0.5
133.06407	0.2
133.08551	1.0
137.05977	2.0
145.04836	0.3
147.04385	100.0
148.04715	0.4
152.05309	0.2
163.07457	0.3
164.10661	0.8
165.05441	19.1
177.11241	0.4
291.08545	0.4
309.09601	0.5
319.25177	0.2
327.20026	1.4
351.11761	0.2
361.97763	0.2
362.90018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66042	1.5
53.17888	1.5
55.05505	27.5
55.89336	1.9
56.96572	3.0
57.03419	1.9
57.07063	11.0
65.03919	1.8
66.18971	1.8
67.05494	47.7
69.03419	3.1
69.07053	39.2
69.89034	1.5
71.04993	2.1
79.05474	33.5
81.03400	1.6
81.07043	100.0
83.04958	1.9
83.08598	13.9
85.02918	2.7
85.06530	16.4
91.05453	26.7
93.07025	60.5
95.04967	9.1
95.08584	81.0
97.06533	2.4
97.10136	10.2
99.08068	2.5
103.05446	2.9
105.07020	43.6
107.04924	3.2
107.08590	37.8
109.06536	2.4
109.10142	34.6
111.08051	1.9
115.05415	3.2
117.07006	3.9
119.04890	2.2
119.08569	27.6
121.10116	21.5
122.06039	2.1
123.08001	2.8
123.11700	10.5
125.72277	2.1
127.03876	1.7
131.04938	2.7
131.08542	13.7
133.06488	2.5
133.10080	23.6
135.04375	2.8
135.11664	19.7
137.05954	35.9
137.09605	3.4
138.06381	2.2
139.11099	2.7
145.10107	11.3
147.04433	2.0
147.11678	17.4
149.13255	14.7
151.03799	2.3
159.04396	2.2
159.08073	1.9
159.11656	8.6
161.05934	3.5
161.13237	9.2
163.14812	7.3
165.07001	3.5
173.13171	3.0
175.07498	3.0
177.09213	2.4
182.93347	1.9
187.14742	2.3
189.06956	2.0
189.08955	4.1
191.61697	1.7
194.07196	3.1
201.05415	3.6
201.16319	2.4
205.06529	3.1
215.17984	3.4
221.05978	4.3
222.06723	9.6
233.05984	4.0
237.09064	7.4
239.06828	2.4
249.05386	3.2
250.06219	10.0
250.70255	1.7
251.06950	3.9
258.03885	1.8
264.07755	2.5
265.08612	10.9
267.06470	2.7
269.12268	7.6
271.24109	3.6
278.05679	2.3
279.06253	2.5
283.09567	11.4
289.25177	8.6
292.07303	2.5
293.08066	8.4
297.11157	3.9
307.09692	7.5
307.26276	3.7
311.09329	2.0
325.10730	10.6
325.14096	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81396	1.8
53.03929	2.6
55.01869	3.4
55.05507	89.0
57.03175	2.5
57.03434	37.9
57.07071	51.0
60.20728	2.0
65.03655	2.2
67.05495	40.0
69.03410	2.3
69.07055	100.0
69.94054	2.3
69.94479	2.0
71.08615	28.1
73.06536	3.0
73.91877	1.9
79.05473	19.3
79.70999	2.2
80.42931	1.7
81.07038	42.5
83.04980	4.7
83.08601	61.6
85.02893	3.3
85.10167	10.1
85.41651	2.0
91.05455	7.5
93.07018	28.7
95.04965	4.2
95.08579	45.7
97.06530	13.1
97.10156	38.7
99.08081	8.7
101.05955	2.6
105.07000	10.7
107.08585	25.2
109.10130	16.5
109.85422	2.5
111.08082	4.7
111.11699	9.6
116.48750	2.2
117.07076	2.5
121.10114	11.7
123.04424	4.1
123.11666	4.8
125.09624	5.2
130.07732	2.2
133.06453	2.4
135.11671	12.3
139.11201	3.1
145.10143	4.3
149.13141	3.0
153.12717	3.5
163.14803	3.2
177.16310	2.9
193.12206	59.0
233.22649	4.6
251.23633	10.0
291.19504	9.3
325.27347	10.1
343.22418	5.0
343.28360	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.0
55.01846	4.9
55.05491	21.3
57.03423	15.7
57.07048	8.1
61.19805	2.9
67.05496	42.8
69.03413	13.6
69.07040	14.3
71.04964	18.3
75.23920	3.7
78.52928	3.3
79.05467	35.4
81.03410	4.7
81.07046	39.7
83.04963	4.2
91.05448	38.6
92.09335	7.7
93.07021	87.1
95.04934	44.4
95.08018	4.9
95.08585	100.0
97.06495	17.8
103.05451	7.7
105.06365	5.4
105.07010	96.0
107.08577	63.1
109.06503	16.9
109.10145	8.3
117.07011	30.8
119.05980	3.3
119.08546	27.0
121.06463	22.0
121.10103	13.7
123.07248	3.9
123.08008	31.4
129.06956	4.4
130.07761	23.0
131.08575	7.6
133.10095	13.4
135.07999	20.6
135.11621	15.3
137.05931	27.7
143.08542	7.9
145.10112	54.9
147.08014	8.6
149.09476	4.3
151.07527	33.3
157.10155	4.7
163.11151	28.6
165.09012	14.6
173.09607	5.0
175.11024	6.1
187.11205	4.3
189.12726	4.1
221.15279	13.8
230.55093	3.4
343.22580	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20726	0.7
52.63139	0.6
53.03939	1.3
55.01864	2.7
55.05505	7.3
56.97333	0.6
57.03411	0.7
57.07065	1.2
62.43738	0.6
65.03909	1.2
67.05492	10.9
69.03399	0.9
69.07056	13.7
71.04970	1.1
79.05479	14.4
80.83663	0.7
81.06602	1.1
81.07038	19.4
83.04951	0.8
83.08597	7.0
85.02874	0.8
85.06532	1.3
91.05459	12.7
93.07021	25.4
94.04161	3.2
95.04945	13.0
95.08582	13.9
97.06512	3.3
97.10153	1.0
103.05453	16.4
105.03371	1.0
105.07017	17.3
107.04927	4.7
107.08576	8.0
109.06508	1.1
109.10120	8.2
111.08060	3.4
115.05415	1.6
117.06995	4.8
119.04926	2.8
119.08548	4.4
120.05749	0.8
121.06493	4.5
121.10155	7.6
122.03625	8.6
123.04408	9.7
123.08059	1.7
123.11681	3.6
128.06181	2.9
129.06964	3.6
131.04906	25.0
131.08548	2.9
131.44104	0.8
133.05548	1.3
133.06479	25.3
133.10056	1.6
135.04396	100.0
135.08015	4.7
135.11620	1.6
137.05960	68.0
141.05394	1.2
143.04861	0.9
143.08527	1.1
145.06454	6.1
145.10104	1.4
147.08002	1.1
147.11697	1.7
149.06018	6.5
149.13254	1.6
151.03897	23.0
151.04988	2.2
151.07518	13.9
157.06448	3.2
159.11635	1.2
161.05934	15.0
163.07523	17.9
163.11208	1.3
165.09114	0.8
167.14410	0.8
171.07991	1.5
173.05991	1.2
174.06825	0.8
175.07468	3.4
177.09036	1.8
186.28412	0.8
187.07590	1.4
189.09070	3.8
201.09131	1.0
203.10704	1.0
239.10675	0.9
263.10541	1.7
271.24191	1.0
283.05948	1.1
289.25070	2.7
293.11649	1.4
295.26309	1.5
307.26169	1.8
325.14224	4.6
343.15216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.90701	1.6
51.02375	1.3
51.81010	1.4
53.03929	3.9
55.01853	8.6
55.05275	1.5
55.05509	28.8
57.03418	11.7
57.07051	10.5
58.76556	1.5
59.04969	2.4
65.03944	1.6
67.05489	32.2
69.03411	11.5
69.07045	11.4
71.04978	13.7
72.53953	1.5
73.06907	1.4
76.56365	1.5
79.05462	31.8
80.41627	1.3
81.03382	3.6
81.07033	32.4
83.04962	7.0
83.08595	8.4
85.02890	1.6
85.06532	3.6
91.05455	48.2
92.09265	1.7
93.07023	73.5
95.04951	60.5
95.08588	85.2
97.06499	21.0
103.05438	3.7
105.07011	100.0
107.04931	7.2
107.08577	54.7
109.06519	17.1
109.10118	8.0
111.08085	1.7
115.05429	9.2
117.06989	31.8
119.04944	1.6
119.08558	36.7
121.06460	15.3
121.10133	14.4
123.08039	23.7
123.11675	2.3
125.05954	1.8
128.06200	7.8
129.07004	11.3
130.07782	14.7
131.08540	18.5
133.06453	9.0
133.10103	17.8
135.04398	2.9
135.08049	15.1
135.11676	11.5
137.05969	8.8
137.09576	2.1
141.06966	2.8
142.07747	11.4
143.08527	17.5
144.09274	2.8
145.06487	3.0
145.10103	66.9
147.08032	12.1
147.11731	5.7
149.09570	6.7
151.07535	28.4
153.09189	2.4
155.08521	3.7
156.09337	3.8
157.10057	15.2
159.08072	3.9
159.11632	8.0
161.09596	7.3
161.13113	2.0
163.11125	27.3
165.09050	9.9
167.08467	1.6
169.10060	6.7
170.10843	4.0
171.08040	2.9
171.11655	7.5
173.09593	3.8
173.13219	2.2
175.11180	6.3
177.09091	3.8
179.08534	2.8
182.10869	2.1
183.11642	6.6
185.09526	2.3
185.13249	1.9
187.11186	6.7
187.14774	1.7
189.12720	8.4
191.14313	2.2
193.10031	2.3
195.11658	6.6
197.13179	3.2
203.14265	4.0
207.13730	2.2
221.15437	14.5
223.14717	1.9
243.62093	1.6
249.61072	1.6
263.16223	2.3
307.20425	2.2
309.79019	1.7
325.21182	2.8
343.22604	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	6.6
55.01857	7.3
55.05505	31.5
55.93599	1.4
57.03433	14.6
57.03660	1.6
57.07074	13.6
59.04984	7.7
60.21584	1.4
65.03941	2.6
65.70107	1.4
67.05493	43.1
69.03419	13.3
69.07058	14.9
71.04974	15.8
78.89537	1.5
79.05468	35.7
81.03391	7.9
81.07033	37.0
83.04964	8.4
83.08599	11.0
85.06527	2.8
91.05453	45.7
93.07018	92.9
95.04949	66.4
95.08581	91.7
97.06517	22.7
97.10164	9.2
103.05457	3.7
105.07009	100.0
107.04955	3.9
107.08582	67.1
108.05676	1.8
109.06508	22.4
109.10149	9.2
109.54491	1.6
111.04421	2.1
111.08027	2.1
115.05436	8.5
116.17220	1.6
117.07003	40.1
119.08553	24.7
121.06476	16.8
121.10129	21.7
122.07295	2.6
123.08050	30.7
125.09605	8.6
128.06203	4.2
129.06999	9.5
130.07782	20.2
131.04918	2.4
131.08531	17.2
133.06497	7.4
133.10114	20.0
135.08018	23.0
135.11658	13.0
137.05972	6.7
137.09552	3.9
142.07756	7.5
143.08516	14.9
145.10114	70.9
145.11243	3.4
147.08028	15.6
147.11681	9.1
149.05913	2.3
149.09590	7.3
151.07523	39.7
153.09113	3.3
155.08539	2.8
156.09283	2.8
157.10129	9.8
159.08008	3.8
159.11710	11.8
161.05971	3.2
161.09607	4.2
163.07478	3.6
163.11156	43.2
165.09036	12.5
167.08499	2.1
169.10129	2.8
171.11662	7.7
173.09627	3.9
173.13145	2.4
175.11176	4.0
177.09082	2.8
179.07066	2.0
183.11612	2.7
187.11174	3.2
189.12717	8.8
191.14392	2.2
193.12163	1.9
194.11079	2.0
195.11804	2.3
195.13683	2.7
197.13173	2.0
201.12624	1.8
203.14389	3.9
207.11745	2.3
207.13745	3.3
221.13365	2.8
221.15303	20.5
225.16296	2.5
233.15352	2.3
263.16293	2.4
286.19260	2.0
293.21091	10.2
296.97928	3.1
311.12927	2.6
314.59103	1.9
325.21442	6.3
343.22607	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52274	0.6
52.71137	0.7
52.72993	0.7
53.03941	3.3
53.60728	0.7
55.01870	4.5
55.05501	4.7
57.03433	6.0
57.07065	3.1
57.29810	0.6
59.04986	1.0
61.02916	9.6
63.55465	0.6
67.05482	1.6
69.03418	28.3
69.07072	1.8
71.01347	1.4
71.04981	3.6
73.02906	4.5
75.87104	0.8
79.05488	6.5
81.03400	12.8
81.07043	17.2
83.01337	0.8
83.04962	15.2
85.02894	61.3
86.09721	1.2
87.04466	4.8
91.03914	1.9
91.05457	9.4
92.08661	1.4
93.07036	19.1
95.04948	44.6
95.08596	1.5
97.02879	17.6
97.06520	8.2
99.04440	3.4
103.05446	1.1
103.72336	0.8
105.07015	15.4
107.04946	1.4
107.08585	21.1
109.02874	7.2
109.06523	6.1
115.05451	0.8
117.07008	5.5
119.08549	8.1
121.06475	7.6
121.10138	19.8
125.05978	23.1
125.06835	1.1
127.03922	9.9
130.07782	6.6
131.04916	1.0
132.05240	1.1
133.06470	1.4
133.10155	0.8
135.07980	1.0
135.11671	15.0
137.05972	3.7
143.08537	1.1
145.04938	9.4
145.10114	30.3
147.08058	1.3
148.08800	0.9
161.09608	1.0
163.11154	100.0
165.09062	1.2
165.12764	1.8
175.11182	1.3
181.12199	16.3
196.51848	0.8
218.26563	0.8
223.13194	1.4
228.08701	0.8
234.65601	0.8
307.15311	0.8
308.62326	0.7
343.17465	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	343.1538
Annotation	Fragransin E1
Peak:m/z	Relative Intensity
52.10814	1.1
55.01867	2.9
57.03438	11.3
59.14146	1.2
65.03910	2.9
67.05507	5.6
76.55682	1.4
79.05489	2.2
81.07027	3.1
91.05470	19.3
95.04942	5.5
95.08605	2.6
97.02866	1.5
99.59522	1.6
103.05450	3.2
105.07033	3.1
107.08566	1.6
108.02126	1.6
111.17502	1.4
115.05466	2.7
116.06211	2.9
119.04923	7.3
121.06486	1.7
125.05942	1.8
129.06972	8.2
131.04912	2.9
131.08539	29.2
133.06491	2.9
133.10097	1.7
135.04359	1.9
135.08002	2.1
135.95102	1.6
137.05956	25.2
140.25783	1.5
141.05437	1.9
141.06973	7.9
144.05687	3.0
145.06444	2.2
147.04387	66.7
147.64198	1.3
149.06000	1.9
150.06796	10.6
151.03893	68.8
151.04977	5.6
151.07520	13.4
154.13991	1.5
158.07225	6.4
159.08006	20.9
161.05933	5.9
163.03879	13.0
163.07532	3.1
163.11131	1.5
173.09599	2.8
175.07701	1.9
176.08315	9.2
177.05338	1.6
178.06224	22.7
179.06982	6.4
187.07515	16.5
191.07025	2.1
191.10634	100.0
209.06007	1.6
219.10136	20.0
233.09680	1.9
241.08531	6.6
269.08044	7.1
278.96680	2.5
284.10342	18.2
293.11761	10.0
310.12079	2.3
325.14331	2.9
343.15320	37.7
343.19083	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43213	1.2
53.03929	3.2
55.01857	8.0
55.05489	5.7
56.96558	1.2
57.03432	10.9
57.07056	2.6
59.05001	1.3
59.12374	1.1
61.02919	13.2
69.03419	38.6
69.07065	2.3
71.04964	6.5
72.08124	1.3
73.02888	6.1
79.05489	13.3
81.03407	17.4
81.06623	1.5
81.07034	16.0
83.01289	1.8
83.04967	20.0
85.02893	100.0
86.09689	2.4
87.04445	7.1
91.03936	3.2
91.05465	13.0
93.07026	20.6
95.04951	51.4
95.08566	2.9
97.02865	35.9
97.06510	11.4
99.04440	8.8
103.05416	1.6
105.07001	17.6
107.04925	2.7
107.08575	25.3
109.02869	6.7
109.06483	8.9
109.10147	2.5
117.06987	5.7
119.04889	2.1
119.08550	12.8
121.06492	7.9
121.10111	18.8
122.03661	1.7
123.08047	2.6
125.05975	37.2
127.03886	16.7
129.06982	2.8
130.07751	5.5
133.10107	1.8
135.07990	1.4
135.11656	12.1
137.05957	32.3
137.06932	2.3
137.09619	1.4
138.05399	1.5
145.04967	17.3
145.10100	29.8
147.04364	7.9
147.11597	1.9
149.05930	2.0
157.06465	2.2
158.07307	2.3
163.07487	1.8
163.11159	95.7
165.12741	5.2
168.94386	1.4
174.06743	8.4
175.07437	1.3
180.42249	1.2
181.12196	32.4
189.09052	19.1
201.09047	5.3
216.05629	1.3
223.13199	1.6
239.05846	3.3
242.04564	2.2
257.06964	6.9
260.05667	2.1
267.93225	1.5
313.09512	1.8
325.14252	2.4
327.38467	1.4
331.79291	1.4
333.46280	1.5
343.17310	5.4
355.10410	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	343.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.81429	0.2
55.01859	0.9
55.05489	0.4
56.96553	0.2
57.03418	0.4
58.84405	0.2
60.09587	0.2
60.83278	0.3
61.71289	0.2
63.45787	0.2
65.03926	1.7
67.05497	3.2
67.23338	0.2
69.03402	0.3
69.07054	0.4
73.02863	0.2
74.53188	0.3
79.05470	1.0
80.21944	0.3
81.07026	1.6
82.07389	0.2
83.04965	0.3
83.08582	0.3
85.02881	0.4
91.05468	1.2
93.06499	0.3
93.07034	1.2
95.04951	2.1
95.08566	1.3
97.06528	0.3
105.07012	0.4
107.04951	0.4
107.08567	0.3
108.02076	2.1
109.02860	0.3
109.10149	0.4
111.04454	0.6
112.01562	0.3
119.08513	0.4
121.10099	0.3
123.08035	0.4
133.10141	0.5
136.01491	0.3
137.05971	1.7
141.05443	4.6
151.03889	100.0
151.05000	10.0
155.08618	0.3
159.08032	0.4
163.07559	0.2
193.65488	0.2
195.56041	0.2
212.14360	0.5
213.14656	0.6
269.10507	0.5
325.23544	0.4
342.24316	1.9
343.15396	1.7
343.24579	2.8
347.28000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Xestosaprol B
Peak:m/z	Relative Intensity
53.03923	2.1
55.01859	3.5
57.03427	2.4
61.83672	2.0
67.05476	12.2
69.03373	3.8
70.06590	2.1
72.08149	3.7
79.05473	9.7
81.07030	5.1
84.04498	2.7
85.02883	11.8
86.09691	4.6
91.05437	10.8
93.07030	5.3
95.04919	5.0
97.02876	3.5
98.97569	3.7
103.05432	15.4
105.07003	15.9
107.04931	12.3
109.10129	5.8
109.71783	2.3
115.05432	12.0
117.06992	5.0
119.04900	4.4
119.08591	9.3
121.06503	2.9
121.10123	11.7
122.03625	12.9
123.08033	2.3
129.07008	2.5
131.04887	17.7
133.06474	10.7
135.04340	3.7
135.08101	2.3
135.45770	2.6
137.05948	100.0
137.07549	2.6
141.06958	2.8
145.10106	2.2
146.03592	15.7
147.04390	13.3
149.04855	2.3
149.05977	12.6
151.03880	10.8
151.07568	4.5
160.05162	4.0
161.05949	55.1
162.06767	5.1
163.07513	24.3
163.11136	14.2
165.06885	3.9
169.06470	3.2
173.09573	4.6
175.07500	51.6
177.07022	2.3
177.09019	3.3
179.08540	5.4
181.06509	3.1
181.12238	15.7
190.07852	3.4
194.07205	15.8
201.09055	4.0
204.09248	2.7
205.06514	3.9
205.10156	10.6
207.08031	9.9
211.07483	3.2
215.01376	2.9
215.08577	4.0
219.08128	4.2
219.10141	8.5
221.06062	4.0
222.06679	13.4
223.07333	5.4
224.08340	9.3
233.09541	15.0
234.06747	3.2
235.07448	14.8
236.08289	2.9
237.09023	17.3
239.06981	3.9
239.10571	4.3
241.08521	4.2
249.09171	5.1
250.06161	12.9
250.09892	10.2
251.06943	9.1
252.07716	4.1
253.08540	9.7
261.08990	3.3
263.06818	3.5
264.07745	5.4
265.08539	31.5
265.12091	9.2
267.10098	14.4
269.08078	15.2
277.08621	3.3
278.09180	4.1
279.10040	3.8
281.07965	3.4
282.08994	18.9
282.11554	2.5
283.09543	3.0
284.10516	10.1
293.11630	26.7
295.09662	5.6
297.11136	45.4
297.14752	11.3
299.12674	24.9
310.11920	4.3
311.12692	22.8
325.14368	18.0
333.36856	2.3
343.15002	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03929	0.8
55.01863	2.6
55.05510	8.3
57.03419	1.5
57.07063	2.7
61.86197	0.6
65.03925	1.2
66.04027	0.6
67.05502	10.1
69.03406	1.1
69.06709	1.0
69.07054	16.0
71.04990	1.0
71.08605	0.8
76.97213	0.6
77.03894	1.2
79.05476	12.9
81.07040	22.5
83.04953	2.5
83.08606	6.4
91.05475	14.0
93.07028	33.0
94.04166	3.2
95.04952	14.3
95.08591	17.9
97.06502	3.4
97.10149	3.2
103.05453	19.4
105.03375	3.2
105.06380	0.7
105.07014	19.4
107.04931	3.2
107.08562	8.9
109.06494	3.7
109.10130	9.9
111.08054	4.5
111.11712	0.7
115.05433	1.3
117.07014	4.0
119.04915	1.6
119.08569	5.8
121.06480	4.2
121.10101	6.9
122.03609	9.0
123.04402	9.7
123.08011	3.3
123.11683	3.8
125.09573	0.9
128.06181	1.2
129.06979	3.7
131.04913	25.1
131.08542	2.8
133.06485	25.6
133.10139	3.9
135.04401	100.0
135.08000	4.8
135.11658	3.0
135.99687	0.7
136.05182	0.8
137.05960	69.0
137.13243	1.2
143.08516	1.1
145.06468	9.5
145.10123	3.2
147.11678	3.1
149.05925	6.0
149.13231	4.1
151.03900	14.7
151.05020	1.6
151.07555	9.5
157.06479	3.2
159.11668	2.9
161.05978	11.1
161.13202	1.1
163.07523	14.0
163.11118	1.0
163.14767	0.8
164.06566	0.7
165.09166	0.8
167.14265	1.2
173.05980	3.4
175.07524	2.7
177.08995	0.7
185.05930	0.8
187.07486	0.7
189.09055	3.1
217.10054	0.8
235.11169	1.0
263.10675	0.9
271.24103	0.8
283.06689	0.6
289.25302	1.1
293.11636	3.2
295.13297	1.2
295.26291	1.1
307.26288	3.8
325.14270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1232
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
50.37360	0.6
53.03934	1.7
55.01870	13.7
57.03428	13.8
59.04964	0.8
61.02906	6.5
69.03416	50.7
71.01320	1.2
71.04959	1.8
72.08137	5.4
73.02885	6.5
73.70325	0.6
73.83765	0.7
78.63097	0.6
80.98983	0.7
81.03410	7.8
83.01322	1.0
85.02890	100.0
85.31020	0.8
85.31549	0.9
86.03213	1.3
86.06057	1.1
87.04458	6.7
89.10857	0.7
91.03897	0.9
95.05011	0.7
97.02870	32.5
99.04433	10.5
101.02355	7.6
104.07078	4.5
109.02865	9.4
115.03899	3.9
118.08626	1.6
127.03896	57.1
133.04950	0.8
136.43689	0.8
145.04941	27.6
163.05966	8.0
204.51244	0.9
231.17323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1174
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01875	2.8
57.03429	1.9
60.09029	1.7
65.03935	2.1
67.05510	2.0
69.03431	2.5
70.06564	2.1
76.90765	1.9
79.05485	3.7
81.07054	7.9
85.02890	3.7
91.05470	15.2
95.04948	4.1
103.05458	9.2
103.67173	2.0
105.03380	1.9
105.07039	7.2
107.04950	7.8
107.08582	2.5
111.04433	3.2
115.05440	9.9
116.06249	2.9
117.07040	2.2
119.04910	9.1
121.06526	2.5
122.03635	12.4
123.04445	2.7
125.05959	1.8
130.04160	2.6
131.04909	9.0
131.08543	3.0
133.06450	3.6
135.04396	4.0
137.05957	100.0
139.06346	2.0
141.03377	2.1
142.03186	2.5
143.04890	6.8
145.06471	11.5
147.04390	3.0
149.05994	7.6
150.06743	4.3
151.03880	3.9
151.07561	3.2
153.06955	2.0
153.34708	1.8
158.03664	3.4
159.04393	7.0
159.07962	3.2
160.05179	9.8
161.05988	7.1
163.11180	2.1
165.07042	7.8
165.09151	2.0
166.07719	3.0
173.05965	9.7
174.06714	3.5
175.07565	11.2
176.06216	6.2
177.05609	3.1
177.06921	18.6
178.07747	3.2
181.06462	2.2
186.03119	12.7
187.03963	2.3
189.09056	6.7
190.07642	2.1
191.06880	2.0
191.08525	2.4
193.06480	3.8
193.81969	1.9
194.07260	24.0
195.08101	2.1
201.05415	24.2
204.05676	2.4
205.06454	48.7
206.07231	7.0
207.08067	7.5
211.07486	7.8
219.08089	2.9
221.05963	17.3
222.06720	43.2
223.07591	3.1
227.07042	2.2
233.05968	35.6
234.06738	10.3
235.07545	2.6
237.09064	38.4
239.07030	11.5
240.07910	2.3
247.07571	7.9
248.08357	2.5
249.05415	15.5
250.06203	50.9
251.07040	9.7
254.09470	3.0
261.05536	4.1
263.06900	3.3
264.07733	13.5
265.08566	62.8
267.06525	11.0
268.07404	2.8
277.04886	8.0
277.08475	2.4
278.05612	15.5
279.06473	3.0
281.08197	1.9
282.08914	7.7
283.09344	3.1
292.07233	24.5
293.08020	40.7
294.08859	2.5
295.05856	6.6
297.11252	14.4
299.12750	2.1
307.09558	56.4
307.13110	2.0
310.08276	7.7
325.10681	62.8
325.13620	2.8
343.12012	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	343.1173
Annotation	Rengasin trimethyl ether
Peak:m/z	Relative Intensity
52.62835	0.6
55.01865	5.3
55.05506	1.1
57.63564	0.6
60.29350	0.6
67.05481	1.1
69.07057	0.9
79.05472	13.5
81.07046	4.1
83.01280	0.8
91.05466	7.1
93.07020	2.9
94.04157	0.7
95.04933	5.1
95.08598	0.8
103.05452	11.3
105.04506	0.9
105.07011	70.6
107.04942	8.7
107.08617	2.6
109.02854	1.0
109.06508	6.9
109.10108	1.1
110.03654	1.2
111.04394	0.9
115.05454	5.2
117.06988	13.0
119.08571	0.9
121.06444	3.1
121.10186	0.9
122.03623	3.8
123.04393	4.3
123.07988	1.1
124.05167	3.5
125.06013	1.1
128.06213	1.4
129.07034	1.0
131.04895	14.0
133.06468	60.8
135.04393	36.5
135.08086	2.7
137.05956	100.0
145.06473	18.0
149.05952	5.6
149.09712	1.0
150.06757	1.2
151.03886	14.2
151.04994	1.2
151.07503	9.7
159.04396	2.9
161.05922	8.5
161.47716	0.8
162.06688	0.9
163.03885	15.5
163.07500	5.3
165.09076	81.9
171.08072	0.8
173.05931	13.3
175.07538	1.6
177.05429	1.4
177.09064	24.3
179.03387	4.5
191.03362	81.3
191.07013	4.1
195.10146	3.0
201.05397	1.3
205.04950	6.6
219.06505	25.3
263.00296	0.7
283.09567	0.8
297.11148	3.5
307.09537	1.5
343.11713	34.8
351.02795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03429	1.9
60.09029	1.7
65.03935	2.1
67.05510	2.0
69.03431	2.5
70.06564	2.1
76.90765	1.9
79.05485	3.7
81.07054	7.9
85.02890	3.7
91.05470	15.2
95.04948	4.1
103.05458	9.2
103.67173	2.0
105.03380	1.9
105.07039	7.2
107.04950	7.8
107.08582	2.5
111.04433	3.2
115.05440	9.9
116.06249	2.9
117.07040	2.2
119.04910	9.1
121.06526	2.5
122.03635	12.4
123.04445	2.7
125.05959	1.8
130.04160	2.6
131.04909	9.0
131.08543	3.0
133.06450	3.6
135.04396	4.0
137.05957	100.0
139.06346	2.0
141.03377	2.1
142.03186	2.5
143.04890	6.8
145.06471	11.5
147.04390	3.0
149.05994	7.6
150.06743	4.3
151.03880	3.9
151.07561	3.2
153.06955	2.0
153.34708	1.8
158.03664	3.4
159.04393	7.0
159.07962	3.2
160.05179	9.8
161.05988	7.1
163.11180	2.1
165.07042	7.8
165.09151	2.0
166.07719	3.0
173.05965	9.7
174.06714	3.5
175.07565	11.2
176.06216	6.2
177.05609	3.1
177.06921	18.6
178.07747	3.2
181.06462	2.2
186.03119	12.7
187.03963	2.3
189.09056	6.7
190.07642	2.1
191.06880	2.0
191.08525	2.4
193.06480	3.8
193.81969	1.9
194.07260	24.0
195.08101	2.1
201.05415	24.2
204.05676	2.4
205.06454	48.7
206.07231	7.0
207.08067	7.5
211.07486	7.8
219.08089	2.9
221.05963	17.3
222.06720	43.2
223.07591	3.1
227.07042	2.2
233.05968	35.6
234.06738	10.3
235.07545	2.6
237.09064	38.4
239.07030	11.5
240.07910	2.3
247.07571	7.9
248.08357	2.5
249.05415	15.5
250.06203	50.9
251.07040	9.7
254.09470	3.0
261.05536	4.1
263.06900	3.3
264.07733	13.5
265.08566	62.8
267.06525	11.0
268.07404	2.8
277.04886	8.0
277.08475	2.4
278.05612	15.5
279.06473	3.0
281.08197	1.9
282.08914	7.7
283.09344	3.1
292.07233	24.5
293.08020	40.7
294.08859	2.5
295.05856	6.6
297.11252	14.4
299.12750	2.1
307.09558	56.4
307.13110	2.0
310.08276	7.7
325.10681	62.8
325.13620	2.8
343.12012	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01867	11.7
55.05503	21.4
55.17715	1.3
57.03412	1.8
57.07070	21.8
58.06596	2.5
62.06068	8.2
67.05493	55.0
69.03428	2.8
69.07055	18.0
71.04966	3.5
71.08607	8.2
72.08170	1.7
79.05478	23.2
81.03398	9.6
81.07043	49.2
83.04984	14.5
83.08601	10.7
85.06525	6.8
85.10180	2.4
91.05466	33.4
93.07023	27.0
95.04976	13.7
95.08590	23.1
97.06531	2.6
97.10178	2.2
105.07014	38.7
107.04942	6.2
107.08580	35.2
109.06504	3.0
109.10136	39.9
111.08078	2.0
117.07005	3.8
119.08564	10.1
120.42682	1.5
121.10134	6.2
123.08051	3.6
123.11681	9.0
131.08548	3.2
131.55699	1.5
133.10112	48.8
135.11699	2.4
137.09570	7.6
143.71857	1.4
145.10155	3.2
147.11707	2.0
149.09674	2.2
151.11169	32.2
174.18532	6.6
179.10699	2.9
183.13820	9.1
197.35820	1.7
209.63744	1.6
213.98936	2.1
229.14018	1.7
230.24800	6.5
275.20041	18.2
286.31039	3.2
293.21048	10.1
307.22678	10.7
342.37238	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	342.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.3
53.89467	0.1
55.05503	0.4
57.07067	12.8
58.06584	1.8
62.06075	3.8
68.38998	0.2
69.07050	0.2
71.08246	0.3
71.08614	6.4
72.08137	1.7
80.94912	0.2
83.87827	0.2
85.10170	0.8
105.34944	0.2
128.62457	0.2
156.17445	1.8
174.18510	6.3
202.21664	0.3
212.23766	1.7
230.24727	4.9
230.26793	0.3
298.34604	0.3
324.36203	1.4
342.37231	100.0
343.37683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.2
53.03935	3.9
55.01861	7.5
55.05505	29.6
55.32392	0.9
57.03440	4.3
57.07065	3.8
58.62883	0.9
59.04995	1.8
59.82504	0.9
59.94653	0.9
61.71840	0.8
61.74517	0.8
67.05491	52.3
69.03429	2.1
69.07053	27.5
71.04974	41.1
72.61774	1.0
79.05474	44.8
81.03408	12.4
81.07037	100.0
83.04972	5.5
83.08600	13.8
85.02888	1.3
85.06535	5.9
91.05461	34.6
93.07021	34.5
95.04945	15.8
95.08002	2.1
95.08585	39.2
97.06488	9.4
97.10146	6.1
99.04427	3.6
99.08057	6.8
105.07006	37.7
107.04945	11.2
107.08576	22.0
109.06499	23.2
109.10146	13.4
111.04421	15.0
111.08060	5.6
113.05986	1.0
113.09647	2.3
115.05466	1.2
117.06995	11.7
119.08557	26.4
121.06467	7.9
121.10124	17.8
123.08032	11.0
123.11688	5.5
125.05975	1.7
125.09612	6.0
127.07584	1.3
129.06981	5.8
131.08536	17.5
133.10123	19.0
134.83885	1.0
135.08049	5.4
135.11668	11.3
135.22643	1.1
137.09627	6.6
139.07532	1.2
139.11215	1.0
142.07762	0.9
143.08577	1.9
145.10103	13.8
147.08041	1.4
147.11656	11.1
149.09616	12.1
149.13280	4.6
151.11168	5.0
157.10075	2.4
159.11667	9.5
161.09578	2.2
161.13216	4.9
163.11157	9.5
163.14871	1.0
163.87291	0.9
165.12810	2.0
171.11708	2.1
173.13297	4.1
175.11078	1.3
177.12794	1.9
180.70279	1.1
195.13853	1.1
205.12532	1.1
223.13484	1.0
229.19594	1.6
239.17935	2.1
247.20520	1.6
257.18930	6.4
275.20001	70.4
289.21561	1.5
293.21048	21.7
307.22580	30.0
331.20358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86334	16.5
55.01865	26.0
55.05499	39.0
67.05495	50.7
70.06565	26.3
71.04951	23.1
72.93486	17.7
75.37210	20.1
79.05492	27.5
81.07044	100.0
81.78149	22.2
91.05448	35.8
92.09289	48.2
93.07049	43.0
95.08602	29.1
105.06995	46.8
107.08601	23.3
109.10176	37.3
119.08570	30.8
133.10118	30.1
275.20126	27.6
293.21182	40.4
342.33646	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	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09544	0.8
53.03926	1.5
54.59879	0.7
54.81564	1.1
55.01860	9.0
55.05266	1.1
55.05507	19.4
57.03413	4.0
57.07062	1.8
67.05147	1.4
67.05492	38.8
69.03413	1.5
69.07053	22.4
71.04988	1.4
79.05472	34.2
81.03392	6.0
81.07039	100.0
82.70248	0.9
83.04964	4.2
83.08604	11.7
84.41544	0.8
85.06514	1.7
88.56208	0.9
91.04905	0.8
91.05463	23.3
93.07024	29.7
95.04946	12.9
95.08583	23.6
97.06502	8.8
97.10179	1.1
99.08075	3.7
105.07021	23.1
107.04960	10.2
107.08573	14.8
109.06500	22.9
109.10117	7.2
109.35355	0.9
111.08070	4.7
117.07002	8.3
119.08566	18.7
121.06490	5.8
121.10122	10.1
123.08044	8.7
123.11693	4.1
125.09626	1.5
129.07004	4.2
131.08534	14.1
133.06462	1.0
133.10121	18.6
135.08025	5.5
135.11662	7.0
137.09636	1.8
145.06506	1.5
145.10118	11.2
147.08060	1.0
147.11632	11.6
149.09566	6.3
149.13229	5.3
151.11116	1.9
155.08618	1.3
157.10129	2.1
159.11688	8.4
161.13206	3.5
163.11136	7.8
163.14758	1.5
165.12730	1.9
171.11577	1.5
173.13219	1.5
175.11188	1.7
177.12711	3.6
187.11069	1.4
193.12239	1.3
229.19604	1.3
239.17845	1.5
247.20573	4.2
248.39215	0.9
257.18887	5.1
275.17020	1.9
275.20010	49.8
293.21039	3.9
293.63910	0.9
307.22623	30.9
322.42752	1.1
328.55695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.0
55.01862	8.6
55.05503	57.8
55.48994	3.0
57.03429	7.8
57.09457	3.0
58.15601	3.5
65.98840	3.4
66.22341	3.2
67.05491	87.8
69.07052	50.0
71.04971	8.4
71.15594	3.2
72.05386	3.7
73.06547	3.3
79.05479	73.0
81.03402	20.0
81.07037	100.0
83.04955	6.2
83.08600	27.4
85.06522	6.2
91.05465	87.2
92.09370	4.1
93.07027	83.6
95.04935	66.2
95.08591	68.2
97.06510	19.1
97.10150	5.2
105.07027	68.7
107.04917	18.0
107.08573	48.8
109.06526	10.8
109.10157	29.3
111.08054	7.0
117.06966	24.8
119.08567	64.1
121.06474	7.9
121.10107	31.2
123.08053	13.8
123.11699	4.6
125.09565	5.6
127.26910	3.7
129.06990	7.9
131.08549	46.8
133.10126	46.1
135.08025	6.5
135.11635	25.7
136.88835	3.5
137.09578	8.4
139.11092	3.8
143.08479	3.8
145.09137	3.4
145.10095	31.7
147.11697	25.2
149.09592	47.3
149.13301	4.2
151.11092	5.5
155.08551	5.9
157.10092	4.3
159.11699	20.2
163.11148	44.3
169.10120	7.6
173.13231	15.3
183.11566	5.4
196.01961	4.2
197.13150	3.9
223.13269	19.6
228.93027	3.6
229.19507	4.2
239.17915	15.3
251.96811	3.6
257.18933	24.2
275.20026	99.8
289.21573	4.7
293.21149	31.0
307.22440	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01870	28.7
55.05502	22.6
57.03433	11.0
60.68721	0.9
60.79715	1.0
61.29840	1.0
67.05495	40.0
69.03403	4.5
69.07056	71.1
71.04972	7.7
79.05480	70.3
79.05956	1.8
81.03394	2.2
81.07040	69.7
83.04967	13.7
83.08617	3.9
85.02909	1.5
85.06546	1.3
87.04479	1.4
91.05463	14.6
92.08675	1.3
93.07027	100.0
95.04940	5.3
95.08587	62.8
97.06518	22.9
97.10158	1.3
98.97578	1.1
99.04472	1.0
105.07012	9.6
107.04942	6.3
107.08584	36.1
107.09293	1.3
109.06526	1.4
109.10096	1.1
111.11722	1.8
115.03846	1.0
115.72199	1.1
117.06990	1.7
119.08566	4.1
121.06499	1.7
121.10127	61.8
123.08064	1.2
123.11687	2.0
125.05993	2.1
125.09596	1.8
129.06979	1.1
131.08563	7.2
133.10114	1.2
135.08049	2.0
139.11168	26.8
145.10159	1.5
147.08044	1.1
149.09586	9.2
165.08983	1.3
167.10643	39.3
180.26358	1.0
185.11699	52.1
261.18448	4.9
279.19589	5.6
307.19080	4.2
325.19958	4.1
339.39182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	20.7
55.05489	18.4
68.01128	14.4
76.71391	16.8
79.05453	31.9
81.07038	100.0
83.78008	17.8
95.08572	44.9
107.08596	19.2
109.06525	25.6
120.51418	18.3
121.10062	22.5
121.44708	16.8
239.05238	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10583	0.8
53.03936	2.1
53.31933	0.8
54.66464	0.8
55.01860	5.9
55.05512	11.9
57.03437	7.2
65.03924	1.0
65.78852	0.9
67.05497	21.5
69.03419	1.3
69.07052	8.1
70.45723	1.0
71.04964	1.5
79.05475	48.3
81.03401	8.0
81.07040	100.0
83.04958	4.7
83.08582	2.2
85.02905	1.0
85.06544	1.3
91.05454	16.5
93.07015	23.5
95.04934	8.2
95.08588	20.2
97.06518	8.7
97.10136	1.7
105.07008	15.4
107.04934	2.3
107.08582	13.7
109.06503	41.6
109.10143	10.4
111.08067	6.2
113.09628	1.0
117.07002	4.1
119.08574	8.4
121.06472	2.1
121.10126	13.6
123.08028	5.1
123.11700	1.1
125.09663	1.1
131.08524	6.3
133.10095	12.6
139.11180	1.8
141.09064	1.5
143.08569	1.3
145.10115	2.0
149.09602	3.8
151.11157	2.2
159.07988	1.5
161.09546	1.1
163.11101	1.2
167.10634	1.6
210.08319	1.1
261.18338	3.8
271.16809	1.6
289.17789	8.9
307.18936	7.4
325.20105	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	342.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40947	2.2
53.03943	2.7
54.81612	2.5
55.01866	22.8
55.05506	26.5
57.03429	12.7
57.07071	4.0
59.68737	1.9
65.03954	3.8
67.05493	98.2
69.03423	4.6
69.07054	44.4
71.04972	17.4
71.08627	3.6
74.89348	2.4
79.05473	46.3
81.03403	25.0
81.07037	81.0
83.04967	20.7
83.08623	10.3
85.02892	4.1
85.06522	4.2
85.10205	2.6
88.83601	2.6
91.05459	55.0
93.07025	47.4
93.89019	2.4
95.04943	25.9
95.08579	19.9
96.08907	3.5
97.06512	85.1
105.07008	73.8
107.04948	3.9
107.08572	59.5
109.06496	18.0
109.10146	100.0
111.08087	11.1
113.06006	11.7
114.14303	2.4
117.06975	5.1
119.08577	14.0
121.06500	9.6
121.10139	4.7
121.94530	3.0
123.11695	11.3
129.06963	3.6
131.08565	13.6
132.71228	2.4
133.10115	69.8
135.08015	5.4
135.11708	3.9
145.10072	3.5
147.11626	2.4
151.11130	27.2
161.09575	3.2
169.12369	3.0
177.09023	2.8
177.39093	2.9
279.23215	3.1
289.17996	13.3
307.19086	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	342.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87544	1.4
53.03936	2.2
55.01870	31.6
55.05505	26.7
55.19512	1.3
55.51886	1.5
57.03426	9.4
59.16826	1.5
67.05494	42.3
69.03408	14.4
69.07055	66.9
71.04979	7.8
79.05479	77.1
81.03408	3.5
81.07043	83.7
83.04961	17.3
83.08615	7.5
84.93932	1.7
85.02864	1.7
87.04443	6.8
91.05460	18.8
93.07027	100.0
95.04958	7.7
95.08588	74.3
95.11503	1.6
97.06500	26.8
97.10153	2.3
98.97604	2.5
104.04347	1.7
105.07004	13.6
107.04929	4.5
107.08577	50.7
109.10165	4.2
111.04420	2.3
116.98592	3.7
117.07007	7.4
119.08558	8.8
121.06515	3.4
121.10120	66.9
123.08058	7.0
123.11671	2.6
125.05991	2.1
125.09607	3.5
131.08566	10.7
133.10133	4.3
135.04370	2.8
135.07997	3.5
137.09566	1.9
139.11165	27.2
145.10144	2.7
147.11650	2.3
149.09650	8.1
159.11670	2.3
167.10643	21.8
185.11694	81.6
261.18536	7.0
279.19586	3.8
289.18069	3.6
307.18967	13.1
325.20105	11.7
341.28442	8.0
342.28638	7.9
342.32492	1.9
343.77960	2.3
343.82065	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40947	2.2
53.03943	2.7
54.81612	2.5
55.01866	22.8
55.05506	26.5
57.03429	12.7
57.07071	4.0
59.68737	1.9
65.03954	3.8
67.05493	98.2
69.03423	4.6
69.07054	44.4
71.04972	17.4
71.08627	3.6
74.89348	2.4
79.05473	46.3
81.03403	25.0
81.07037	81.0
83.04967	20.7
83.08623	10.3
85.02892	4.1
85.06522	4.2
85.10205	2.6
88.83601	2.6
91.05459	55.0
93.07025	47.4
93.89019	2.4
95.04943	25.9
95.08579	19.9
96.08907	3.5
97.06512	85.1
105.07008	73.8
107.04948	3.9
107.08572	59.5
109.06496	18.0
109.10146	100.0
111.08087	11.1
113.06006	11.7
114.14303	2.4
117.06975	5.1
119.08577	14.0
121.06500	9.6
121.10139	4.7
121.94530	3.0
123.11695	11.3
129.06963	3.6
131.08565	13.6
132.71228	2.4
133.10115	69.8
135.08015	5.4
135.11708	3.9
145.10072	3.5
147.11626	2.4
151.11130	27.2
161.09575	3.2
169.12369	3.0
177.09023	2.8
177.39093	2.9
279.23215	3.1
289.17996	13.3
307.19086	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	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78121	0.4
53.03928	0.6
54.79837	0.5
55.05502	0.8
57.03431	11.3
59.04984	0.5
61.02913	3.9
69.03408	5.2
71.04987	4.1
71.08614	3.1
73.02898	0.9
79.05488	0.8
81.03391	2.4
81.07039	6.9
85.02892	22.9
85.06528	2.0
91.03958	0.5
97.02882	6.7
98.97562	0.7
99.08076	21.1
109.02855	2.3
109.06507	5.3
110.92723	0.5
117.09113	100.0
121.06522	4.0
127.03902	2.9
127.07549	4.6
127.11193	1.9
137.05919	0.6
145.04933	1.0
163.09633	14.5
212.42967	0.6
230.43362	0.5
257.09872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01865	2.7
55.05495	4.8
57.03431	1.2
57.23655	1.1
59.04988	1.4
63.08575	1.0
64.18185	1.1
67.05492	10.1
69.03419	13.8
69.07043	5.1
71.04967	2.0
79.05476	13.9
80.04974	1.5
80.26572	1.2
81.03398	1.9
81.07027	10.0
83.04939	2.1
83.08653	1.5
85.02903	1.3
86.06053	35.1
87.04448	7.1
88.28005	1.6
91.05459	28.1
92.09349	2.3
93.07024	2.9
95.04937	7.4
95.08570	6.4
96.04462	2.9
97.02890	4.8
97.06513	2.7
98.06033	2.0
99.04408	1.2
105.07014	19.5
106.06631	1.3
107.04932	6.9
107.08590	2.9
108.04456	2.8
109.02892	15.7
109.06500	1.9
109.10133	1.3
110.06001	1.8
111.04420	6.2
115.05370	2.3
117.06987	7.2
119.04936	2.7
119.08550	19.1
120.08060	2.0
121.06485	1.9
122.06007	21.8
123.04407	19.4
123.08005	2.2
127.03877	1.4
128.06213	2.9
129.06972	2.8
131.08556	2.2
132.08003	1.4
133.06497	2.2
133.10117	22.8
134.05975	1.8
136.07549	5.0
137.05969	5.1
143.08531	18.5
145.06444	1.8
145.10085	1.8
147.04337	1.4
147.07997	2.6
148.07552	21.6
149.08327	4.7
150.09090	2.3
161.09601	34.0
162.09088	1.4
164.07039	8.8
171.08000	11.6
174.09132	1.4
175.07475	1.5
176.07001	10.6
178.08626	6.8
178.12283	4.7
179.10609	2.0
181.93254	1.2
188.10704	5.3
189.09067	16.3
190.08594	17.3
190.12234	2.5
193.12207	98.4
206.11786	5.3
218.11804	1.5
218.15398	11.0
221.11725	1.6
228.13805	4.9
236.12740	7.5
246.14836	100.0
256.13403	14.7
264.15894	34.2
274.14224	24.8
292.15381	66.0
307.18918	1.4
310.16446	48.7
324.17966	2.0
342.19159	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	342.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24096	0.6
51.64537	0.6
52.98062	0.8
53.03930	4.9
53.95585	0.7
54.20445	0.6
54.81561	0.7
55.01857	4.5
55.05495	0.9
56.95954	0.8
57.03424	10.5
61.02908	4.2
67.75782	0.8
69.03075	1.2
69.03420	19.7
70.06574	3.5
71.04983	8.9
72.08140	1.9
73.02915	7.2
79.05479	0.9
81.03403	17.4
81.07048	4.5
84.08137	1.6
85.02892	74.3
86.06056	3.4
86.09714	0.9
87.04456	10.4
91.04004	0.8
97.02870	87.5
99.04436	52.6
99.08084	6.8
101.02328	1.4
103.03922	62.1
104.07088	9.9
106.04980	1.0
109.02863	40.8
109.06487	3.1
115.03975	1.2
117.05476	1.4
117.09122	27.6
121.06506	1.1
127.03896	100.0
127.07520	4.2
131.36676	0.8
137.05920	1.1
139.03828	1.0
145.04947	36.5
147.04492	1.0
149.05983	0.9
163.05994	17.9
163.09622	4.9
187.06021	4.2
205.07079	9.5
209.07988	1.2
253.06827	0.9
271.08105	4.8
289.09149	4.3
307.10190	36.7
307.13736	1.4
316.95456	0.8
343.90433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32175	1.1
53.03952	1.4
54.38327	1.2
54.82038	1.7
55.05507	53.0
57.03426	2.0
57.07069	41.8
67.05483	18.1
68.76328	1.2
69.07053	100.0
71.08614	24.0
71.22520	1.3
79.05482	11.3
81.07035	49.2
82.08596	1.4
83.04996	2.0
83.08604	65.9
85.06530	11.7
85.10165	12.5
91.05472	7.2
91.17395	1.2
93.07014	17.8
95.08585	41.3
97.06513	7.5
97.10147	39.9
99.08030	1.4
105.07011	15.0
107.08579	17.1
109.06519	3.0
109.10147	25.2
111.08073	2.7
111.11701	16.3
115.07568	3.3
119.08530	13.4
121.10156	13.7
123.08054	2.1
123.11681	14.4
125.13222	3.2
129.09076	2.3
133.10127	12.0
135.00076	1.5
135.11636	10.1
137.09644	2.1
137.13239	2.9
139.11185	1.7
139.14838	1.9
141.09058	1.7
147.11661	11.0
149.13290	3.3
151.11159	2.3
153.12698	1.7
161.13235	8.2
163.14851	3.1
165.12752	5.1
175.14764	2.6
179.14316	6.1
183.13814	2.9
183.94810	1.8
193.15826	2.0
197.15390	1.9
207.17419	1.8
249.96022	1.5
263.27243	2.3
287.27286	7.7
298.10837	1.5
305.28384	5.4
341.26480	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	342.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91928	0.3
55.05479	0.3
58.26287	0.3
68.05004	1.1
69.03415	11.1
72.08140	2.7
80.71093	0.4
81.90004	0.3
85.02878	0.5
86.06053	30.4
87.04451	100.0
93.74876	0.3
104.07088	91.4
118.08625	1.3
127.03912	0.6
145.04935	0.4
280.02460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.0
57.03434	0.6
57.05830	0.3
64.27170	0.2
69.03417	1.4
72.08141	100.0
78.07255	0.2
79.48422	0.3
85.02894	3.1
86.06065	0.6
87.04451	2.8
97.02896	1.4
99.08094	1.3
99.95473	0.3
101.06020	0.4
104.07092	3.4
109.02921	0.3
109.06522	0.3
117.09106	4.1
118.08637	36.3
118.69976	0.2
127.03905	1.9
135.76587	0.3
145.05028	0.5
163.09680	0.5
329.59052	0.3
338.05948	0.3
358.07550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.0
53.03931	4.3
55.01867	19.0
55.05507	99.7
57.03425	4.6
57.07077	1.2
62.80785	0.9
63.66431	0.9
64.86707	1.0
67.05492	27.0
68.73898	1.1
69.03412	1.8
69.07055	23.2
69.07417	1.8
71.04977	2.5
79.05483	29.7
81.03413	12.7
81.07030	19.2
83.04974	5.5
83.08606	100.0
83.79285	0.9
85.10155	0.9
89.32341	1.0
91.05464	44.9
93.07025	38.8
95.04941	9.1
95.08598	21.3
96.22201	1.1
97.06530	4.4
98.97557	1.6
103.05461	4.3
104.13194	1.0
105.07013	19.9
107.08595	7.1
109.06509	2.3
109.10123	8.9
111.08064	22.4
114.57990	1.0
115.05437	1.3
116.98588	1.9
117.06981	5.5
119.08566	43.6
121.10121	27.7
122.03635	1.6
123.08045	15.8
129.07005	4.9
129.09113	4.0
131.04918	4.5
131.08510	5.2
133.06470	4.3
133.10133	8.2
135.04411	1.4
137.05960	21.2
137.09586	23.9
139.11150	10.2
143.08604	2.2
145.10056	1.3
147.08069	7.1
147.11702	4.0
149.09637	2.1
151.07481	1.3
151.11208	4.7
157.10164	1.3
161.06013	2.1
161.09618	1.4
165.09105	6.4
165.12755	2.5
175.07558	2.0
175.11102	1.0
179.07112	1.1
198.85825	1.3
202.07803	1.2
203.18018	1.7
212.14288	1.2
213.16360	2.6
219.08026	1.8
221.19168	1.3
231.17397	5.4
248.08138	1.1
249.18442	22.8
269.54367	1.2
311.13022	1.5
323.22131	24.8
341.23111	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11064	1.7
53.00304	1.9
53.03947	2.3
55.01857	3.2
55.05512	23.2
55.57981	1.9
57.03430	36.7
57.07070	47.7
60.25517	2.0
67.05494	63.6
69.03427	3.1
69.07060	35.7
71.04990	8.3
71.08614	4.9
79.05473	24.4
81.03401	16.8
81.07050	55.4
83.04971	10.8
83.08611	10.1
85.02896	4.9
85.06567	3.4
85.10174	92.0
91.04903	2.3
91.05473	77.9
93.07032	83.6
95.04957	20.6
95.08593	45.6
97.06500	5.0
98.97546	2.6
99.04505	2.6
99.08109	2.2
102.79717	2.6
105.07020	33.1
107.04992	3.9
107.08577	17.6
109.10147	46.2
111.64945	2.5
113.09637	100.0
117.06995	4.5
119.08567	40.6
121.10137	12.6
123.08071	2.7
123.11701	5.6
131.08556	3.2
133.10130	33.1
135.08040	3.1
135.11665	4.2
137.06052	8.9
137.09602	19.3
143.86751	2.3
147.11658	5.2
151.11177	15.8
165.12729	22.9
169.12268	14.6
203.17915	20.1
221.18953	62.3
249.18431	27.1
267.19586	3.6
270.80630	2.3
323.22205	4.5
341.23230	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77945	1.4
53.00301	2.3
53.03935	3.5
55.01870	20.6
55.05508	100.0
55.64301	1.4
57.03436	39.5
57.07059	8.4
63.44382	1.3
67.05145	2.5
67.05495	64.4
69.03422	17.0
69.07061	45.3
71.04966	10.4
71.08250	2.3
71.08620	50.2
71.64894	1.4
77.82912	1.5
79.05479	46.2
81.03403	18.3
81.07044	55.0
83.04973	9.6
83.08612	57.2
85.02892	2.6
85.06515	2.4
85.10180	9.2
91.05462	60.3
93.06432	2.2
93.07021	60.2
93.07568	3.1
95.04942	19.1
95.08586	74.1
97.06516	17.8
97.10187	3.6
99.04427	2.1
99.08085	16.9
103.05458	3.1
105.07005	25.7
107.08571	9.6
109.06490	8.4
109.10148	22.3
109.61065	1.6
111.08048	21.3
113.09619	9.4
116.98531	2.3
117.07007	7.9
119.08560	41.0
121.06486	6.3
121.10137	26.8
123.08028	7.4
124.15725	1.7
129.07002	2.9
131.04936	1.6
131.08519	3.5
133.06485	3.9
133.10129	15.7
135.04404	27.9
135.08037	12.7
135.11722	1.8
137.05957	3.8
137.09613	31.1
139.11136	15.7
147.08072	7.0
147.11693	3.3
151.11176	24.2
155.10637	12.3
161.06044	3.4
161.09679	1.8
165.09102	2.2
165.12767	15.5
169.12291	1.9
187.07600	2.0
203.17870	1.8
221.19002	6.9
231.17493	3.4
249.18471	30.9
267.19440	2.3
323.22232	13.6
326.90222	1.8
341.23203	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1934
Annotation	Lys His Gly
Peak:m/z	Relative Intensity
53.72000	0.7
55.05497	4.1
57.03427	1.1
58.83217	0.7
67.05491	3.4
69.03402	1.1
69.07053	4.4
69.25076	0.7
71.08064	0.7
73.31668	0.7
79.05474	4.3
80.48064	0.7
81.07040	5.5
91.05454	4.1
93.07023	3.5
95.04951	1.5
95.08591	4.0
97.06527	1.4
103.05408	0.9
105.07016	5.3
107.08592	3.4
109.10175	1.2
119.08533	3.4
121.06532	0.9
121.10149	1.1
123.21511	0.9
135.04413	0.9
135.11697	1.5
137.05974	11.0
161.05968	1.9
189.09052	1.0
191.08672	0.9
277.00748	1.1
341.19305	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	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51324	0.8
55.01843	1.0
57.03410	1.1
58.51374	0.9
59.50847	0.8
68.32524	1.0
70.06568	1.9
72.08131	1.3
74.72285	1.1
76.09247	1.0
77.11426	1.0
79.05470	4.0
81.07050	1.9
84.08120	1.1
91.05455	6.0
94.04153	4.7
95.04933	2.3
95.08551	1.1
97.02872	1.0
103.05444	1.2
107.04918	2.1
109.02901	1.1
109.06496	2.4
115.05405	1.9
119.04903	5.4
121.06442	1.6
122.03624	14.2
125.05936	1.1
128.06198	4.6
129.06969	17.1
131.04890	6.4
131.08499	2.0
137.05956	100.0
143.08603	1.2
144.05733	7.5
145.06503	1.7
147.04422	7.7
149.05956	2.3
150.31519	1.0
151.03889	1.6
151.07495	4.0
156.05646	1.6
157.06461	8.8
158.07263	1.7
160.05157	1.5
161.05913	1.4
161.09619	1.2
162.24217	1.1
165.06853	1.4
171.07970	1.4
172.05139	8.9
174.06729	16.6
175.07495	6.8
177.05482	1.9
179.03345	1.2
179.06909	1.0
187.07512	41.2
188.08260	1.2
189.09079	16.2
190.07747	1.6
191.08542	7.5
199.07558	7.7
202.07774	5.7
203.08546	14.2
205.06493	4.6
207.07867	1.7
208.08823	1.7
211.07512	4.3
212.04666	1.7
217.08545	18.1
219.08029	14.0
220.08769	5.8
225.09169	1.2
227.07021	8.9
231.07999	18.2
232.08720	2.3
233.05896	4.0
233.09578	3.9
235.07463	3.6
236.08235	5.5
237.09036	4.8
239.07016	1.5
245.09483	1.7
247.07410	9.6
248.08269	17.1
249.09135	2.0
250.06076	1.4
251.10793	8.0
253.08521	2.5
255.06433	6.2
259.07434	5.5
260.08340	1.9
261.09048	1.9
262.09659	1.7
263.06921	1.7
263.10590	14.0
264.07782	4.4
265.08536	6.7
270.08838	9.8
271.09564	1.6
276.07761	8.7
277.08411	4.6
279.10040	11.6
280.10849	1.5
281.07919	4.3
283.09546	1.7
291.10089	24.8
292.10901	1.6
293.08136	6.5
296.10391	9.9
303.06567	1.2
308.10260	2.1
311.12802	12.5
323.12729	32.5
341.13824	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73056	1.5
53.00299	3.0
53.03942	3.3
53.61571	1.6
55.01866	4.2
55.05511	6.7
55.84005	1.6
57.03423	4.1
67.05174	1.8
67.05494	6.8
69.07066	4.3
71.51008	1.6
74.97215	1.4
75.25726	1.5
79.05474	35.7
81.07041	4.2
90.04662	2.4
91.05460	37.8
92.06282	1.8
93.07020	3.7
94.04147	1.9
95.04946	14.5
95.08607	2.7
103.05447	99.6
104.06281	2.9
104.48288	1.6
105.07017	58.9
107.04195	3.4
107.04940	95.6
107.08572	2.5
109.06506	7.0
115.05424	19.1
117.07006	7.9
118.04144	41.7
119.04917	7.8
119.08581	2.9
120.05737	12.8
121.06481	18.7
122.07282	4.1
124.05208	8.5
131.04906	13.6
132.05684	1.7
133.06468	100.0
134.07243	15.1
135.04395	13.9
135.08026	46.8
136.05200	2.8
137.05963	10.4
145.07617	2.2
147.08051	16.6
149.05968	4.3
150.06735	40.3
151.07527	2.8
161.05994	6.8
162.06723	2.2
163.07509	87.0
165.09076	89.5
168.19170	1.9
175.11177	8.5
175.52264	2.0
175.82820	1.8
178.09865	22.8
193.08578	36.9
210.96205	1.7
227.06993	7.5
228.07661	1.8
241.04973	3.5
244.07471	2.2
271.09592	48.4
275.19531	1.7
299.12534	2.2
340.29446	3.4
341.20627	3.4
341.26434	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01883	1.1
59.16943	1.0
63.07362	1.1
67.05493	1.2
70.06585	4.1
72.08153	1.3
77.64227	1.1
79.05489	4.2
81.07045	1.5
83.05001	1.3
84.40441	1.1
85.02903	1.4
91.05469	5.6
94.04166	2.5
98.97527	1.6
103.05457	1.7
103.40065	1.3
105.07034	1.3
107.04939	1.6
109.06489	1.5
111.04445	2.4
118.06546	2.3
119.04895	1.7
119.06918	1.7
119.08561	1.3
122.03632	11.6
123.07967	1.5
128.06183	2.6
129.06975	12.7
131.04848	2.2
132.08054	4.4
133.08447	1.4
137.05957	100.0
141.24261	1.0
143.08594	1.9
144.05695	5.6
145.06470	1.2
146.07179	1.5
147.04440	2.2
149.06042	1.3
151.03958	1.7
151.07471	3.8
153.07047	1.1
153.81487	1.2
157.06451	8.8
158.07272	1.2
160.05202	4.8
160.07594	4.3
161.05968	1.6
161.07932	5.5
161.35732	1.1
172.05217	9.4
173.05971	1.8
174.06729	21.1
175.07549	7.1
179.08916	1.4
187.07497	46.1
189.09059	16.1
190.07758	2.2
191.08514	5.4
199.07579	5.4
202.07758	4.1
203.08578	18.0
205.06444	3.9
208.08807	2.0
209.06038	1.2
211.07469	5.0
217.08551	16.0
219.08040	18.9
220.08746	5.9
221.05971	1.7
227.07030	7.0
231.08023	16.5
231.65715	1.3
232.08786	4.5
233.09656	1.4
235.07417	2.6
236.08408	4.5
237.09053	5.7
240.07745	2.1
247.07413	11.7
248.08301	18.6
251.10632	6.1
253.08594	4.8
255.06520	6.2
259.07419	1.7
260.08255	2.1
261.08942	1.4
263.07043	2.1
263.10611	13.8
264.07819	2.0
265.08600	6.9
270.08826	11.6
271.09601	2.4
276.07910	7.1
277.08530	6.3
279.10074	17.5
280.10849	1.5
281.08069	4.6
291.10098	27.0
292.10696	1.5
293.08081	6.2
296.10339	11.9
297.11255	1.5
308.10608	2.6
311.12839	10.7
323.09091	1.6
323.12756	28.2
341.13669	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	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03962	4.5
55.01869	18.3
55.05496	4.9
55.13603	3.9
56.96538	4.4
65.03924	5.6
67.05495	9.5
69.03432	3.7
69.07027	5.0
70.87323	4.0
79.05471	23.6
81.03432	4.5
81.07040	44.1
82.75954	3.9
83.08595	4.2
85.89237	4.0
91.05450	36.2
93.07025	17.0
95.04948	22.9
98.97595	8.7
99.70725	4.7
103.05444	73.7
105.07017	27.7
107.04902	14.7
107.08614	6.5
109.10091	5.3
110.09761	4.5
111.04414	5.6
115.05409	7.4
116.98618	6.5
117.03380	4.8
117.07006	10.1
119.04921	9.4
119.08557	4.1
121.06516	9.8
122.03598	6.6
128.06192	16.2
129.06987	40.5
131.04860	33.7
133.06485	7.7
135.04379	84.1
135.07988	4.8
137.05957	100.0
141.07027	5.2
143.04929	4.7
145.02924	5.3
145.06433	6.8
148.05156	8.8
149.05957	17.3
151.07538	8.9
156.05681	4.6
157.06477	22.7
160.05174	5.6
161.05980	5.3
163.07538	7.1
164.08255	7.3
165.09068	8.7
167.04863	6.9
174.06734	25.0
175.07521	8.0
177.05428	9.8
177.09096	6.1
181.06409	5.2
189.09026	9.7
191.08543	8.1
199.07545	10.1
202.06128	5.5
202.07799	9.2
203.08577	22.4
204.47343	4.7
205.06479	5.8
211.97964	4.1
218.24193	4.5
219.08058	16.3
220.08835	5.0
231.08006	43.1
233.06029	6.1
247.07619	7.6
248.08228	31.3
255.06465	5.3
259.07486	20.6
263.10529	17.0
270.08832	27.2
276.07693	21.2
277.00928	7.7
279.06708	7.5
279.10202	17.7
282.09134	5.3
291.10065	73.2
293.08047	9.8
294.08932	5.7
306.69006	4.3
308.10455	19.7
311.12845	9.1
323.12689	69.7
341.13797	21.0
351.38690	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	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.53769	0.8
53.87104	0.8
54.08123	0.8
54.81076	1.0
65.03913	1.2
71.04976	5.2
72.24270	0.9
79.05473	1.7
82.49153	1.1
89.85651	1.0
91.05450	5.0
94.04128	4.6
94.36380	1.0
95.04941	1.4
107.04920	1.9
109.06481	2.0
111.04431	1.1
113.89286	1.2
115.05422	2.1
119.04917	1.5
122.03630	13.4
128.06224	2.4
129.06982	13.4
131.04892	2.0
133.02855	4.6
137.05952	100.0
144.05692	6.5
145.06422	4.1
149.05960	4.9
151.07547	6.2
157.06461	7.3
160.05130	6.3
165.05446	4.4
166.55295	1.0
168.05598	2.5
172.05133	11.5
173.05898	1.7
174.06752	12.5
175.07507	13.9
177.05411	6.3
177.06804	1.0
179.07106	1.1
185.06090	1.8
187.07504	44.3
187.09175	1.5
189.06975	1.0
189.09076	11.7
191.08459	3.6
196.05141	11.6
197.05902	4.0
199.07553	4.7
202.07692	6.4
203.08524	23.9
205.06406	2.0
211.07498	29.1
212.04625	5.2
213.05409	5.7
215.20779	1.1
217.08589	11.6
218.04437	1.1
218.07137	1.8
219.08026	15.8
220.08792	9.2
221.09666	1.2
225.05460	2.3
225.09181	1.7
227.06989	43.8
228.07654	1.8
231.07993	24.4
232.08800	4.6
233.05951	5.5
233.09579	2.0
235.07431	2.1
236.08322	4.5
237.09073	4.2
238.09886	1.2
239.06996	13.3
240.07762	14.4
241.04974	2.2
241.08537	2.0
247.07501	8.6
248.05910	1.8
248.08260	31.7
249.08955	2.3
250.06111	1.6
251.06877	1.3
251.10564	6.4
253.08499	4.8
254.09372	1.8
255.06453	29.8
256.07343	8.4
259.07516	8.8
261.08984	2.1
262.09760	1.6
263.06903	1.1
263.07486	1.3
263.10602	22.9
264.07776	4.3
265.08423	8.4
268.07214	7.0
269.08115	2.1
270.06061	2.1
270.08823	46.8
271.09589	23.5
276.07764	15.6
277.08539	7.2
279.10074	12.0
281.08023	2.3
283.09622	12.3
291.10095	41.9
292.10834	4.8
293.08023	7.9
296.10385	5.0
305.11725	1.6
307.09460	1.3
308.10437	5.8
311.12772	11.0
323.12726	35.7
341.13715	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.75000	0.9
55.01851	1.0
55.58669	0.8
64.08353	0.8
65.03922	1.3
71.04958	4.2
81.07047	2.5
85.06496	1.3
87.04439	1.9
89.06018	5.0
91.05485	6.9
92.08684	1.3
94.04183	2.0
95.04956	1.5
98.97572	2.4
103.05461	1.4
107.04940	1.1
109.06509	1.6
111.04465	1.3
115.05435	4.2
117.07065	0.9
119.04897	1.5
122.03611	12.0
122.62975	0.9
128.06194	1.6
129.07011	14.1
131.04932	4.4
133.02843	5.6
133.06503	1.4
137.05960	100.0
144.05673	8.1
145.06458	2.3
149.06004	4.4
151.03920	2.0
151.07533	5.6
153.05458	1.5
153.08199	1.0
157.06459	5.4
158.07123	1.1
159.08044	1.0
160.05168	4.7
161.05963	2.5
165.05415	1.7
168.05627	1.3
172.05173	8.4
173.06076	1.4
174.06757	11.2
175.07515	13.3
177.05479	3.6
179.07008	2.2
187.07500	36.8
189.09067	13.6
190.07780	1.3
191.08502	5.7
192.44934	1.1
196.05212	6.7
197.05916	3.9
198.06911	1.3
199.07454	2.0
202.07768	5.7
203.08531	21.9
205.06473	4.7
205.08347	1.2
208.08733	1.2
211.07498	21.8
212.04735	4.0
213.05453	5.9
217.08582	9.3
218.07388	1.7
219.08026	10.4
220.08807	9.8
225.05351	2.3
227.06993	33.2
228.07805	1.8
230.07188	1.5
231.08020	18.2
232.08835	3.9
233.05974	5.4
233.09558	1.7
234.06758	1.6
235.07478	2.0
236.08339	4.0
237.09082	3.7
239.06937	9.1
240.07811	10.4
241.08583	4.2
247.07373	8.8
248.08263	33.1
249.09109	5.4
251.10539	5.8
251.86227	1.1
253.08514	4.6
255.06467	29.6
256.07291	9.3
259.07510	6.0
261.09036	4.9
263.06949	1.4
263.07874	1.4
263.10645	17.9
264.07822	2.1
265.08578	6.3
268.07343	2.1
269.08038	1.5
270.08829	30.1
271.09601	19.9
276.07764	11.0
277.08527	6.9
278.09860	1.1
279.10095	11.7
280.10757	1.2
281.08206	1.8
283.09653	10.3
291.10123	38.9
292.10757	4.0
293.08032	5.9
295.09537	1.7
296.10428	7.3
297.11124	1.8
305.11731	1.2
307.09537	1.4
308.10474	5.3
311.12689	6.5
323.12704	27.1
323.20529	1.0
341.13586	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88198	0.4
54.81017	0.5
55.01834	0.5
71.21546	0.6
79.05475	2.2
81.07003	0.5
91.05461	5.9
94.04166	3.5
98.97548	0.9
103.05433	0.9
105.07007	7.0
107.04950	2.1
109.06497	2.2
115.05437	2.8
117.06995	1.3
119.08532	2.5
121.06475	1.0
122.03632	10.4
122.04442	0.9
128.06187	1.3
129.06981	3.6
131.04915	2.0
132.05635	3.0
133.06487	3.1
137.05954	100.0
144.08052	1.3
145.06429	0.8
146.03581	0.7
147.04370	0.9
147.08040	3.3
149.06055	0.7
155.04892	2.5
159.08061	4.3
160.05177	2.6
160.56113	0.5
160.77161	0.5
161.05939	7.8
162.09132	0.7
163.07426	0.6
165.06885	0.7
169.21509	0.6
171.04251	0.6
172.05281	1.7
175.07520	16.8
177.09140	0.6
187.07480	7.4
189.06857	1.3
189.09122	0.8
190.07750	6.6
191.08519	18.2
193.06541	0.6
199.07521	2.9
202.07811	4.3
203.08484	5.8
204.09093	0.6
205.06563	0.9
207.08038	1.3
208.08769	1.1
215.08543	0.8
217.08583	0.7
218.07224	5.4
219.08017	19.7
220.08794	3.5
221.06050	0.5
231.08047	6.2
235.07397	2.3
236.08258	3.6
236.10458	0.7
237.09181	0.6
245.02122	0.6
246.06682	0.7
247.07494	6.7
248.08328	3.4
251.10603	21.4
253.08476	1.1
259.07486	2.5
260.08292	1.3
261.08945	0.7
263.10687	1.3
264.07779	3.5
265.08624	1.1
276.07788	0.8
277.08569	1.1
279.10083	11.2
280.10782	0.7
281.07968	1.3
291.10010	4.7
292.10837	1.0
296.10345	2.5
309.10950	0.7
311.12735	16.5
323.12823	2.4
341.13843	1.1
343.58636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.52798	0.5
54.81403	0.5
55.01859	0.9
55.84316	0.5
56.96565	0.7
58.24972	0.5
58.94702	0.5
68.03680	0.5
79.05466	2.9
81.07036	0.9
85.02869	0.6
89.37553	0.5
90.22285	0.6
91.05476	6.7
94.04154	4.2
98.97554	0.6
101.74367	0.6
103.05450	0.9
105.07021	5.8
107.04930	2.4
109.06502	2.3
115.05437	2.9
117.06986	1.4
119.04876	0.6
119.08546	3.8
122.03629	13.8
128.06198	3.2
129.07010	5.5
131.04912	2.3
131.08565	0.8
132.05634	0.8
133.06485	4.9
137.05957	100.0
144.05682	2.5
145.06447	1.4
146.03613	0.7
147.04411	1.2
147.08038	3.6
149.05988	1.1
149.09613	2.6
151.07506	1.2
155.04913	2.3
156.05630	0.6
157.06458	2.8
159.08025	3.2
160.05174	1.4
161.05960	6.4
165.06909	0.9
171.08060	0.9
172.05182	4.6
173.05873	0.8
174.06712	3.5
175.07507	12.2
179.08510	0.6
180.09297	0.9
180.11404	0.7
184.05128	1.1
187.07549	13.0
189.07069	1.1
189.09097	2.4
190.07788	6.2
191.08508	15.0
199.07532	3.3
202.07744	4.2
203.08513	10.0
205.06508	0.9
207.08038	1.2
208.08846	3.6
213.86299	0.6
217.08673	1.9
218.07272	5.5
219.08011	18.7
220.08810	3.4
227.07019	1.4
231.07967	8.2
232.08794	0.8
235.07532	2.7
236.08197	4.3
247.07469	7.8
248.08330	6.0
249.09114	1.0
251.10638	16.3
253.08582	2.5
255.06505	1.1
259.07526	3.4
260.08386	2.6
261.09085	0.8
263.06924	1.0
263.10660	4.5
264.07797	3.2
265.08505	2.2
270.08728	1.4
276.07779	3.3
277.08502	1.2
279.10095	12.7
280.07101	0.9
280.10678	0.8
281.08044	2.5
283.09320	1.1
291.10062	7.8
292.10815	1.0
293.07950	1.2
296.10388	3.3
311.12750	12.4
323.12836	5.9
341.13577	3.6
347.43903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1377
Annotation	Obovaten
Peak:m/z	Relative Intensity
52.19952	0.3
53.03940	0.4
53.24945	0.3
55.01853	0.4
61.39475	0.3
66.04700	0.4
79.05479	2.5
80.78895	0.3
81.07026	1.4
91.05470	4.8
94.04160	4.6
95.04940	0.4
103.05441	1.6
105.07004	10.3
107.04937	1.7
109.06498	2.1
115.05425	4.8
117.06998	1.7
118.04088	0.5
119.04944	0.4
119.08569	2.3
121.06496	0.5
122.03623	12.5
127.31387	0.4
128.06174	2.8
129.06969	2.3
131.04922	1.5
132.05676	2.6
133.06464	7.0
137.05956	100.0
138.06248	0.3
141.06956	0.6
143.04951	0.5
144.05663	1.3
145.06430	2.3
146.03601	0.8
147.04388	1.5
147.08034	2.9
149.05965	1.6
151.07578	0.4
155.04941	1.2
156.05687	1.5
157.06543	0.6
159.08073	3.9
160.05185	2.8
161.05943	8.2
163.07617	0.4
165.07022	0.6
166.76668	0.4
167.06947	0.6
171.08014	0.6
172.05193	2.8
175.07520	14.7
180.58296	0.4
181.06448	0.4
183.93565	0.3
184.05141	1.6
187.07535	7.8
189.06935	1.8
189.08981	0.4
190.07735	6.6
191.08516	14.7
192.09335	0.4
199.07532	6.6
201.07013	0.6
202.07738	7.2
203.08557	8.2
205.06458	1.2
207.08092	1.7
208.08832	2.0
218.07303	4.8
219.08017	18.0
220.08795	5.0
221.05850	0.6
222.06790	0.6
230.07230	0.6
231.08020	7.6
232.08667	1.4
233.09641	0.6
235.07492	2.2
236.08282	3.8
237.09021	1.2
246.06686	0.7
247.07513	6.4
248.08296	4.1
249.09108	1.4
251.10614	17.8
253.08595	1.6
259.07483	4.3
260.08286	2.0
261.09042	0.6
262.09900	0.4
263.07071	0.3
263.10608	2.4
264.07852	1.4
265.08505	2.3
267.09830	0.4
276.07758	1.7
277.08551	3.1
279.10132	9.8
280.11035	0.6
281.08060	1.7
291.10062	4.5
292.10904	2.3
296.10345	2.2
309.11237	1.6
311.12714	11.3
323.12659	1.9
341.13821	0.4
354.03165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81645	50.1
67.05496	100.0
69.07047	51.2
75.32306	43.0
76.50546	38.4
81.07018	80.6
86.12926	42.9
91.05466	52.2
98.97562	78.1
104.27755	41.7
105.07010	71.8
107.08580	42.4
109.10124	96.0
116.98615	82.3
117.20387	43.4
134.99637	47.4
135.02046	48.3
136.15979	43.9
151.11093	64.6
197.06328	87.0
275.97726	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01859	12.4
55.05505	27.0
56.58012	0.9
57.03420	13.3
57.07062	6.2
62.29960	1.2
67.05492	84.2
69.03409	5.9
69.07053	27.7
71.04982	1.4
71.08650	1.1
73.06525	1.3
79.05475	31.9
81.07037	78.7
83.04507	1.9
83.04965	21.5
83.08609	8.1
85.06528	14.2
91.05460	48.4
91.06006	2.3
93.07025	41.0
95.04977	10.9
95.08582	17.6
97.06490	5.0
97.10157	1.5
99.08085	2.3
105.07008	65.4
107.04939	6.5
107.08582	56.5
109.06528	8.8
109.10141	85.5
117.07005	4.6
119.08578	6.7
121.06470	2.3
121.10123	5.7
123.08058	2.1
123.11681	20.4
129.07034	1.5
131.08539	7.1
133.10104	100.0
135.08104	1.5
135.11685	2.3
149.09607	2.4
151.11160	73.5
161.09549	4.6
177.09109	2.0
179.10689	11.3
183.13785	22.1
211.13264	1.7
250.45142	1.3
262.53091	1.3
263.20078	1.6
273.18521	6.9
291.19547	6.4
305.21094	7.0
314.00528	1.5
339.28940	6.3
340.29050	9.6
340.35327	1.5
359.77322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05502	3.0
55.51029	0.6
57.03414	1.7
59.16294	0.7
59.42063	0.6
60.03670	0.8
61.02908	1.0
63.90957	0.7
69.03397	4.6
71.05003	1.0
72.08148	0.9
77.76728	0.7
81.03384	4.4
81.07027	1.0
83.04948	1.3
85.02886	4.6
85.06525	1.0
95.08566	1.8
97.06496	0.9
98.97540	1.0
99.04448	1.0
109.02866	10.7
110.07134	4.2
113.05992	11.2
116.98603	0.9
117.05462	8.7
127.03848	1.2
131.04866	0.8
137.05937	9.4
137.78902	0.7
138.09111	1.4
141.05455	15.3
143.10678	0.9
159.06516	0.8
160.07297	1.1
178.08400	5.1
179.03441	0.9
189.07405	0.7
192.97794	0.9
199.57677	0.8
237.05942	0.9
238.75822	0.7
281.08655	3.6
294.18182	1.0
340.13599	100.0
341.13467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.6
56.96551	54.4
58.36847	7.9
67.05486	35.8
81.07038	34.4
91.05453	36.5
92.08749	11.2
93.06995	8.6
103.05421	17.3
103.17580	9.6
105.07016	18.1
107.08575	9.1
109.10155	17.6
120.75306	8.3
131.04884	10.7
133.10092	34.5
137.05946	43.3
151.07538	12.4
151.11159	32.6
163.07521	10.0
188.08319	11.9
192.61688	8.6
193.06435	19.0
273.18408	9.1
286.11890	19.3
311.18692	68.2
312.19321	14.5
327.15982	19.8
329.19965	100.0
330.20309	17.6
347.21182	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	339.253
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
55.05497	16.3
56.96561	15.5
57.03421	4.1
57.07058	19.2
67.05231	3.4
67.05497	49.8
69.07058	29.8
71.04985	9.1
72.01837	4.5
79.05470	23.1
81.07049	39.7
82.22232	4.0
83.04956	5.7
85.02879	4.8
85.06574	6.8
85.10159	26.7
91.05461	49.1
93.07015	26.9
95.04957	19.0
95.08585	21.9
98.97572	100.0
105.07053	34.6
107.08609	31.1
109.10174	37.8
113.09631	24.6
116.98610	74.0
117.06982	5.0
119.08578	35.9
121.10144	5.2
129.06975	9.5
131.08562	26.9
133.10136	22.2
134.99634	59.6
137.09532	4.6
141.12787	5.7
145.10042	4.9
147.11650	8.1
153.00749	4.9
155.99223	4.7
157.10120	11.0
159.11676	4.5
165.12729	23.0
173.13243	9.2
175.11197	17.1
191.14273	7.5
219.17381	8.3
256.96475	6.0
274.97415	75.6
275.97675	4.4
281.65070	5.2
285.22058	7.9
290.41068	4.4
291.69595	4.3
292.98505	80.6
303.23257	23.6
321.24243	7.5
339.19284	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	340.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
53.94980	1.2
54.81305	1.4
55.01860	6.6
55.05500	8.1
57.03431	12.5
59.04994	2.4
60.04515	1.2
61.02898	2.7
69.03416	18.9
69.07061	7.1
70.06563	1.8
71.01318	2.0
71.04973	8.0
72.08163	1.8
73.02898	39.6
79.05463	3.1
81.03399	20.4
81.07045	2.3
83.04967	7.6
85.02393	1.5
85.02885	32.4
85.03367	2.0
87.04447	6.3
97.02867	29.9
97.06506	7.1
97.23563	1.4
98.97546	1.9
99.04435	69.4
101.05990	6.2
103.03928	13.9
107.08618	1.4
109.02863	100.0
113.02355	2.2
115.03905	38.8
115.07526	1.8
116.98571	1.9
120.08069	2.4
125.02341	2.2
125.05945	5.0
127.03890	90.5
133.04944	36.9
137.05913	2.1
143.03430	1.9
143.07008	7.3
145.04919	2.6
147.04356	1.6
161.04428	7.9
161.08067	6.0
179.05455	18.8
183.94911	1.6
261.09543	2.7
264.62485	1.4
287.07568	67.9
305.08636	23.6
323.09549	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03926	2.1
55.05502	30.3
56.96551	2.7
57.03433	3.9
63.16140	2.0
64.32649	1.9
67.05492	46.3
69.03427	8.4
69.07054	31.6
71.04964	4.5
75.62578	1.8
79.05472	41.1
81.03422	2.6
81.07039	91.7
83.08602	10.8
85.06532	2.9
89.03926	3.1
91.04950	3.2
91.05465	44.8
93.07024	78.9
95.04945	13.3
95.08584	100.0
97.06505	11.1
97.10155	13.8
98.97547	32.8
99.08067	2.4
103.24410	2.3
105.07015	93.1
107.08575	72.1
109.06519	5.0
109.10136	52.2
109.30481	2.0
111.08045	3.3
111.11733	1.9
116.98603	28.7
117.03351	10.3
117.06973	15.7
119.08561	67.9
121.06477	3.6
121.10130	50.2
123.08054	4.3
123.11707	17.8
125.09633	9.1
127.07567	2.1
131.08536	20.1
133.10089	45.2
134.99631	21.0
135.08034	3.0
135.11685	28.8
137.09583	9.3
143.08549	9.1
145.02817	23.0
145.10129	21.3
147.08221	2.3
147.11676	45.2
149.09610	2.4
149.13235	12.6
151.11177	4.1
157.10048	3.7
159.11693	26.0
161.13251	24.5
163.11171	4.7
163.14793	9.3
171.11671	4.4
173.13274	7.9
173.73787	2.4
175.14825	12.4
177.05424	25.4
177.12732	5.0
187.14720	17.0
193.15813	2.2
205.15849	3.0
247.16769	2.1
256.96643	3.1
267.21115	3.6
270.66452	2.4
274.97351	24.6
285.22095	9.2
291.23154	18.3
292.98425	21.7
303.23044	18.5
321.24286	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	339.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.9
55.01867	10.6
55.05505	24.8
56.96550	1.6
57.03431	22.5
58.51280	1.1
63.35824	1.3
65.03928	1.3
67.05495	40.4
69.03413	6.0
69.07054	42.2
71.04989	5.4
75.94677	1.1
79.05473	61.6
81.03406	7.5
81.07041	100.0
83.04964	9.7
83.08620	9.6
85.02873	1.4
85.06540	2.0
91.05465	40.4
91.06007	2.2
92.49764	1.2
93.07025	50.4
95.04955	11.9
95.08586	48.0
97.02914	2.4
97.06501	10.1
98.97550	14.6
100.98251	1.4
105.07022	17.7
107.04929	12.7
107.08589	18.5
109.06498	22.4
109.10137	14.0
111.04389	1.3
111.08074	2.7
116.98600	11.8
117.03355	1.8
117.06995	12.7
119.08561	21.9
121.06492	7.8
121.10125	19.4
123.08056	9.1
129.06992	2.3
131.08548	18.0
133.06554	1.9
133.10133	9.8
134.99644	6.5
135.04424	2.4
135.08035	11.7
135.11685	2.5
137.09615	16.2
139.11214	2.1
143.08556	1.6
145.02831	6.0
145.06573	1.4
145.10138	10.2
147.11700	2.6
149.09625	13.6
157.10095	2.2
159.11635	6.3
161.09592	2.2
163.11153	5.0
165.09209	1.8
167.10657	1.5
173.13202	1.9
177.05415	5.0
201.16327	2.0
219.17462	2.6
229.15936	3.1
229.71207	1.4
247.16917	12.4
265.17776	1.6
274.97458	12.3
292.98358	11.3
321.20612	12.2
339.17737	2.1
339.21530	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
53.99926	1.2
55.01867	14.2
55.05302	1.3
55.05506	20.1
56.96556	1.7
57.03426	11.3
57.07054	5.7
64.33277	1.7
67.05145	2.7
67.05495	63.9
69.03419	2.4
69.07056	47.8
69.96352	1.3
71.04964	3.8
75.04472	2.4
79.05479	58.8
81.03406	2.3
81.07037	63.1
83.04955	14.7
83.08611	3.8
84.85844	1.4
85.06526	2.8
86.39795	1.5
91.05463	67.7
93.07026	74.6
95.04941	20.7
95.08585	39.8
97.06491	15.5
98.97582	7.8
103.05397	1.6
105.07014	62.4
107.04944	26.6
107.08577	44.0
109.06513	17.7
109.10143	14.1
110.12290	1.5
111.08047	2.9
116.98624	2.4
117.07007	34.0
117.94998	1.4
119.08559	43.0
121.06488	22.5
121.10118	38.9
123.04440	2.6
123.08041	13.2
128.06163	2.0
128.86151	2.1
129.06990	12.3
130.07771	2.6
131.08548	64.7
133.06526	5.5
133.10120	34.1
135.08028	16.1
135.11684	24.5
137.06015	1.6
137.09586	10.8
141.06946	5.6
143.08545	12.8
145.06483	7.3
145.10101	77.3
147.08051	10.3
147.11627	12.5
149.05975	2.9
149.09610	43.2
149.13222	3.8
151.11166	16.7
154.07785	1.9
155.08531	7.7
157.10115	7.3
159.08008	2.7
159.11636	22.5
161.09560	12.8
163.11154	61.5
165.09045	2.3
169.10114	8.9
171.11630	3.1
173.09613	16.8
173.13182	5.9
175.11183	2.8
175.14877	2.0
175.98946	1.8
177.05385	2.4
177.12682	9.4
177.16383	2.7
179.10661	19.8
183.11682	2.6
185.13229	5.7
187.11185	12.0
187.14763	9.6
189.12634	1.6
191.10652	8.8
201.16350	20.1
209.11659	2.5
211.14754	6.0
219.17421	30.4
223.63815	1.6
229.15863	28.1
247.16887	49.6
265.17920	29.0
269.10678	3.0
274.97684	2.2
292.98413	2.3
321.20575	57.0
339.21631	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	339.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03933	3.3
55.01868	16.2
55.05506	25.9
55.60105	1.2
57.03427	20.7
57.07065	2.2
67.05494	65.7
69.03415	2.0
69.07053	53.7
69.86829	1.4
71.04975	8.0
71.08615	1.4
75.04469	1.4
76.55884	1.6
76.70569	1.2
78.27837	1.4
79.05470	60.1
80.52878	1.3
81.03381	6.4
81.07039	61.2
83.04973	16.9
83.08590	7.7
85.06519	3.5
91.05462	70.1
93.07021	78.7
95.04958	29.3
95.08582	43.3
97.06521	14.2
98.97572	7.4
99.08105	1.6
105.07016	60.6
107.04938	31.2
107.08580	57.7
109.06497	21.2
109.10146	18.4
111.04398	1.8
111.08047	3.0
115.05408	1.9
116.06211	1.6
116.98592	6.8
117.03345	1.4
117.07002	37.0
117.07778	2.9
119.08556	51.9
121.06454	24.8
121.10119	39.7
123.08064	11.2
123.11678	2.9
128.06183	2.7
129.06966	15.5
130.07722	7.3
131.08543	57.7
133.06500	6.7
133.09180	2.7
133.10109	40.8
134.99666	1.8
135.08046	16.8
135.11681	25.7
137.09579	13.1
141.06929	2.6
143.08521	14.0
144.05714	1.5
145.06467	8.4
145.10103	76.5
147.08051	8.1
147.11653	9.6
149.09595	52.7
149.13235	6.4
151.11159	18.7
155.08539	8.4
156.36021	1.4
157.10080	3.1
159.08009	2.4
159.11659	24.4
161.09538	7.6
161.13242	8.4
163.11148	63.6
169.10141	9.0
171.11629	3.1
173.09547	15.6
173.13214	7.0
175.11099	2.6
175.14795	1.8
177.12669	7.9
177.16330	3.3
179.10652	19.1
183.11650	2.3
185.13206	3.6
187.11168	13.5
187.14772	12.3
189.12767	3.5
191.10683	11.8
191.17987	2.4
201.16312	23.3
203.14264	1.8
205.12151	2.2
209.11551	2.3
211.14766	7.7
219.17407	29.0
229.15842	21.1
247.16882	50.9
265.17914	42.9
274.97491	7.2
292.98486	3.4
321.20541	100.0
339.21594	69.9
342.51196	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
53.20243	1.8
55.01871	31.2
55.05508	94.7
55.09824	2.1
55.99271	1.8
56.96563	3.2
57.03436	29.2
63.32155	2.2
64.26688	2.1
65.03925	2.8
67.05495	53.3
69.03429	10.0
69.07050	48.6
71.04976	13.6
71.09365	1.9
79.05476	77.8
81.03393	13.6
81.07042	53.7
83.04963	18.4
83.08605	100.0
85.02888	5.5
91.05462	91.4
92.27510	2.8
93.07021	95.4
95.04940	22.4
95.08597	28.1
97.06505	10.9
98.97543	22.4
99.04445	25.8
105.07011	28.6
107.04922	21.5
107.08580	88.6
109.06522	11.4
109.10138	15.9
111.04422	16.2
111.08076	17.8
116.98577	21.2
117.03358	8.9
117.06991	36.0
119.08579	27.4
121.06528	4.9
121.10125	18.8
123.08057	3.6
125.09612	28.6
129.07002	4.7
131.08539	38.5
133.06512	2.6
133.10118	16.8
134.99626	10.2
135.08054	28.2
135.11787	8.1
137.09622	14.4
139.11197	4.3
145.02811	20.6
145.06429	4.1
145.10117	18.9
147.11702	3.2
149.05992	4.0
149.09619	36.3
153.09082	11.0
159.11603	3.0
163.07455	3.2
163.11148	9.1
167.10660	4.2
173.13243	3.0
177.05478	26.4
177.09096	5.3
178.99892	2.3
201.16342	21.7
212.69269	2.3
219.17406	34.6
229.15944	2.9
235.44829	2.7
239.22850	2.5
239.72299	2.5
247.16910	18.0
256.96548	3.2
262.49121	2.3
265.18112	4.2
274.97382	22.3
292.98486	18.7
321.20511	5.9
339.17725	4.9
339.21558	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67433	1.8
51.73894	2.5
53.00289	2.7
53.03930	3.4
55.01858	13.0
55.05506	26.4
56.96554	2.5
57.03434	22.7
57.07066	4.3
61.20758	1.8
67.05491	63.0
68.19245	1.8
69.03403	9.4
69.07057	64.8
69.07415	4.6
71.04971	4.9
72.47912	2.2
75.04482	2.3
78.61767	2.4
79.05476	65.6
81.03385	3.7
81.07038	86.9
83.04965	23.0
83.08572	4.9
85.06535	3.0
91.05460	79.8
92.63644	3.1
93.07021	92.9
95.04943	28.8
95.08587	60.6
97.06511	20.2
97.10126	5.3
98.97577	17.2
105.07011	67.0
107.04936	31.5
107.08569	63.6
109.06506	25.4
109.10136	24.1
111.08089	2.9
116.98602	11.8
117.03358	4.2
117.06987	34.8
119.08551	50.2
120.43804	2.2
120.55216	2.5
121.06504	29.7
121.10116	49.5
123.08012	16.4
123.11674	13.6
125.05994	2.4
125.09500	2.6
128.06122	2.4
129.06987	13.4
130.07742	2.3
131.08545	79.8
133.06436	5.5
133.10095	39.9
135.08049	17.5
135.11667	27.1
137.09604	5.3
139.11110	2.7
141.06975	5.1
143.08521	21.2
145.02864	18.2
145.06502	2.8
145.10103	86.7
147.08009	17.2
147.11639	13.6
149.05949	4.6
149.09590	65.1
149.13252	3.6
151.11143	21.7
153.91246	2.2
155.08548	5.7
157.10065	9.8
159.11655	30.5
161.09558	10.6
161.13220	5.2
163.11153	74.0
165.09109	4.0
169.10109	11.3
171.11665	5.1
173.09602	14.4
175.11171	2.2
177.05453	27.4
177.12692	9.4
179.10620	18.2
183.79916	2.4
185.13287	3.4
187.11125	9.1
187.14771	16.1
189.12733	3.3
191.10681	15.2
191.14354	2.9
201.16362	21.6
203.14262	4.0
205.12198	4.9
211.14897	4.1
219.17383	31.7
229.15802	28.3
247.16849	61.3
265.17883	51.4
274.97476	5.6
292.98477	9.3
321.20511	96.7
321.23660	4.4
329.41074	2.3
339.17715	5.2
339.21603	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	339.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
56.96545	7.3
67.05486	2.7
71.29771	1.5
79.05471	6.9
81.07048	2.6
85.43185	1.8
87.97510	1.9
91.05477	14.0
93.07045	3.6
95.08595	2.8
98.97570	53.8
103.05447	52.5
105.07035	7.2
111.11765	2.0
114.36418	1.7
116.06229	1.7
116.98601	59.7
117.07077	2.1
118.07788	9.0
119.04926	2.1
123.08025	2.5
130.07721	1.6
131.03938	3.9
131.04903	89.9
131.08598	5.7
133.27222	2.0
134.25865	1.7
134.99648	31.6
135.04398	45.0
135.08055	11.6
145.06473	7.4
146.07243	9.8
147.75793	1.6
149.05981	21.0
151.07487	2.7
153.00687	8.1
159.08014	2.2
161.05960	82.5
164.08211	1.7
175.07552	2.8
176.08298	100.0
189.09145	1.8
190.95319	2.7
191.10619	24.6
217.12097	6.0
232.96422	6.8
250.97504	3.0
256.96405	3.0
264.37292	1.8
274.97418	45.3
292.98477	46.9
297.99219	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26942	1.0
55.05488	1.4
56.96547	1.1
57.07069	1.6
57.69368	0.9
67.05507	1.1
69.07044	1.3
69.92100	0.9
81.07042	1.4
92.09312	1.7
92.61429	1.0
95.08584	1.6
98.97556	6.2
116.98589	7.2
119.08577	1.1
134.99612	4.4
149.02351	1.3
165.80334	1.0
191.74789	1.2
193.04927	5.8
201.14780	1.1
203.95497	1.2
223.43768	1.2
274.97263	6.2
284.06284	1.2
292.98453	6.2
339.19003	100.0
339.28043	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	339.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01856	9.7
55.05494	13.6
56.47530	1.5
56.65623	1.5
56.96554	3.8
57.03428	7.1
57.07067	1.7
64.33257	1.8
67.05491	37.4
69.03415	8.0
69.07055	28.7
71.04958	4.3
79.05473	48.8
81.03381	3.9
81.07040	100.0
83.04961	9.4
83.08596	2.6
85.06512	2.4
91.05457	46.9
92.09269	2.2
93.07020	39.2
94.07864	1.7
95.04939	10.7
95.08585	27.6
97.06501	4.1
98.97543	24.0
103.05454	1.8
103.60319	1.7
105.07010	37.6
107.04916	17.1
107.08575	26.7
109.06499	39.0
109.10145	10.9
111.08124	2.0
116.98583	29.9
117.03355	7.8
117.06996	20.2
119.08562	34.6
121.06462	14.3
121.10122	23.8
123.08053	11.5
123.36804	2.0
125.09528	1.7
129.06944	6.7
130.07719	3.0
131.08525	26.9
133.06525	2.2
133.10115	16.4
134.99632	16.5
135.08040	11.6
135.10539	2.0
135.11682	10.5
137.09628	10.0
141.06927	2.0
143.08524	4.3
144.23392	2.0
145.02838	23.3
145.06413	3.5
145.10094	39.0
147.08011	9.3
147.11676	2.7
149.06108	4.0
149.09595	25.7
151.11163	11.8
155.08517	2.7
157.10155	2.3
159.11650	13.5
161.09612	3.9
161.13272	2.5
163.11157	31.3
165.09061	2.1
169.10147	3.4
171.11659	2.4
173.09642	6.9
175.11089	1.8
177.05443	22.1
179.10657	7.6
179.19492	1.9
185.09885	1.7
185.13217	3.9
187.11147	8.1
187.14703	6.7
191.10695	3.4
201.16331	9.4
202.07669	1.9
211.14841	3.2
219.17383	15.1
229.15790	10.0
232.96333	1.8
247.16849	33.6
265.17892	14.7
274.97415	24.6
292.98538	22.7
321.20502	35.9
339.21567	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49849	0.8
52.51425	0.7
53.03906	0.8
55.05499	4.0
56.96546	2.0
57.03419	6.1
61.02906	1.9
67.05500	7.4
67.90273	0.9
69.03408	2.5
69.07053	23.8
69.30402	0.8
71.04967	1.0
72.08112	1.2
73.02900	0.9
73.06532	1.9
79.05473	1.8
79.17128	0.9
81.03371	1.1
81.07036	24.1
81.39017	0.9
85.02423	1.5
85.02889	27.4
85.06516	1.3
85.26997	1.2
85.60538	0.9
86.09718	1.8
93.07017	1.1
95.08583	100.0
96.95744	1.6
97.02856	2.4
97.06512	6.6
98.97540	2.0
99.04446	5.0
99.08060	5.1
105.07000	1.4
113.09631	17.5
115.07547	20.2
116.98584	1.7
123.08048	32.8
126.09191	1.4
127.03915	1.3
137.05960	1.7
141.09084	50.1
145.02782	1.6
147.04335	1.8
159.10133	37.3
177.05414	1.8
224.08002	1.5
264.42206	1.0
338.12839	1.2
338.17676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
56.96556	1.3
63.02360	0.4
63.35594	0.3
67.05489	0.5
68.33472	0.2
69.03416	18.8
69.07069	0.3
73.02057	0.2
79.05482	1.2
81.03402	0.6
81.07051	2.1
85.02898	0.6
89.03894	9.9
89.33236	0.3
91.05473	1.6
93.07006	0.6
95.04933	0.4
95.08585	0.7
97.02879	2.1
98.97559	3.1
103.05431	1.1
105.07001	0.5
106.04156	0.3
106.55701	0.3
107.08559	0.5
109.02862	1.3
109.06580	0.3
116.98615	3.1
117.03358	38.7
118.03604	0.3
119.04954	0.6
119.06802	0.3
119.08545	0.7
127.03893	4.7
131.04875	0.5
134.03615	2.1
134.99635	1.7
135.04414	3.2
136.07530	0.4
137.05951	1.8
138.09155	0.6
145.02829	96.9
146.03209	0.4
149.05962	13.4
161.05952	0.3
163.03815	1.7
175.11169	0.3
177.05435	100.0
178.05806	0.3
186.05446	0.5
189.05414	0.3
217.26784	0.4
235.52710	0.4
261.07498	0.7
274.97473	3.1
292.98505	2.7
317.94022	0.3
321.09586	2.6
339.10583	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2732
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.10956	1.3
53.00310	1.3
53.03922	2.4
55.01874	2.2
55.05504	57.0
57.03171	2.4
57.03428	33.8
57.07063	3.9
61.50459	1.4
67.05492	100.0
67.61621	1.3
69.07051	45.2
71.08602	1.5
71.56978	1.5
75.84692	1.6
79.05465	23.5
81.07039	87.5
83.04974	2.5
83.08598	20.2
89.88912	1.4
90.78322	1.5
91.05466	14.3
93.07034	22.1
95.08588	77.0
97.06523	2.1
97.10179	11.7
105.06994	14.5
107.08566	8.0
109.10151	22.8
111.27535	1.5
119.08572	10.4
120.18859	1.8
121.10120	9.0
123.08008	1.7
123.11675	8.5
133.10115	6.3
135.11646	1.7
137.13234	1.9
144.57968	1.9
147.11708	3.2
161.13246	2.4
164.39107	1.5
211.35251	1.7
337.27298	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01860	1.8
55.05507	58.7
57.03225	1.7
57.03437	31.6
57.07059	9.8
60.26943	1.8
65.03938	2.2
65.77971	1.9
67.05494	100.0
69.07055	48.2
71.04955	2.6
79.05480	32.5
81.07040	91.9
82.07391	1.9
83.04972	3.4
83.08612	20.0
85.06499	2.0
91.05463	23.6
93.07035	28.2
94.07363	1.9
95.04953	4.1
95.08587	67.2
97.06532	8.0
97.10140	7.4
98.97534	2.5
105.06996	19.1
107.04941	3.4
107.08596	14.0
109.06509	3.8
109.10149	20.4
116.98663	2.2
117.07003	2.5
119.08605	13.2
121.10108	8.4
123.08051	2.4
123.11677	7.5
129.06935	3.2
131.08553	8.3
133.10112	9.0
134.99626	2.3
137.09625	3.3
145.10143	2.5
147.11647	7.2
149.13264	3.2
161.13258	2.0
165.54053	2.1
194.11792	8.9
250.17973	7.0
273.59616	1.8
306.24088	3.0
319.16629	12.2
319.22354	2.5
337.27292	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.3
55.05269	1.9
55.05506	41.6
56.96572	1.5
57.03428	29.3
57.07059	4.4
57.53709	1.5
65.03913	2.2
67.05492	87.8
67.85210	1.6
69.06715	2.6
69.07053	43.0
79.05480	21.7
81.07044	81.3
83.08604	21.4
85.06496	1.7
91.05443	13.7
93.07023	22.0
95.08583	55.6
97.06519	2.4
97.10146	6.9
97.87914	1.7
98.97535	2.2
105.07005	9.1
107.08566	9.5
109.10149	21.4
119.08530	9.9
121.10116	7.3
123.11681	7.8
133.10098	7.9
134.99599	1.7
135.11667	6.2
147.98317	1.8
175.14833	2.6
202.04330	1.7
263.23447	2.6
284.07254	1.9
337.17499	3.7
337.27289	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	337.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69041	0.7
55.05488	0.8
55.23848	0.8
60.38438	0.7
65.18260	0.8
67.05487	2.0
73.82677	1.0
78.13713	0.7
81.07031	1.7
81.42933	0.9
82.66089	0.8
83.04955	1.0
87.94666	0.9
91.05447	0.8
92.09237	1.0
92.38305	0.8
95.08589	0.9
98.97581	1.4
111.04457	1.6
129.72168	0.8
134.99692	1.3
149.26846	1.0
154.71582	0.9
319.22321	1.3
337.23404	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	337.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
64.33080	0.3
67.05472	0.5
69.07045	1.7
79.05438	0.6
81.07038	0.6
82.33839	0.3
84.70428	0.3
91.05437	0.5
93.06995	0.5
94.04143	1.5
97.06506	0.5
107.08578	0.7
109.10123	1.1
116.98578	0.4
122.03633	5.3
133.10054	0.3
135.11691	0.5
137.05957	100.0
153.12758	0.6
170.15332	0.6
181.03433	0.4
182.15372	1.9
204.10732	0.3
223.49278	0.3
306.20578	5.0
311.50021	0.3
346.18533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23816	0.7
52.17348	0.6
53.00290	1.1
53.03923	0.8
53.81173	0.8
54.81744	0.7
54.86600	0.6
55.01874	1.6
55.32868	0.6
56.79161	0.7
56.96549	1.1
57.03426	0.8
61.02906	5.1
67.05491	3.7
69.03423	7.7
69.07056	100.0
70.02937	3.1
70.06579	1.6
73.02925	0.8
79.05488	7.6
81.03405	3.7
84.08125	1.5
85.02888	23.3
91.05453	1.2
93.07017	4.3
95.04955	4.8
97.02873	11.6
97.06493	5.9
97.79291	0.7
98.97549	3.7
103.03963	0.9
109.02874	4.0
112.07588	18.6
113.05980	1.3
114.05470	1.3
116.98605	1.6
121.06535	1.1
121.10131	1.1
125.98790	0.8
127.03897	3.0
131.05042	0.8
134.99634	0.9
136.55795	0.8
139.07516	8.0
140.07039	35.5
140.08076	1.7
145.04945	1.2
153.08942	0.8
154.08682	0.8
156.06656	0.9
157.08563	5.1
158.08098	57.3
164.07040	0.9
182.08125	10.1
200.09207	9.5
217.03764	1.2
240.15413	0.9
266.10519	1.3
302.12326	1.4
319.12854	0.9
320.13351	15.6
337.13663	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	337.2006
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
53.00294	2.5
53.03939	2.9
54.81743	1.5
55.01858	8.8
55.05506	14.9
57.03430	24.9
67.05493	39.2
69.03416	15.5
69.07055	100.0
70.77030	1.6
79.05478	60.8
81.03396	13.0
81.07027	30.1
83.04975	4.2
83.08604	1.7
91.05462	50.9
93.07021	36.3
95.04953	12.3
95.08589	19.8
97.02870	20.4
97.06499	11.5
105.04534	2.0
105.07023	20.0
107.04903	12.5
107.08595	16.5
109.06495	3.7
109.10145	3.5
115.05463	2.4
116.98588	2.4
117.06985	10.5
119.08561	26.0
121.06478	3.9
121.10110	24.0
123.08035	2.6
125.05998	3.1
126.18749	1.7
129.06993	10.4
131.08554	22.0
133.06516	1.9
133.10089	7.7
135.08043	7.2
137.09636	3.1
143.07053	10.7
143.08591	7.3
147.08092	4.2
147.11658	3.0
149.09624	9.8
157.10036	4.3
158.66286	1.7
159.11731	2.3
175.07411	1.7
175.11186	2.6
191.71696	1.7
199.14891	1.9
217.15930	2.2
245.15387	3.9
261.49759	1.7
319.19040	3.4
337.19974	44.9
348.59778	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	7.2
57.03421	1.7
61.02914	14.9
61.03162	1.7
66.06837	1.7
69.03407	6.4
69.07042	2.7
70.06570	1.6
71.47747	2.0
72.08120	2.6
73.02900	3.0
74.02427	2.4
81.07041	2.1
85.02892	3.8
88.73488	1.6
92.09303	3.1
95.08603	3.5
98.97559	2.4
115.05456	1.9
117.05676	1.9
118.06532	11.5
121.10118	2.2
129.06984	20.8
129.09099	2.2
130.06482	32.4
132.08064	18.2
132.77225	2.1
139.07504	2.6
139.11107	3.0
141.06898	2.0
142.06511	2.9
143.07266	8.5
144.06914	3.3
144.08057	68.0
146.05975	28.4
154.06474	18.0
155.07285	2.4
156.08057	100.0
157.08664	6.7
157.12146	2.8
158.05984	9.2
158.09628	15.7
160.07562	24.6
166.06442	2.7
166.09146	1.5
167.07243	12.5
168.08049	47.0
170.05968	51.9
170.09723	6.9
172.07498	8.0
173.07092	2.0
180.08058	8.5
182.05965	44.6
182.09586	14.7
183.06735	12.2
183.09154	6.8
184.07536	54.6
186.09100	2.5
188.07004	35.1
193.09111	2.0
194.09584	2.7
196.07509	9.1
197.08313	2.9
198.09081	6.3
200.07011	2.3
202.08566	25.2
205.09668	11.1
208.07489	2.1
210.09140	10.3
212.06973	14.7
214.08464	2.0
216.10072	2.0
220.07578	2.5
224.06937	2.5
228.06506	8.5
228.10155	19.7
229.09691	19.4
230.08092	49.3
238.08665	8.3
246.11240	16.9
247.10741	27.2
254.08041	2.7
260.09131	1.9
264.12094	3.1
266.08029	3.2
271.10663	3.7
284.09036	9.0
301.11526	8.3
302.10263	15.0
319.12741	3.9
320.11307	14.4
322.61108	1.9
337.13895	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89888	2.0
54.81660	2.3
57.07019	2.0
59.31443	2.3
83.03220	2.2
97.67229	2.8
129.32509	2.4
140.87961	3.3
168.66464	2.3
223.27345	2.7
248.15547	2.6
249.51486	2.6
271.19229	2.7
337.08859	100.0
346.75162	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	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97955	3.6
69.07058	5.0
70.06570	3.9
85.02905	7.8
87.15725	3.6
90.09740	4.2
93.07052	4.2
95.04893	4.3
97.02875	6.1
97.06499	4.5
98.97603	5.0
111.89368	4.5
117.07507	4.1
134.09894	4.3
135.81635	4.2
197.41197	4.2
200.04019	4.2
238.27612	3.6
240.33640	3.7
337.08847	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	337.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04271	0.5
53.39201	0.4
56.05033	3.9
56.96550	0.6
60.04511	0.8
67.05482	0.5
69.03401	0.6
69.07051	2.6
70.06565	0.9
71.04980	0.6
72.08138	1.3
79.05459	3.5
81.07028	0.8
82.02929	1.1
83.30507	0.5
84.04492	42.5
84.08119	1.0
85.02885	4.2
85.06532	0.7
86.09695	1.2
91.05449	0.5
93.07008	1.2
93.54863	0.5
95.04926	0.6
95.08585	1.0
97.02855	1.1
97.06501	0.6
98.09657	2.7
98.97554	2.4
102.05524	13.0
103.05451	17.0
105.07013	12.3
106.06539	100.0
116.98563	0.7
120.08150	0.5
121.06480	0.7
121.10123	0.8
127.03840	0.6
128.98589	0.6
130.04985	3.0
131.04907	94.2
136.07515	0.6
139.11133	0.6
144.08093	2.4
144.10191	2.0
145.02855	2.3
146.09596	3.6
147.04442	1.2
148.06160	2.3
148.07552	44.4
157.12167	0.8
159.04431	0.5
161.06068	0.6
177.05414	2.0
190.08589	29.7
192.10162	2.1
236.09171	3.2
260.09247	1.3
337.13715	1.9
337.17557	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05264	0.8
55.05504	11.6
57.03435	11.8
57.07068	1.5
59.04960	0.5
64.36271	0.5
65.62836	0.5
67.05494	55.0
69.07063	6.6
71.04977	15.7
73.73595	0.5
79.05479	13.4
81.03400	0.8
81.07040	100.0
83.04957	2.9
83.08597	7.7
85.06528	9.9
91.05460	17.7
92.09312	0.7
93.07026	25.1
95.04942	0.9
95.08573	8.9
97.06534	7.0
97.10137	2.6
99.08054	1.5
99.55545	0.6
102.42012	0.5
103.03902	0.7
105.07008	8.9
107.08573	11.6
109.06496	3.0
109.10126	7.8
111.08046	3.5
117.06983	5.7
119.08572	0.7
120.68134	0.6
121.10129	3.6
123.11678	13.0
125.09565	0.7
131.04800	0.6
131.08511	5.5
133.10106	18.1
135.11684	2.7
149.13235	8.4
151.11163	6.1
159.11659	17.0
161.13222	1.2
169.12173	2.5
177.12715	17.7
179.14217	3.8
187.13281	9.5
195.13783	4.0
230.25266	0.6
233.50980	0.7
243.15863	44.8
251.16362	4.9
269.17429	45.7
301.20090	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	336.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
60.27663	1.2
60.88948	1.1
67.05511	2.6
68.88903	1.2
73.47591	1.2
73.92246	1.1
76.47800	1.6
79.05482	2.0
83.53677	1.2
93.07053	1.4
107.08540	1.9
112.47012	1.3
123.81778	1.3
321.93634	1.5
335.21631	38.2
336.22064	100.0
345.54288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
60.27663	1.2
60.88948	1.1
67.05511	2.6
68.88903	1.2
73.47591	1.2
73.92246	1.1
76.47800	1.6
79.05482	2.0
83.53677	1.2
93.07053	1.4
107.08540	1.9
112.47012	1.3
123.81778	1.3
321.93634	1.5
335.21631	38.2
336.22064	100.0
345.54288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
67.05495	2.3
67.18803	0.5
69.07047	1.0
72.43536	0.5
74.41994	0.6
79.05434	0.9
79.19209	0.6
80.79409	0.6
81.07027	1.0
82.06554	0.7
85.02907	0.8
91.05446	0.8
93.06998	1.3
94.06559	0.8
95.08550	0.7
97.09520	0.6
100.11201	0.7
107.08595	1.0
119.08573	0.8
122.08821	0.6
132.16148	0.6
135.04500	0.7
136.07547	0.7
174.96860	0.6
177.12662	0.9
197.95097	0.6
276.23190	1.4
294.24252	4.9
318.20462	0.7
335.21890	27.6
336.22168	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	336.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.2
55.20990	1.1
57.03429	9.8
57.07054	3.0
59.04993	1.3
64.47784	1.3
67.05491	55.5
69.07056	6.8
71.04975	17.2
75.12438	1.1
76.11513	1.5
79.05478	10.6
81.07040	100.0
83.04970	2.3
83.08615	7.8
85.06528	15.4
91.05477	16.4
93.07015	19.0
95.08593	7.4
97.06520	1.9
105.07028	7.7
107.08573	12.9
109.06519	2.9
109.10147	8.1
117.06988	1.7
121.10111	1.8
123.11681	16.8
131.08574	2.4
133.10069	14.9
135.11679	3.0
137.05981	1.8
149.13245	7.3
151.10095	1.2
151.11179	8.0
159.11687	8.1
169.12234	2.6
177.12708	11.8
179.14310	5.6
187.13322	13.4
195.13773	1.5
224.89412	1.7
233.45732	1.5
243.15866	71.6
251.16316	2.2
269.17407	47.2
335.29608	2.1
336.25421	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.01864	12.1
55.05502	12.2
56.96521	1.5
57.03434	20.0
59.69588	1.7
62.79389	1.8
64.29721	1.5
67.05490	66.5
69.03419	4.3
69.07055	14.4
71.04971	8.4
79.05475	50.9
81.03393	22.3
81.07039	50.8
83.04958	34.6
83.08598	6.9
85.02891	7.6
85.06534	7.8
91.05458	34.9
93.07021	57.9
95.01333	3.0
95.04935	27.0
95.08587	17.7
97.02866	19.7
97.06493	20.8
97.10129	3.7
99.04447	3.3
103.05439	2.2
105.07010	15.6
107.04935	48.1
107.08573	33.1
109.06496	4.2
109.10163	2.9
111.04429	42.5
111.08086	9.8
115.05469	2.2
117.06996	21.5
119.04845	2.3
119.08553	24.7
121.06491	4.4
121.10123	46.3
123.04433	4.4
123.08028	2.5
125.05996	3.5
129.06993	6.8
131.04932	7.9
131.08495	17.0
135.04411	2.1
135.08047	4.3
135.11667	41.5
137.05916	21.4
139.03870	27.9
145.06480	11.1
145.10110	53.7
147.08095	2.0
149.05971	4.4
149.09616	9.8
151.03894	2.7
153.12718	12.4
155.08548	14.3
157.08768	2.2
163.11151	54.6
173.09570	37.1
173.77206	1.9
181.12213	15.8
191.10623	18.2
207.13774	7.0
209.11731	8.1
225.14877	9.0
227.12755	17.4
237.14969	2.3
247.13329	2.8
265.14249	38.9
266.52597	1.9
283.15341	72.5
301.16428	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	336.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31304	0.6
55.01865	5.3
55.05494	1.2
57.03426	1.2
62.33807	0.8
62.98142	0.8
67.05494	7.7
69.07077	1.0
71.04978	3.3
79.05480	5.2
80.99305	0.8
81.07041	14.2
84.04520	1.4
85.06548	1.0
85.96566	0.8
87.04466	1.9
91.04915	0.8
91.05462	9.7
92.09327	1.6
93.07037	4.2
103.05466	4.6
105.07009	21.4
107.04951	14.6
107.08594	1.4
108.05724	9.0
109.06507	74.1
111.04426	1.2
114.36873	1.1
115.05441	1.5
117.07028	7.8
119.06075	1.2
119.08571	4.0
121.02791	0.8
121.06499	10.0
123.08061	4.2
123.11731	1.0
131.04872	0.9
131.08554	1.2
131.43797	0.8
133.06476	15.7
135.04387	19.4
135.08043	6.0
136.08795	1.2
137.05959	16.5
137.09593	10.2
138.09146	1.4
139.07518	1.0
141.06978	1.0
145.06441	7.6
147.04416	1.5
147.08058	1.8
149.05989	8.6
150.06772	5.6
151.07547	8.1
152.06157	1.1
153.05457	1.1
153.06949	1.7
155.08556	1.0
159.11699	1.7
161.05919	1.3
163.07515	35.9
164.08321	4.7
165.06981	6.0
165.09064	17.6
166.07701	9.2
167.07065	1.5
167.08521	1.9
170.87387	1.1
175.07562	1.0
177.09050	1.0
177.12744	1.4
179.10635	11.0
180.09291	1.1
181.06454	4.5
181.10077	10.7
183.08005	2.0
184.05199	1.0
187.07542	1.1
187.13316	1.6
191.08514	6.9
194.07239	8.9
195.08006	6.1
195.11671	1.9
197.05971	1.4
197.09760	1.0
198.06752	3.3
198.10385	1.1
199.07533	6.4
201.09076	9.2
208.08839	4.5
209.09593	31.8
210.06615	1.2
211.07523	11.4
212.08363	5.8
213.09149	4.2
219.07996	5.0
221.05905	1.6
222.06758	4.9
223.11174	4.5
225.09065	2.1
226.09879	10.3
227.07030	9.2
227.10535	9.5
236.08275	6.3
237.09071	32.7
238.09799	0.9
239.06926	6.5
240.07748	1.9
241.08722	2.9
241.12189	8.8
243.15898	6.1
251.10596	8.0
254.09305	19.0
269.11685	100.0
269.17490	6.5
270.11914	0.9
279.04996	0.9
282.96927	1.0
301.14310	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
54.48418	1.1
55.01857	1.4
55.05504	22.3
55.56597	1.1
57.03425	26.1
67.05489	86.7
68.12379	1.5
69.06781	1.2
69.07057	19.0
73.65327	1.4
77.37375	1.4
79.05472	50.0
81.07037	84.6
83.08595	8.2
91.05450	24.5
93.06505	2.2
93.07024	53.4
95.04946	2.0
95.08578	57.7
96.47199	1.5
97.06464	2.1
97.10122	1.7
98.22639	1.5
105.07011	16.5
107.08584	28.5
109.06459	1.5
109.10138	22.3
117.06984	7.7
119.08549	12.7
121.10120	21.5
123.11673	7.2
131.08521	9.3
133.10097	9.4
135.11623	13.4
145.10068	3.8
147.11661	3.5
149.13222	8.1
157.83543	1.4
159.11652	6.8
161.13202	2.7
163.14774	1.8
166.34305	1.6
173.13148	5.9
187.14783	2.4
212.26123	1.7
243.20949	2.1
261.22015	9.2
274.88821	1.4
275.58905	1.4
311.74469	1.8
335.21246	16.9
335.25674	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.67012	2.1
53.00292	2.5
53.03926	2.2
55.05506	27.0
56.76267	1.9
57.03425	33.2
57.13197	1.8
58.10611	2.1
66.33533	1.7
67.05493	98.1
69.07062	19.4
76.71715	2.0
79.05473	54.8
81.07035	87.1
83.04967	3.3
83.08600	3.6
91.05453	27.9
92.08673	2.5
93.07021	71.9
95.04949	14.0
95.08579	66.1
98.97561	2.1
99.92709	2.6
105.07018	18.7
107.08591	37.5
109.10130	26.0
117.06977	2.6
119.08547	18.0
121.10113	18.2
123.11654	4.7
131.08534	13.0
133.10075	13.0
135.11679	13.8
145.10147	3.9
147.11656	9.0
149.13229	10.6
161.13202	2.7
163.14810	3.5
173.13228	3.5
187.14780	2.6
192.90112	2.0
220.81667	2.4
243.00482	2.6
243.21082	2.7
261.22156	2.7
335.21866	15.9
335.25674	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68508	0.6
54.81478	0.6
55.05498	5.2
57.03424	5.4
62.24608	0.5
67.05492	14.6
69.07043	3.7
79.05473	7.0
80.31593	0.5
81.07037	14.1
83.08646	0.8
91.05463	3.6
92.09342	0.6
93.07021	9.9
95.08590	13.0
105.07021	2.7
107.08597	4.0
109.10163	4.7
117.06985	0.9
121.10101	2.5
131.08516	1.0
135.11682	2.9
145.10063	1.0
149.13271	1.1
159.11699	0.8
159.79170	0.8
167.81404	0.6
232.50592	0.7
248.65160	0.7
261.22156	0.8
335.21921	100.0
335.25742	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	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53636	2.6
51.55322	2.0
52.89669	2.3
67.05469	3.7
69.07051	3.0
72.04491	3.3
86.80032	2.5
91.05453	22.4
92.05782	11.5
92.09364	5.3
95.08579	3.6
105.06969	2.4
107.08626	3.1
143.75955	2.6
162.78203	2.3
165.12729	4.3
166.13048	3.1
190.26247	2.7
204.76089	2.5
295.53561	3.3
335.21872	100.0
335.25595	5.3
350.79953	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	335.2214
Annotation	Pachyclavulariolide N
Peak:m/z	Relative Intensity
55.01860	10.1
55.05507	33.9
57.03436	32.8
64.33312	4.8
67.05497	65.4
69.03419	9.1
69.07056	23.0
79.05462	57.2
81.07040	81.6
83.04958	6.9
91.05456	58.4
93.07029	66.2
94.37486	5.3
95.04950	28.1
95.08583	50.3
97.06507	4.5
97.72507	4.7
101.26981	4.7
104.11203	4.4
105.07021	46.3
107.04929	20.9
107.08579	38.4
109.06502	23.4
109.10121	10.6
111.77994	5.5
113.32013	4.4
117.07004	21.3
119.08546	45.1
121.06460	22.2
121.10106	9.5
123.08056	19.0
129.07027	7.6
131.08536	31.3
133.06470	8.6
133.10110	32.3
135.08080	10.4
135.11711	6.2
137.09605	28.5
139.18687	5.1
145.06432	5.8
145.10114	32.2
147.08040	7.7
149.09576	11.8
157.10143	8.6
158.94061	5.2
159.11638	6.4
161.09662	6.9
173.09521	5.8
175.11124	5.8
187.11060	6.1
233.19026	5.2
243.17310	6.5
261.18481	100.0
279.19516	8.6
317.20963	6.3
335.22076	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15200	0.5
57.07066	10.2
58.06587	2.2
63.61959	0.6
63.82368	0.6
70.06577	33.9
71.08616	2.4
72.08133	4.0
84.08127	3.7
85.10165	0.9
86.09672	6.3
88.07615	10.1
102.09153	5.3
119.75888	0.6
132.10179	12.0
146.11742	13.8
184.20621	4.1
189.76904	0.6
210.22156	1.5
228.23192	17.1
272.25787	60.3
316.28241	0.8
334.29453	100.0
335.29834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0634
Annotation	beta-Nicotinamide mononucleotide
Peak:m/z	Relative Intensity
59.06125	0.2
60.05611	0.2
69.03417	2.8
72.08121	1.6
79.57699	0.2
80.04999	3.9
81.03414	0.3
84.04488	1.1
84.08105	0.3
85.02891	0.4
86.76984	0.2
91.05432	0.4
96.04465	1.4
97.02872	30.9
98.98412	1.8
106.02864	0.4
116.07063	0.3
118.08595	0.3
123.05531	100.0
127.05009	0.2
137.05931	0.4
138.06264	0.2
155.07011	0.2
155.69908	0.2
215.10556	0.4
295.13147	0.2
335.13385	0.5
338.46030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35712	0.5
55.05506	2.3
57.03430	2.9
66.81033	0.5
67.05494	10.3
67.95809	0.6
69.07041	2.7
79.05492	5.5
79.59258	0.6
81.07041	8.7
88.55425	0.5
91.05476	2.9
93.07018	5.2
95.08583	7.1
105.07059	0.5
107.08582	3.1
109.10153	1.5
117.06986	0.7
119.08594	1.1
121.10110	2.5
131.08556	1.2
133.10100	0.7
135.11708	1.0
137.84146	0.6
138.56192	0.7
156.06950	0.6
237.52779	0.6
335.21899	100.0
335.25708	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	334.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.04793	0.6
56.05024	7.8
57.06810	0.6
57.07063	9.2
58.06316	0.5
58.06587	11.4
60.04507	3.0
65.70648	0.4
66.99197	0.4
68.04997	0.6
70.06565	0.8
71.08592	3.0
72.08134	5.0
74.06059	6.4
75.55968	0.4
85.10120	0.6
86.06031	5.1
88.07607	65.8
89.06003	0.8
100.07571	2.3
102.09181	0.8
103.44412	0.6
104.07061	6.8
104.50578	0.5
118.08643	1.7
132.10172	19.5
144.14760	0.4
162.11165	4.3
166.10735	3.5
188.21837	0.5
212.23705	0.6
242.24713	54.6
254.24741	1.0
286.27347	18.9
316.28241	1.8
334.29428	100.0
335.29785	0.7
335.64349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84027	0.5
55.05498	0.5
56.05028	0.8
57.07066	9.8
59.46153	0.5
60.04515	3.0
64.76628	0.6
70.06577	22.5
71.08607	1.5
84.08118	2.8
85.10159	1.4
86.09668	0.7
88.07610	21.7
89.06036	0.7
95.08577	0.7
98.97584	1.0
102.09157	2.6
114.09154	15.2
116.98608	3.0
118.08690	0.9
132.10184	40.0
135.36426	0.6
135.54370	0.6
176.12788	7.9
190.06581	0.6
194.13869	9.4
196.47000	0.7
208.48415	0.7
214.21698	1.4
228.23222	8.0
230.98567	0.6
235.25883	0.7
246.24295	5.0
290.26822	5.0
334.29456	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	334.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97243	0.4
55.05487	2.2
55.05726	0.4
56.05045	4.1
56.05252	0.7
58.86587	0.4
67.05487	10.1
69.03416	4.0
69.03718	0.4
69.07045	1.0
70.06582	8.5
71.04984	0.6
72.08103	0.5
79.05466	3.1
81.07030	16.3
83.08575	1.8
84.04494	3.6
86.06048	24.5
87.03947	1.1
87.04448	23.6
91.05458	6.6
92.09294	0.6
93.07027	1.1
95.04936	0.7
95.08575	0.6
95.28949	0.4
96.08102	3.8
98.06030	50.2
98.97533	0.6
105.07011	4.0
107.08560	3.0
109.06473	0.7
109.10136	2.9
112.07566	3.3
112.25668	0.5
116.98577	0.6
122.05994	0.9
123.11674	1.9
124.07563	18.4
131.04919	0.7
133.10091	8.4
147.04353	1.0
151.11162	19.0
164.07088	0.7
165.07449	0.8
167.07048	0.7
168.13785	12.8
186.14839	2.8
208.16933	0.8
218.15379	0.9
226.60773	0.5
236.13959	0.6
236.16403	31.1
272.18497	100.0
273.18927	1.1
316.21127	19.5
334.22137	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12223	0.2
55.05492	0.4
55.25544	0.2
65.56342	0.2
67.05485	0.4
69.07021	0.2
69.62576	0.2
79.05488	0.3
81.07033	0.6
81.95220	0.2
87.88709	0.2
91.05426	0.4
92.08724	0.5
98.97580	0.3
105.06995	0.2
106.06547	1.9
107.07337	0.3
107.08559	0.5
117.05727	1.0
118.06511	5.6
121.10072	0.3
130.06502	1.0
131.05035	0.2
131.07274	2.1
132.08102	2.7
133.08824	0.3
134.09605	0.9
134.99597	0.3
137.05984	1.3
146.09625	4.0
147.11699	0.3
159.10435	0.3
160.11214	3.5
162.09125	10.1
162.12724	0.4
172.11226	0.5
174.09229	0.3
176.10666	7.1
177.11453	0.9
188.14322	0.3
190.12234	14.5
204.13843	2.6
218.15334	0.3
232.17064	0.4
244.20566	2.5
272.17010	0.5
272.20020	17.1
290.21075	1.2
311.06732	0.3
316.22574	0.5
334.23706	100.0
335.24091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03931	4.6
55.01852	6.4
55.05505	9.0
57.03431	12.9
57.07060	15.8
59.04993	13.4
61.02912	13.9
63.22102	0.9
67.05486	13.7
69.03412	41.9
69.07053	17.2
71.04972	6.9
73.02894	5.7
79.05449	2.6
81.03400	20.3
81.03864	1.4
81.07031	7.0
83.01310	1.3
83.04961	1.1
83.08611	4.6
85.02888	100.0
85.06533	12.1
86.06029	1.6
86.09671	1.0
87.04453	7.3
91.03925	6.5
91.05467	2.5
93.07019	8.3
95.04942	3.9
95.08010	2.0
95.08584	48.1
97.02865	32.1
97.06495	7.7
99.04430	5.2
99.07421	1.2
99.08067	28.1
107.08572	14.8
109.02860	9.1
109.06474	7.2
109.10134	25.4
111.04443	1.3
111.08075	12.9
113.09628	25.9
119.08555	1.2
127.03896	16.3
127.11171	31.5
135.11656	18.8
137.05904	1.9
145.04906	10.5
151.58186	1.2
153.12718	68.1
155.14203	3.6
171.13766	41.4
171.14845	1.1
177.12753	1.7
184.30284	1.2
195.13718	1.5
213.14903	1.6
315.19693	5.3
333.18985	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	333.2033
Annotation	PGB3
Peak:m/z	Relative Intensity
53.85828	1.0
55.93634	0.9
57.29296	1.1
92.08813	1.1
136.11966	1.1
159.32440	1.0
315.19272	27.5
333.20303	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	333.1327
Annotation	Coluteol
Peak:m/z	Relative Intensity
54.81168	0.3
55.01860	0.3
56.42786	0.2
59.51763	0.2
61.27154	0.3
65.34180	0.2
66.04707	0.4
69.03413	0.3
70.06557	0.5
72.08116	0.6
79.05463	1.2
81.07025	0.7
85.02866	1.4
88.15825	0.3
91.05460	2.8
94.04168	5.8
95.04930	0.6
97.02859	0.3
107.04926	1.4
109.06502	0.4
112.59986	0.3
116.98560	0.4
119.04906	1.5
122.03623	15.8
123.04350	0.3
131.04898	0.3
135.04393	4.8
135.07997	1.1
136.04765	3.4
136.08389	0.3
137.05954	100.0
138.06369	0.4
147.04411	1.3
149.05946	1.3
151.03851	0.5
151.07510	0.5
153.05508	0.4
153.06943	0.5
154.05771	0.4
161.05920	0.4
167.07080	0.3
178.08240	0.3
179.07028	0.5
181.06383	1.1
181.43341	0.3
191.92198	0.3
197.07182	0.5
199.07440	0.4
202.84590	0.3
210.06845	0.5
213.09039	0.4
221.05908	0.4
241.08653	0.4
273.11240	1.3
285.10995	0.5
318.50647	0.3
333.10620	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	333.1509
Annotation	1-Dehydro-9-fluoro-11-oxotestololactone
Peak:m/z	Relative Intensity
50.48873	2.0
55.93523	12.7
56.94319	2.9
57.07062	3.3
58.10916	2.5
60.06953	2.7
67.05507	4.1
70.95848	6.2
71.92986	3.4
72.93772	23.1
77.04826	2.4
79.05477	5.6
88.96893	2.7
90.29950	2.6
90.94820	12.9
91.05476	5.0
93.04424	2.5
93.07034	6.2
105.07041	5.7
107.08535	3.0
108.95889	6.3
120.08431	3.2
126.98487	3.5
128.96278	3.7
131.98775	3.0
146.97374	4.1
164.99991	4.7
165.97124	4.9
178.97876	4.1
183.98109	4.6
213.03564	4.5
214.04538	3.4
227.05251	3.8
279.08380	4.6
281.09653	3.3
315.13397	3.1
329.11954	4.4
331.13553	13.5
333.14926	100.0
333.19873	3.6
333.27484	4.5
340.93570	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1156
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
51.87533	1.3
56.96555	2.8
57.94564	1.3
63.47504	1.3
65.04779	1.1
66.58691	1.3
69.03403	1.7
70.06554	1.6
78.66325	1.1
82.83047	1.3
84.08133	3.1
85.02888	3.2
86.09676	1.9
92.08680	1.6
97.02870	2.0
98.97612	2.6
113.67318	1.4
123.05527	6.1
124.16476	1.3
134.96776	1.3
136.06174	7.8
137.05925	2.8
167.13588	1.2
167.89038	1.3
168.70009	1.3
171.06195	1.3
172.51868	1.2
177.00719	2.8
240.03731	1.8
333.11505	100.0
333.15109	15.9
343.32544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76975	0.1
53.03924	0.3
55.01866	0.2
57.03436	0.4
61.02914	0.7
69.03413	1.3
70.06554	0.4
72.08153	0.3
73.02883	0.2
79.05470	1.5
81.03398	0.7
84.04489	0.2
85.02884	4.1
86.09676	0.3
87.04480	0.2
91.03868	0.2
94.06542	0.2
95.04949	2.2
97.02890	1.2
97.73507	0.2
107.04935	100.0
124.07578	0.2
127.03897	0.7
133.69336	0.2
135.04408	6.0
135.08025	57.1
137.05948	0.3
145.04846	0.2
153.05438	9.0
252.28073	0.2
311.51965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05505	5.4
56.05029	1.9
67.05484	2.8
68.05016	1.2
69.03415	4.8
69.07043	1.5
70.06586	13.2
71.04984	4.7
72.08128	2.0
79.05460	8.0
81.03347	1.4
81.07032	12.3
82.06534	1.5
83.04974	2.7
84.04492	7.9
84.08131	2.1
85.02884	1.7
86.06053	37.7
86.09701	2.6
87.04453	31.6
91.05438	1.9
93.07022	11.9
95.04979	1.6
95.08585	2.5
96.08124	2.4
97.06520	4.9
98.06041	100.0
104.07085	1.8
105.06994	1.5
107.04956	1.8
107.08588	1.9
109.10181	1.5
112.07567	3.7
114.32974	1.3
119.08533	1.7
120.08040	1.3
121.10110	12.1
124.07584	7.1
126.05504	16.2
126.39022	1.3
131.08553	5.4
133.10062	1.1
135.08043	1.2
137.05968	5.1
138.09125	6.6
138.12781	1.6
139.11243	2.0
140.07051	1.8
142.08632	7.1
149.09593	21.2
152.10703	9.6
154.08620	7.1
158.44279	1.1
161.05974	1.8
166.12279	6.7
167.10699	1.8
170.11717	7.1
184.13303	14.7
193.04991	1.6
206.15361	7.5
210.14720	1.4
224.16455	11.7
224.18396	1.4
234.14902	5.2
235.09471	1.3
252.15916	36.0
270.16913	1.1
288.18027	68.7
288.21204	2.7
311.11697	1.2
314.19580	22.9
332.20679	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	332.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01863	1.2
55.05511	7.8
55.50164	0.6
56.05029	5.2
60.83279	0.6
63.82748	0.6
64.33040	0.6
66.04079	0.6
67.05494	10.6
68.04974	0.7
69.03413	6.4
69.07055	5.1
70.06576	6.7
71.04974	4.2
72.04500	0.8
72.08170	1.0
74.80182	0.6
76.92262	0.6
79.05479	9.3
80.04995	1.6
81.03391	9.4
81.07045	18.8
82.06576	1.2
83.04965	6.2
83.08606	5.4
84.04490	9.9
84.08140	1.7
85.02882	3.3
85.06534	1.0
85.97466	0.7
86.06050	31.7
86.09725	0.8
87.04453	39.5
91.05461	8.0
93.07034	12.8
94.06539	0.9
95.04955	4.5
95.08599	9.1
96.08094	2.9
97.06512	11.8
97.10178	3.2
98.06026	12.9
100.11243	16.0
102.05539	3.7
104.07085	17.2
105.07012	7.7
107.04970	6.8
107.08575	5.1
109.06515	1.3
109.10161	1.3
112.07592	10.1
113.05994	0.9
114.05458	1.0
115.07494	0.7
117.06973	1.1
119.04986	1.4
119.08540	4.5
120.08092	0.9
121.10155	5.2
123.04380	1.5
123.08069	1.1
124.07570	9.1
125.09629	1.5
125.39171	0.8
126.05483	1.0
126.09170	3.1
129.06982	1.6
131.04913	0.7
131.08565	4.8
133.10118	4.3
135.08037	6.8
135.11688	1.5
137.05919	5.9
137.09686	0.8
138.09128	1.4
138.12766	1.5
140.07065	1.5
142.08615	5.6
147.04410	1.4
147.08009	0.9
147.11731	5.2
148.07578	3.1
149.09601	19.4
149.13153	0.9
151.07518	0.8
157.10129	1.3
158.08054	5.3
159.11649	1.0
165.12724	3.4
166.12268	1.9
167.10718	1.1
170.06369	1.0
175.11147	4.4
177.12773	1.3
182.15424	3.4
184.13365	2.9
189.09068	0.8
193.04948	3.6
193.12245	9.0
194.15388	1.3
195.13779	2.9
210.14868	10.7
211.13275	9.1
212.16405	2.8
213.14838	1.5
217.08656	1.6
228.15948	1.6
232.16971	1.0
235.09663	1.5
243.09720	1.0
250.17938	1.7
252.15930	0.9
260.16357	3.2
261.11145	1.0
268.18811	1.2
270.16968	14.8
278.17438	4.8
288.18155	1.7
296.18491	4.9
314.19568	100.0
331.09262	0.9
332.20239	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	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53777	0.1
53.53182	0.1
54.39971	0.2
55.01862	0.2
57.03432	0.3
58.63449	0.2
61.02911	0.7
69.03414	1.8
70.33413	0.1
71.02509	0.1
71.04994	0.1
72.08124	0.2
73.02892	0.3
73.55409	0.2
77.03898	0.2
79.05484	1.8
81.03397	0.9
85.02891	6.1
86.09724	0.2
91.05447	0.2
92.08737	0.2
95.04950	1.9
97.02876	1.8
99.04443	0.2
107.04942	100.0
109.02869	0.8
123.65856	0.1
124.53831	0.1
127.03878	0.6
131.68440	0.1
135.04408	8.2
135.08035	42.7
137.05901	0.3
145.04921	0.6
147.20006	0.2
153.05446	14.6
242.77989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56891	1.3
53.03937	2.6
54.81535	1.5
55.01856	2.3
57.03425	9.3
61.02917	12.2
64.88150	1.3
69.03416	22.8
71.04967	2.1
73.02921	5.8
76.30894	1.4
79.05475	2.7
81.03394	8.5
81.07040	16.9
85.02895	100.0
91.03945	2.8
97.02886	29.7
99.04436	7.8
107.04941	35.2
109.02885	11.1
109.06520	2.4
120.74567	1.5
124.07611	2.7
125.73462	1.4
127.03915	16.8
140.07051	3.1
145.04933	23.0
152.07086	7.3
153.05493	8.1
170.08113	15.1
173.06050	1.8
180.08659	7.7
212.09181	1.6
219.06471	2.4
323.76923	1.6
332.13461	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	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87551	0.7
53.00297	2.0
54.52417	0.7
55.05508	11.1
57.03427	7.7
57.07067	100.0
65.05628	0.8
67.05493	20.1
69.07054	13.7
70.06579	7.4
71.08613	59.8
75.04472	1.5
79.05470	1.6
81.07037	25.3
83.08596	15.4
85.10165	26.1
88.07607	10.3
93.07031	1.2
95.08582	40.7
97.10149	5.6
102.09148	1.4
106.08652	4.2
109.10135	16.7
111.11712	1.2
123.11691	5.0
135.05898	0.9
137.13271	1.7
172.96277	0.8
204.05145	0.8
230.86705	0.8
239.23651	13.7
257.24750	4.2
271.23950	1.1
286.20407	0.8
312.32364	3.0
313.27316	36.6
313.32916	1.5
330.33569	22.9
331.22464	1.1
331.33939	22.3
335.39795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59982	0.2
53.03938	0.5
54.78824	0.2
55.01868	0.2
56.46293	0.2
56.48912	0.2
57.03425	1.0
58.12935	0.2
61.02909	1.9
65.29926	0.2
66.22755	0.2
66.77890	0.2
69.03416	2.8
70.06580	0.9
71.04965	0.3
72.08141	0.2
72.82515	0.2
73.02896	0.9
75.88406	0.2
79.05470	4.3
81.03398	1.2
84.08164	0.2
85.02885	11.3
86.09687	0.2
87.04447	0.2
87.46046	0.2
89.52312	0.2
91.03944	0.5
91.05453	0.4
91.28917	0.3
91.42329	0.2
95.04934	3.8
95.61955	0.2
97.02879	3.0
99.04436	0.3
102.20589	0.2
105.07014	0.3
107.04936	100.0
109.02862	1.0
117.06986	3.4
127.03880	1.5
135.04390	68.6
135.08020	24.5
135.09071	0.6
137.06010	0.4
137.07375	0.2
139.46230	0.2
145.04900	0.5
153.05437	24.5
193.88881	0.2
264.90857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1877
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.01340	0.5
55.10723	0.6
95.96984	0.7
110.86671	0.6
163.74184	0.7
167.35158	0.9
300.07016	0.8
331.18744	100.0
332.19022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.00307	1.0
55.05510	13.7
57.03222	0.5
57.03435	7.9
57.07069	100.0
66.71992	0.5
67.05495	21.9
69.07053	14.6
69.11009	0.5
71.08616	55.9
75.04468	1.2
78.62624	0.4
79.05463	0.8
81.07040	27.6
83.08605	13.8
84.92100	0.6
85.06530	0.9
85.10167	25.6
88.66888	0.5
89.06033	0.9
93.06982	0.9
95.08582	37.6
97.10152	8.5
99.11722	1.2
103.07550	0.9
109.10146	14.9
111.11706	1.1
111.74992	0.5
117.62148	0.6
120.10143	0.6
123.11674	5.1
133.10156	0.6
137.13261	1.4
151.14761	0.8
165.16411	1.0
221.22591	0.9
239.23669	14.9
257.24716	3.0
313.27325	42.7
331.18661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	3.1
55.05505	14.8
56.96578	0.7
57.03431	7.8
57.07068	100.0
57.57632	0.7
60.51464	0.6
62.42711	0.6
64.33746	0.8
67.05494	24.3
69.07053	13.7
71.08616	57.8
73.71198	0.6
77.47009	0.6
79.05498	1.1
81.07039	27.8
83.08607	14.6
85.10166	29.7
85.85088	0.7
89.05982	1.2
93.07015	1.1
95.08586	41.4
97.10146	7.5
97.90958	0.6
98.11487	0.7
109.10143	15.5
111.11768	0.8
113.81119	0.7
121.40540	0.7
123.11694	4.6
125.13210	0.7
133.02803	1.0
137.13260	2.9
141.27560	0.7
151.14874	0.9
155.07246	0.7
159.25732	0.8
165.16454	0.8
204.25970	0.7
221.22667	1.1
239.23665	14.4
257.24796	1.6
311.19229	0.9
313.27325	42.2
347.06503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95433	0.8
53.00296	1.8
53.03943	1.0
54.81514	1.0
55.05507	12.2
57.03428	5.7
57.07067	100.0
58.07404	1.6
59.09026	0.9
67.05492	19.1
68.49415	0.9
69.07057	12.2
70.06577	14.9
71.08616	61.3
72.48575	1.1
79.05484	1.5
81.02557	1.0
81.07031	23.9
83.08601	14.0
85.06538	1.2
85.10168	30.0
88.07619	17.6
92.06646	0.9
93.07061	1.0
95.08585	35.5
97.10157	7.0
102.09164	5.4
104.22291	1.1
106.08630	9.9
109.10146	13.5
123.11684	4.7
137.13239	1.2
191.55084	1.0
239.23648	12.9
257.24637	2.0
269.69339	1.2
312.32413	1.6
313.27344	38.0
313.32706	3.2
330.33566	39.3
331.33957	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
65.73293	1.6
79.05468	3.6
84.20485	1.7
88.14644	1.7
91.05471	45.3
94.04160	3.7
95.04953	9.8
103.05450	9.3
105.07024	4.1
106.47690	1.7
107.04939	16.8
109.06520	3.9
115.05487	2.3
117.06954	1.9
119.04940	27.6
121.06461	11.6
122.03637	12.0
124.05120	2.1
128.06192	3.4
129.07011	23.5
131.04935	8.5
135.08031	8.6
136.05206	3.2
137.05963	100.0
145.06477	4.1
146.07295	2.6
149.05984	12.7
151.07527	80.6
152.06194	2.7
153.06937	2.1
157.06467	10.8
161.05971	22.3
161.09584	2.3
163.07451	18.1
165.06960	18.6
165.09149	3.6
166.07803	3.6
167.08545	32.3
169.06416	2.6
174.06763	11.3
175.07544	3.2
177.06941	3.2
178.07767	9.9
179.08557	2.8
181.06503	8.4
181.75534	2.1
182.07291	8.1
184.08830	2.6
189.09128	19.3
192.09306	3.5
193.06488	12.5
193.10146	10.4
194.07230	7.2
195.08049	41.2
196.08817	2.9
197.05972	4.4
197.09589	4.1
203.08411	2.3
207.10182	4.1
209.06027	2.6
209.09634	3.9
210.06735	19.2
211.07541	3.6
212.08307	3.9
221.06017	14.1
221.09586	22.5
223.07497	16.6
224.08208	4.5
225.05507	3.5
225.09087	13.9
227.07118	4.0
227.10638	42.9
237.09061	3.0
238.06264	11.1
239.06905	2.8
241.08635	4.3
249.09103	3.7
252.07764	3.2
253.08551	17.2
253.12146	10.1
255.09966	22.2
267.10165	4.2
269.08020	4.4
272.10330	4.3
281.11774	3.2
285.11176	12.5
287.12766	37.7
313.14316	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20723	0.9
55.01865	1.8
65.03932	1.0
67.05500	1.3
68.62939	0.8
79.05479	5.4
80.89320	1.0
81.07043	1.1
85.02916	0.9
91.05468	40.4
92.09360	1.7
94.04153	3.4
95.04971	9.0
103.05458	7.1
105.07013	9.9
107.04939	8.4
109.06506	6.0
111.04426	1.5
115.05463	3.6
117.03374	1.1
117.07020	1.8
119.04922	23.2
119.08591	0.9
121.06477	8.6
121.16212	0.8
122.03641	12.8
123.04449	1.5
128.06201	6.1
129.06992	21.6
131.04942	6.6
131.08539	1.5
133.06473	1.4
135.08028	7.2
136.05199	4.8
137.05962	100.0
143.04945	1.3
145.06488	4.1
146.07251	1.0
147.04385	1.7
147.08046	0.9
148.05128	1.8
149.05956	10.0
151.03908	3.4
151.07529	66.4
152.06142	6.0
153.07004	3.9
154.07700	1.0
155.08553	1.2
157.06485	12.3
158.07358	1.0
161.05965	19.8
161.09613	4.1
162.06709	1.4
163.07535	15.5
165.06975	20.0
165.09122	3.6
166.07762	4.4
167.07201	0.9
167.08534	27.2
169.06497	3.3
174.06764	8.8
175.07523	4.3
177.06963	3.5
177.09172	1.6
178.07732	11.4
179.08536	1.9
181.06367	6.2
182.07283	6.5
183.08147	1.2
184.08754	1.1
187.07510	1.2
189.09082	21.9
191.08510	1.3
192.09325	1.8
193.06439	10.9
193.10109	13.8
194.07300	3.6
195.08035	36.8
196.08836	1.9
197.05971	9.2
197.09631	1.2
198.06938	0.9
198.99864	1.1
199.07614	1.1
203.08539	1.4
205.06465	1.8
206.07259	1.6
207.08066	1.1
207.10167	3.7
209.05965	5.0
209.09627	3.5
210.06767	14.8
211.07544	6.0
212.08362	6.0
220.08850	1.5
221.06006	10.2
221.09575	14.1
223.07518	10.9
224.08302	8.8
225.05542	1.5
225.09061	14.9
227.07062	3.8
227.10634	28.4
231.07962	1.6
237.09042	1.8
238.06204	9.2
238.09857	1.6
239.07056	4.6
239.10513	2.8
240.07776	6.2
241.08638	2.0
241.12218	1.4
249.09146	4.7
251.06955	1.1
252.07785	5.0
253.08578	20.3
253.12216	17.1
255.06607	1.0
255.07214	1.2
255.10120	22.4
267.10165	7.8
269.08051	8.5
269.11154	1.6
270.08844	1.3
272.10361	5.0
281.11731	4.4
285.11203	13.5
287.12732	33.1
301.14319	1.1
313.14243	11.6
331.15317	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85217	2.6
74.07885	2.6
78.85892	2.8
79.05464	5.3
81.07056	4.2
91.05459	43.8
91.83142	2.9
95.04958	5.6
103.05463	4.1
105.07012	4.1
107.04912	11.2
119.04938	29.1
121.06508	5.9
122.03625	13.1
128.06175	6.8
129.07007	17.7
131.04875	3.8
133.06450	4.0
135.08029	5.0
136.05180	5.0
137.05948	100.0
145.06499	4.6
145.33054	3.9
146.03671	3.1
149.05946	13.3
151.07520	83.8
152.06239	4.4
157.06480	15.5
161.06004	16.0
163.07497	23.8
165.06973	25.2
165.09169	3.4
166.07724	4.0
167.08534	30.8
169.06444	5.8
174.06772	6.0
178.07767	12.0
179.08566	3.2
181.06534	5.0
182.07204	3.4
189.09111	20.1
191.08531	3.6
193.06541	6.4
193.10107	14.1
195.08000	41.7
196.08792	3.5
197.05933	12.5
203.08560	3.9
209.06010	6.1
209.09573	3.5
210.06772	15.1
212.08305	3.2
221.05975	14.2
221.09616	18.6
223.07529	21.7
225.09088	14.6
227.10597	36.5
237.09267	4.1
238.06213	14.0
241.08652	3.3
253.08600	18.4
253.12239	19.6
255.10130	26.1
267.10138	3.8
269.08026	5.9
272.10587	3.8
281.11578	4.0
285.11154	19.2
287.12729	43.2
313.14288	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.7
66.03508	1.2
75.58230	1.5
79.05466	7.5
91.05460	42.4
92.09287	1.9
94.04163	5.7
95.04937	8.4
103.05446	8.2
105.07006	8.0
107.04932	7.5
109.06516	6.6
115.05429	5.2
117.07025	1.8
119.04926	26.6
120.59364	1.3
121.06441	8.2
122.03635	12.5
124.89400	1.3
127.59452	1.4
127.87005	1.2
128.06201	6.3
129.06984	22.9
131.04889	8.6
132.44424	1.2
133.06470	2.6
135.08031	10.3
136.05176	6.2
137.05963	100.0
145.06464	5.0
148.05173	2.4
149.05977	7.5
150.06752	1.8
151.03883	5.3
151.07526	85.2
152.06187	7.8
157.06451	13.3
161.05978	15.2
161.09531	2.8
162.06671	1.9
163.07521	16.2
165.06947	24.5
165.09079	5.0
166.07761	5.8
167.08528	31.4
169.06465	2.1
174.06732	6.6
175.07471	2.8
177.06924	3.2
177.09027	1.5
178.07767	14.1
179.08513	1.5
181.06430	8.8
182.07272	6.8
183.07983	3.1
189.09062	23.0
192.09308	3.1
193.06444	13.3
193.10081	12.7
194.07265	5.9
195.08022	40.3
197.05983	8.4
202.07686	1.8
203.08455	2.2
205.06407	2.4
206.07176	1.9
207.10126	1.7
209.05937	5.8
209.09601	5.3
210.06726	14.2
211.07523	6.3
212.08365	6.8
219.07999	2.0
220.08672	1.8
221.06038	14.3
221.09570	17.4
223.07576	14.3
224.08301	8.4
225.05479	1.9
225.09045	15.6
227.07069	1.6
227.10620	36.3
235.07491	1.9
237.05312	1.6
237.08998	5.4
238.06233	12.1
238.09767	1.6
239.07011	2.9
240.07904	2.1
241.08519	2.5
249.09142	6.6
252.07892	2.5
253.08559	17.0
253.12239	17.8
255.06415	5.2
255.10123	23.5
267.10110	7.1
269.08063	7.2
270.08908	2.7
272.10352	2.3
281.11667	3.2
284.10413	1.8
285.11212	17.9
287.12692	40.1
287.15698	2.3
298.11917	1.9
301.14218	1.5
313.14322	11.2
331.15256	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12202	1.1
70.06574	2.8
79.05478	6.0
81.07053	1.9
86.09698	1.7
91.05455	41.7
91.57931	1.2
94.04166	2.1
95.04949	7.8
103.05443	12.5
105.07019	7.4
107.04948	14.3
109.06503	3.1
115.05428	2.5
119.04930	22.7
120.08092	1.4
121.06483	9.1
122.03645	11.6
128.06192	7.1
129.06981	21.2
131.04933	13.0
131.08478	1.6
133.06496	2.2
135.08009	9.8
136.05231	4.9
137.05957	100.0
145.06450	2.2
146.07295	1.7
147.04405	2.2
149.06003	10.6
150.06755	2.2
151.03944	5.3
151.07524	64.3
152.06206	4.6
153.07018	1.5
157.06485	13.6
159.08052	1.3
160.05293	1.4
161.05946	23.1
161.09532	2.1
162.06862	1.6
163.07509	48.0
165.06990	16.4
165.09096	2.4
166.07820	2.9
167.08530	26.5
169.95810	1.4
174.06752	7.8
175.07487	1.6
176.06291	1.6
177.06995	1.5
178.07791	9.0
181.06488	3.2
181.10257	1.2
182.07326	2.9
182.50191	1.2
189.09064	22.5
192.09454	2.2
193.06497	7.6
193.10078	9.9
194.07224	1.7
195.08015	29.9
196.08775	1.9
197.05998	6.1
202.07718	1.8
206.07172	2.8
207.10191	8.2
209.05968	2.1
209.09593	2.1
210.06667	14.9
211.07596	5.3
212.08321	6.1
213.09198	1.6
221.05888	9.6
221.09550	12.4
222.06819	1.7
223.07462	10.1
224.08278	5.9
225.05376	1.8
225.08969	10.7
227.07031	3.0
227.10626	26.7
237.09004	2.5
238.06241	8.1
239.07051	5.4
240.07820	5.6
249.09065	5.4
251.07011	1.6
252.07817	2.3
253.08589	15.3
253.12244	12.7
255.10114	20.5
267.10181	5.8
269.08054	5.3
270.08826	2.0
272.10446	2.7
281.11618	2.9
285.11172	14.0
287.12735	29.2
298.11731	1.6
313.14264	11.6
331.15790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38589	1.1
53.48175	1.1
65.03934	1.6
65.98694	1.1
67.05490	2.0
70.94273	1.1
79.05460	2.7
81.07053	2.9
91.05459	34.1
93.06995	1.4
94.04153	2.1
95.04942	5.8
103.05444	6.1
105.07000	6.0
107.04925	9.0
109.06496	5.9
111.04411	1.4
119.04910	22.0
121.06471	7.5
122.03628	12.3
126.34238	1.4
128.06206	6.2
129.06998	16.7
131.04922	8.1
135.08020	8.1
136.05168	3.0
136.92227	1.5
137.05957	100.0
145.06526	2.1
145.90355	1.3
149.05981	13.6
150.06697	1.4
151.03822	2.7
151.07512	55.1
152.06145	5.2
153.06940	2.6
157.06474	10.6
159.07951	2.5
161.05960	14.9
161.09610	2.1
163.07494	14.1
165.01816	3.0
165.06967	21.5
165.09111	2.6
166.07724	7.5
167.08525	26.8
169.06351	2.4
174.06737	8.6
175.07466	2.0
177.06952	3.1
178.07745	10.3
179.08417	1.9
181.06441	5.7
182.07256	6.0
183.02797	2.3
189.09093	22.4
192.09352	1.7
193.06441	11.8
193.10149	9.5
194.07237	7.8
195.08040	33.1
197.05998	8.4
199.07562	1.7
205.06462	2.5
206.07315	1.4
209.05862	2.5
209.09651	5.2
210.06667	12.0
211.07506	2.4
212.08322	5.8
219.07965	2.1
221.05936	10.2
221.09587	13.3
223.07571	12.6
224.08328	5.3
225.09044	10.1
227.07063	3.2
227.10606	30.0
237.09038	2.4
238.06200	7.4
238.09686	1.8
239.06958	2.7
240.07745	2.7
249.08997	5.7
252.07819	2.2
252.95055	1.6
253.08498	14.9
253.12106	10.0
255.10065	23.7
267.10068	5.8
269.08096	6.9
281.11578	2.3
285.11261	13.2
287.12744	31.4
313.14316	14.4
329.20117	1.7
331.15289	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76937	1.2
55.01866	1.9
64.18955	1.4
65.03905	1.6
67.07682	1.2
69.03351	1.3
75.34002	1.7
77.80481	1.4
79.05468	7.0
84.08282	1.6
91.05459	46.5
92.08618	3.0
94.04153	3.7
95.04932	9.2
103.05478	10.2
105.07021	10.2
107.04911	10.5
109.06509	5.9
117.06989	2.0
118.57783	1.6
119.04925	28.7
121.06487	5.9
122.03633	11.7
128.06212	7.9
129.06963	22.7
131.04897	9.2
133.06430	3.0
135.08040	7.4
136.05144	8.1
137.05957	100.0
137.55283	1.8
145.06461	2.9
146.03613	1.8
149.05946	10.3
150.06693	1.8
151.03923	6.0
151.07516	85.0
152.06190	7.6
153.07108	1.7
157.06427	15.1
161.05946	17.0
161.09601	2.3
163.07515	20.8
165.06927	20.6
165.09087	5.7
166.07811	2.1
167.08524	33.8
174.06744	8.7
175.07448	6.2
177.06958	2.6
178.07721	10.7
179.08566	3.0
181.06474	9.8
181.10019	1.8
182.07246	5.7
189.09073	26.5
191.08583	2.0
192.09338	3.1
193.06479	15.1
193.08321	1.5
193.10031	14.2
194.07266	7.7
195.08011	41.6
196.08743	2.7
197.05916	11.0
202.07787	2.5
203.08597	1.8
207.08208	2.3
207.10054	2.4
209.05920	2.5
209.09641	6.6
210.06688	18.8
211.07483	7.2
212.08299	7.9
213.09108	1.6
220.08817	2.0
221.05954	12.1
221.09529	15.2
223.07510	13.4
224.08345	7.5
225.05537	2.5
225.09062	15.7
227.07051	4.3
227.10619	44.7
237.08983	2.2
238.06216	9.9
238.09743	2.6
240.07881	5.6
241.08664	2.2
249.09087	10.0
252.07759	2.3
253.08539	20.4
253.12234	17.5
255.06444	1.7
255.07222	2.0
255.10056	29.7
267.10095	8.2
269.07974	8.4
270.08768	2.6
272.10364	8.3
281.11581	2.9
285.08466	1.8
285.11157	16.4
287.12708	48.3
287.15732	2.9
295.56665	1.3
302.33582	1.5
313.14310	12.4
331.15652	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1172
Annotation	Ficusal
Peak:m/z	Relative Intensity
55.01861	1.4
56.96542	2.2
58.44326	1.3
67.05476	2.2
69.07059	1.5
71.04961	1.5
72.81327	1.2
76.56173	1.4
79.05476	5.5
81.03419	2.0
81.07027	3.2
85.02868	1.4
91.05457	14.0
93.07018	2.7
94.04158	2.4
95.04943	7.5
95.08578	3.4
97.06535	2.4
102.04698	1.5
103.05439	14.6
105.07013	9.9
107.04982	1.7
109.06484	2.2
111.04437	1.5
115.05394	1.4
116.98596	2.1
117.39190	1.3
119.04913	3.5
121.06485	7.0
122.03621	9.6
128.57889	1.5
129.06985	3.0
131.04912	17.1
131.08495	1.6
133.93297	1.3
135.04453	1.9
135.08044	2.1
137.05956	100.0
138.06390	1.5
146.03641	7.0
147.04451	1.7
149.05949	7.1
151.03886	10.5
151.04968	1.9
151.07483	12.4
152.06178	2.6
153.06963	10.3
154.07784	1.7
157.06473	1.8
161.04703	2.7
161.05945	35.9
162.06628	1.6
163.07529	11.0
165.06947	32.3
167.08574	6.7
181.04938	3.7
181.06471	18.6
181.27397	1.6
182.07195	13.1
189.05479	7.3
189.09052	2.8
193.06459	30.0
193.10223	1.5
194.07233	7.2
195.08009	7.4
196.08623	1.6
207.08122	1.6
209.05960	3.5
210.06723	30.7
211.07608	6.4
213.09116	6.4
220.05197	3.2
221.05942	36.4
222.06703	3.0
223.07532	5.9
224.08244	3.2
225.09064	41.5
227.06929	3.1
227.10620	7.4
234.06638	1.7
235.07536	6.0
237.05437	2.6
238.06221	18.9
239.06979	9.3
241.08589	6.7
248.04578	2.2
249.05301	3.0
250.06325	1.8
250.09576	1.9
251.06744	1.8
252.07756	2.5
253.08521	63.2
254.09358	3.3
255.06442	2.4
255.10144	2.3
257.11432	1.5
257.42233	1.5
263.06949	8.9
266.05774	6.7
267.06650	1.8
269.08124	6.3
270.08746	3.3
281.07996	20.3
285.11108	26.6
287.12781	3.2
295.09561	2.8
298.08429	6.6
301.10696	3.4
313.10599	65.7
313.13464	2.9
331.11768	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.5
55.05505	61.0
56.29256	3.4
57.03427	6.4
57.07052	4.7
57.81583	2.8
67.05494	70.1
68.81505	2.9
69.03404	4.1
69.07058	43.9
71.04968	7.6
71.08611	15.6
79.05470	72.9
81.03399	2.9
81.07037	100.0
83.04962	36.9
83.08614	17.5
84.14402	2.8
85.06548	6.8
88.04829	3.0
91.05465	38.4
93.07023	76.9
95.04948	14.7
95.08582	53.4
97.06518	18.9
97.10150	3.4
99.08084	6.4
105.07014	28.7
107.08565	33.4
109.10154	7.8
111.08041	5.2
111.60792	3.3
117.07011	12.8
119.08576	17.7
121.10136	17.5
123.11683	3.4
125.09573	4.5
129.06998	5.4
131.08563	15.2
133.10104	25.2
135.11653	14.8
139.11156	27.3
143.08646	3.4
147.11705	16.5
149.13242	12.2
151.11209	5.7
159.11652	14.4
161.13174	5.3
165.12680	3.4
177.12764	4.2
193.12253	4.0
195.13811	30.0
213.72871	3.3
277.21588	40.7
295.22675	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01865	10.7
55.05507	51.3
57.03432	10.4
57.07066	10.9
65.03920	1.5
67.05495	85.3
69.03437	4.5
69.07056	36.2
70.37205	1.1
71.04970	8.6
71.08612	12.7
73.13598	1.2
76.04847	1.2
79.05476	58.6
81.03386	5.1
81.07040	100.0
83.04969	28.0
83.08606	28.2
85.06529	5.7
91.05462	47.0
93.07025	88.7
95.04950	15.6
95.08017	1.7
95.08595	46.5
97.06522	14.3
97.10142	8.1
99.08076	5.4
105.07017	33.2
106.07370	1.6
107.04955	2.1
107.08578	37.9
109.06499	6.8
109.10142	12.8
111.08047	10.0
115.05454	2.2
117.06997	14.1
119.08568	19.7
121.06554	1.7
121.10115	26.6
123.08059	2.2
123.11679	5.6
125.09627	2.6
129.06990	6.6
131.08533	15.8
131.85500	1.3
133.06454	2.9
133.10103	21.5
134.06781	4.9
135.08023	2.5
135.11685	21.5
137.05968	6.5
137.09628	1.4
138.06322	2.6
139.11160	27.6
143.08534	2.2
145.10118	1.6
147.11670	8.9
149.13234	29.3
151.11174	8.1
157.10103	5.7
159.11638	15.7
161.13219	2.9
163.11119	2.2
165.09070	3.1
165.12785	2.5
166.09386	2.7
175.11185	2.9
175.14835	2.6
177.12674	10.2
192.62889	1.3
193.12186	5.5
195.13774	36.2
212.16461	1.9
213.14862	5.5
219.31863	1.5
236.61476	1.6
259.20636	3.0
277.21609	24.0
294.24197	1.6
295.22708	11.1
330.33481	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3364
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
52.56134	0.3
54.81626	0.3
57.07067	11.5
58.06586	0.7
58.84934	0.2
62.06058	0.4
70.06577	17.8
70.06957	0.6
71.08614	5.0
80.97151	0.3
82.90224	0.3
85.10173	2.6
86.06010	0.3
88.07614	20.7
92.09290	0.4
102.09155	5.2
106.08657	10.7
157.48332	0.3
286.30984	1.3
301.44843	0.3
312.32538	8.8
330.33591	100.0
331.34033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Dillenetin
Peak:m/z	Relative Intensity
55.05484	2.2
57.30641	1.6
57.65740	1.6
67.05486	2.5
68.53925	1.5
69.07047	3.3
79.05450	6.7
81.07024	2.2
82.62203	1.6
91.05470	3.1
93.06982	1.7
95.08591	2.1
103.05453	1.8
103.92569	1.8
105.07038	5.3
109.06440	1.9
110.73825	1.9
121.06453	2.7
123.95785	1.8
129.07016	1.9
131.04913	1.7
133.06491	3.0
135.04451	2.2
137.05969	16.6
145.06329	1.8
149.05922	3.0
151.07497	6.9
153.05421	4.0
163.07484	3.9
165.07010	2.3
165.09070	4.3
176.74423	1.7
181.08582	2.8
189.09047	2.4
211.07539	2.3
227.10532	20.4
235.11174	2.0
238.06409	1.8
238.09431	2.2
242.05762	7.0
248.08022	2.4
253.08517	7.1
258.05222	9.1
263.10519	2.7
267.10037	2.2
270.05197	16.3
273.03903	3.3
281.11621	8.6
285.11084	7.3
286.04620	2.9
287.05353	10.9
287.12744	2.3
302.04144	8.6
313.14331	4.3
315.04919	93.8
316.05704	8.9
331.08051	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01862	7.7
55.05503	81.2
56.05019	1.0
57.03423	1.3
57.07058	1.6
59.04964	1.5
60.05212	0.7
64.33029	0.9
67.05143	1.3
67.05490	28.8
69.03400	9.9
69.07053	15.4
71.08614	13.4
79.05470	22.1
81.03399	4.2
81.07037	30.4
83.04954	5.7
83.08601	58.3
85.06515	1.3
91.05455	7.4
93.07023	14.3
95.04945	1.7
95.08579	6.8
97.06484	1.2
97.10145	100.0
99.08054	5.5
101.09652	1.1
105.07021	5.6
105.75751	0.9
107.04947	1.1
107.08572	29.8
109.06490	1.2
109.10118	4.9
111.08057	3.6
117.07009	1.3
119.08551	3.5
121.10113	1.6
125.09604	73.8
126.12755	1.6
133.10083	4.3
135.08022	6.9
135.11650	4.5
137.05942	9.1
143.10667	3.9
147.11641	3.4
149.13278	0.9
151.11168	7.5
153.09085	5.3
161.13206	4.3
163.11086	1.0
167.05644	1.1
168.14404	0.9
171.10129	4.3
179.14229	1.6
189.11180	73.9
193.15720	1.1
259.20380	0.9
272.10431	1.6
277.21536	41.2
295.22659	16.6
313.14172	1.3
330.17288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.5
53.03937	4.1
55.01870	13.0
55.05508	63.2
57.03430	20.3
57.07070	11.4
67.05495	87.0
69.03421	11.8
69.07059	45.6
70.39105	1.1
71.04985	11.9
71.08614	10.4
75.40234	0.9
77.03886	1.4
79.05478	57.6
81.03403	6.4
81.07043	100.0
83.04971	33.5
83.08604	22.0
85.06535	7.9
88.07616	1.8
91.05463	43.6
91.06008	2.1
93.07027	81.3
95.04945	18.1
95.08588	60.0
97.06515	21.1
97.10146	9.0
99.08051	5.7
100.11270	1.4
105.04475	1.2
105.07023	31.3
107.04940	2.9
107.08582	35.3
109.06499	8.3
109.10159	13.8
111.08083	2.7
113.06108	1.2
117.07005	12.0
119.08554	16.5
121.06500	1.8
121.10135	19.6
123.08025	5.5
123.11697	6.6
125.09631	5.8
129.06995	6.1
131.08533	11.7
133.10091	20.5
135.08066	2.5
135.11662	20.1
137.06041	1.1
137.09560	2.3
138.18138	1.2
139.11172	23.0
145.10124	2.5
147.08046	1.4
147.11710	9.3
149.09560	1.2
149.13248	17.1
151.11195	4.8
157.10127	2.5
159.11649	14.4
161.13246	7.7
163.11095	1.4
163.14804	2.4
165.12724	2.5
171.11601	2.0
175.14845	2.1
177.12726	7.0
179.14317	2.3
189.11235	1.4
193.12247	4.5
195.13786	37.5
207.13808	1.6
236.61026	1.1
241.19447	2.5
249.22034	2.2
259.20572	2.6
277.21603	36.6
295.22623	30.5
330.17697	1.5
330.33676	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01863	9.3
55.05508	48.4
57.03429	6.9
57.07068	2.8
67.05494	58.3
69.03412	2.1
69.07057	39.6
71.04982	3.0
79.05477	58.4
81.03413	2.2
81.07040	81.7
83.04988	3.9
83.08614	30.1
85.06541	4.0
91.05469	46.2
93.07029	88.0
95.04967	9.8
95.08590	53.9
97.06530	17.1
97.10134	3.8
98.21828	1.9
99.08099	2.6
105.07020	33.4
107.08588	46.9
109.06519	3.9
109.10137	19.7
109.14753	1.7
111.08076	8.7
117.07023	3.2
117.40986	1.7
119.08550	27.0
121.06534	2.2
121.10123	29.8
123.08039	7.3
123.11723	3.5
125.09608	3.0
129.09120	2.4
131.08557	11.4
133.10114	20.5
134.99657	2.3
135.11691	30.0
135.35384	1.7
137.05992	17.0
137.09612	2.6
137.62242	1.7
143.08514	3.1
145.10146	8.2
147.11691	27.7
149.09605	2.9
149.13242	19.0
151.11234	2.4
157.10129	3.8
159.11687	3.5
161.13297	13.0
163.11180	2.3
163.14781	2.9
165.12720	4.2
171.11620	3.8
173.13377	2.2
175.11163	2.5
189.12683	6.9
195.13826	3.4
207.13843	7.0
241.19360	2.8
259.20505	7.2
262.59848	1.9
269.79480	1.6
272.10266	2.3
277.21582	100.0
292.78061	1.8
295.22604	17.5
320.94577	2.2
330.17676	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	330.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62090	1.5
52.07603	1.3
53.00283	1.7
53.03928	3.2
54.81380	1.6
55.01873	13.5
55.05505	100.0
56.05646	1.2
56.05840	20.3
56.69493	1.3
57.03430	11.4
57.07072	2.8
58.03736	1.5
59.04994	2.0
59.88370	1.6
60.04517	17.1
67.05490	50.8
68.05817	10.1
69.03407	10.1
69.07050	26.4
70.03730	2.6
70.07384	2.1
71.04964	8.9
71.08607	12.9
72.08121	1.8
72.08960	1.9
73.06535	1.8
79.05476	42.6
80.05818	11.5
81.03398	56.9
81.07038	49.4
82.03727	15.0
82.07370	17.3
83.04968	33.4
83.08606	53.7
84.05290	6.7
84.08938	16.1
85.02876	3.7
85.06505	6.1
91.05456	29.3
92.05793	9.8
93.07015	27.8
94.07352	8.4
95.04945	40.0
95.08593	22.4
96.05293	15.0
96.08920	7.3
97.02866	1.7
97.06483	3.3
97.10157	38.6
98.06815	2.8
98.10526	14.0
99.08068	10.4
105.07014	20.9
106.07341	8.7
107.04944	9.4
107.08569	25.5
108.08916	9.0
109.06483	8.3
109.10136	14.1
110.10470	3.4
111.04422	9.0
111.08070	8.6
117.07036	2.3
119.08550	15.9
120.08866	6.0
121.06459	3.8
121.10097	7.9
122.10443	3.2
123.08047	1.7
125.09600	19.1
126.09927	6.6
129.07022	6.4
130.07310	2.7
131.08554	10.4
132.08833	5.8
133.06453	2.4
133.10088	7.6
134.10428	7.8
135.08052	3.6
135.11691	2.7
136.12044	1.9
137.05910	2.1
137.09596	1.8
139.35735	1.7
143.08366	1.5
145.10104	3.2
146.10454	3.2
147.08057	2.5
147.11691	9.7
148.11972	2.9
149.09576	9.2
150.09926	2.1
153.09056	3.8
154.09512	1.6
157.10110	6.0
158.10429	4.0
163.11165	12.1
164.11516	11.2
166.12936	1.9
175.11169	6.4
176.11469	7.1
189.11172	10.1
190.11494	8.7
193.12196	17.8
194.12541	18.3
195.13683	2.2
211.13258	29.1
212.13583	30.6
224.13620	2.0
248.20743	1.8
276.20343	11.9
293.21042	22.2
294.17999	2.8
294.21387	85.0
311.22141	2.6
312.22452	10.6
323.25583	2.0
330.17450	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	330.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13914	0.9
69.03371	1.3
76.17773	0.9
79.05467	2.2
85.02899	7.5
98.97548	1.9
105.07021	38.0
108.04475	2.5
115.05414	1.4
117.31254	1.0
129.49940	1.0
131.04881	1.4
132.04407	9.1
133.04774	8.6
133.06474	100.0
136.03923	14.8
137.05986	1.6
139.03893	1.4
140.58276	1.0
158.99500	1.0
167.03368	4.0
168.03758	1.4
168.06508	2.3
172.77782	1.2
280.69312	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31866	0.3
55.01863	1.4
56.96568	0.4
57.03409	0.3
63.86459	0.3
69.03405	2.1
70.06578	1.4
79.05483	1.8
81.03400	0.3
84.04491	0.5
84.08157	0.3
85.02887	3.9
85.59850	0.4
86.09697	0.7
91.05450	0.8
95.04945	0.4
96.04427	0.3
97.02859	1.7
98.97562	0.7
100.11235	0.7
103.05436	1.7
105.07016	30.9
107.04939	2.0
115.05434	1.9
116.07054	0.4
116.98603	0.8
130.01657	0.3
133.06470	100.0
134.06845	0.5
137.05936	0.5
141.10217	0.5
147.04373	0.8
151.07579	0.4
237.02774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.232
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.53843	1.3
53.03942	2.7
54.09048	1.5
55.01862	4.0
55.05313	1.2
55.05512	22.0
57.03424	6.8
57.07072	22.3
59.38326	1.3
59.78685	1.4
64.33206	1.6
67.05147	3.1
67.05495	76.3
69.03411	2.1
69.07061	37.8
71.04978	17.4
79.05481	28.7
81.03395	4.0
81.07043	78.7
83.04970	12.2
83.08616	6.7
84.08144	11.9
85.02876	11.0
85.06529	6.9
85.10160	35.7
91.05463	28.1
93.07026	32.0
95.04951	9.7
95.08587	87.5
97.06526	16.6
97.10146	1.4
97.46637	1.4
99.04433	2.4
105.07011	26.6
107.08576	32.6
109.06517	7.1
109.10146	72.6
113.00505	1.5
113.06014	3.3
113.09628	31.0
117.07022	2.5
119.08573	14.6
119.09316	1.5
121.06517	1.8
121.10103	3.7
123.08106	2.6
123.11652	11.5
127.07494	2.3
131.08495	5.6
133.10109	44.7
135.11679	11.2
137.09607	3.8
141.12720	3.5
145.10159	3.9
151.11177	21.6
165.12724	9.4
169.12216	48.3
215.50970	1.8
230.63411	1.6
232.66002	1.6
247.20532	10.2
265.21591	100.0
283.22635	41.0
311.22098	19.5
329.17255	10.7
329.22479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2319
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03927	2.3
53.32544	1.9
54.81716	2.0
55.01860	15.6
55.05505	100.0
55.32372	1.5
57.03421	9.1
57.07050	2.4
57.27232	1.6
57.89346	1.5
60.03348	1.6
65.03925	2.1
65.21484	1.7
66.50951	1.8
67.05490	50.3
68.88865	1.9
69.03403	11.5
69.07053	23.3
69.41811	1.8
71.04961	4.5
71.08627	14.1
77.85243	1.7
79.05466	49.3
81.03395	66.2
81.06593	3.6
81.07037	61.2
82.58472	2.0
83.04967	38.6
83.08604	69.2
85.02872	4.4
85.06503	2.3
91.04957	2.5
91.05458	31.1
93.07024	29.8
95.04949	51.4
95.08594	17.7
97.02878	2.5
97.06489	10.5
97.10152	52.2
99.08065	11.7
101.09544	1.9
105.07013	25.6
107.04919	10.4
107.08593	30.2
109.06490	8.6
109.10146	11.0
111.04422	8.0
111.08052	12.2
114.36747	1.8
117.06978	4.4
119.08574	20.6
121.06468	9.5
121.10104	10.0
122.00874	1.8
123.08028	3.0
125.09580	31.7
129.06975	8.6
131.08553	16.3
133.10086	9.6
135.07938	3.6
145.10077	11.3
147.11636	11.0
149.09581	9.9
151.11107	2.1
153.09085	8.6
157.10077	8.1
163.11168	17.3
165.12807	3.1
175.11162	8.7
177.12747	2.5
188.44246	1.9
189.11209	11.8
193.12230	30.4
195.13745	7.6
211.13275	56.5
223.13263	4.2
275.19907	15.3
293.21072	89.8
311.22211	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	329.2319
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.80655	0.7
53.03933	1.3
55.01871	14.2
55.05505	92.3
57.03422	3.5
57.07071	1.5
59.04973	1.7
65.03920	1.3
67.05491	30.5
69.03415	6.9
69.07052	15.9
71.04961	2.0
71.08611	13.9
78.05141	0.9
79.05477	35.2
81.03401	18.4
81.06551	0.8
81.07037	40.3
83.04961	19.7
83.08600	50.6
85.02882	1.9
85.06525	2.1
91.05463	17.0
93.07023	23.4
95.04330	1.1
95.04947	42.3
95.08599	14.1
97.06519	9.2
97.10147	51.2
99.04413	1.6
99.08077	10.1
101.09670	1.1
103.05437	1.8
105.07013	15.3
107.04925	6.7
107.08576	26.7
109.06483	7.7
109.10164	7.4
111.04407	12.7
111.08080	8.0
115.50627	0.9
117.06987	5.2
119.08545	11.1
121.06483	5.8
121.10123	8.2
123.08049	3.8
123.11657	1.8
125.09607	32.4
129.06975	2.0
130.07758	1.0
131.04965	1.0
131.08559	7.8
133.06436	3.5
133.10103	6.0
135.04385	1.0
135.08067	6.3
135.11707	8.3
137.05936	11.5
137.09550	1.5
139.11192	1.8
143.08611	1.1
145.10115	10.4
147.08005	2.0
147.11670	3.6
149.05962	4.1
149.09583	8.6
153.09081	13.1
153.12715	1.8
157.10060	2.1
159.11665	2.0
161.13261	0.9
163.11130	27.7
165.09140	1.2
165.12752	3.9
167.10648	1.5
167.85930	1.0
169.10039	1.2
173.13277	1.3
175.11125	3.7
177.05403	1.9
177.12801	1.4
180.52542	0.9
180.81831	0.8
181.12222	1.5
184.05144	1.0
187.11162	1.6
189.11218	14.8
193.12157	6.7
195.13766	10.0
196.07344	1.4
205.12212	1.7
211.13275	4.8
223.13243	6.4
247.20586	1.3
249.22104	1.2
265.21613	1.6
275.20041	15.4
293.21066	100.0
311.22177	29.5
329.13766	9.0
344.66125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2319
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.00290	4.0
53.03935	2.0
54.81709	2.0
55.01871	25.9
55.05505	85.0
57.03413	9.0
57.07055	12.0
59.04955	2.1
65.03946	1.6
67.05492	99.5
69.03407	16.5
69.07052	47.5
71.04963	12.9
71.08615	77.6
79.05476	75.5
81.07037	100.0
83.04956	24.2
83.08603	46.3
85.06522	7.7
85.10163	7.8
87.04455	13.5
90.59380	1.7
91.05463	49.0
93.07021	80.5
95.04936	14.5
95.08586	76.1
97.06503	36.4
97.10135	8.0
99.04406	1.8
99.08067	46.4
101.05986	2.6
105.07008	32.4
107.08566	35.6
109.06462	3.4
109.10152	24.2
111.08066	21.1
113.05942	1.9
113.09606	10.0
117.06991	11.6
119.08555	18.7
121.10120	34.9
122.10472	2.0
123.11676	2.2
125.09613	4.2
127.11115	3.5
131.08586	18.0
133.10110	21.2
135.08020	3.1
135.11658	28.9
137.05978	3.4
137.09619	2.2
137.13225	11.5
139.11128	10.0
145.10074	15.2
147.11642	12.5
149.13269	13.9
151.11169	3.4
153.12697	10.5
159.11664	10.6
163.14787	2.6
165.12715	7.8
167.14268	3.2
173.13181	3.1
181.12285	1.9
183.13881	2.7
202.11467	1.8
229.19456	11.9
247.20511	17.3
265.21582	84.6
283.22455	10.0
293.21021	2.6
311.16534	2.2
311.22107	34.7
329.17126	2.1
335.68277	2.1
340.44839	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1745
Annotation	CHEMBL595314
Peak:m/z	Relative Intensity
50.96227	0.4
51.88516	0.4
53.03946	0.6
55.01863	4.1
55.05504	3.1
56.04513	0.4
57.74663	0.4
60.56585	0.4
65.03921	0.9
67.05502	2.7
67.10480	0.5
69.07058	2.1
71.05006	0.4
79.05053	0.8
79.05475	14.2
81.07026	3.9
82.07390	0.5
83.04958	0.6
83.08617	2.4
85.39730	0.5
91.05455	6.2
93.07045	3.2
94.04193	1.0
95.04951	5.0
95.08607	2.5
98.98529	0.5
103.05434	8.3
105.07011	79.0
106.07288	0.5
107.04954	3.7
107.08567	2.5
109.06480	5.8
109.10125	0.9
111.04469	0.9
111.08044	0.7
115.05394	0.7
117.07011	1.8
119.08591	1.1
119.31110	0.5
121.06503	2.1
121.10128	1.8
122.03602	4.3
124.05181	3.6
129.06912	0.5
131.04880	1.0
131.08589	1.6
133.06464	59.7
133.10059	1.0
134.10460	0.6
135.08012	3.4
135.11763	0.5
136.08409	0.6
137.05957	100.0
137.59735	0.5
145.06494	1.0
145.10071	3.4
149.09619	2.4
150.06750	2.0
151.07513	2.1
159.11638	0.6
163.11191	0.9
164.11514	0.7
165.09079	93.1
170.84770	0.5
173.09578	1.1
173.43794	0.5
177.08806	0.6
190.09872	2.7
191.10619	0.6
192.10954	0.5
205.12238	0.8
217.54047	0.6
223.13292	0.7
273.88861	0.5
275.19891	1.2
276.20520	3.8
293.20898	1.8
294.21399	0.7
329.26785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1745
Annotation	Crotonkinensin A
Peak:m/z	Relative Intensity
55.05500	0.8
67.05495	1.8
69.55860	0.5
79.05473	2.0
81.03420	0.5
81.07053	1.2
83.63910	0.5
91.05451	2.2
95.04951	0.6
95.08585	1.0
97.06501	2.2
98.98445	0.7
103.05460	0.7
105.07006	2.3
107.08534	0.6
110.23546	0.5
112.23100	0.4
121.10133	0.9
122.47289	0.5
123.04405	0.6
131.08563	0.6
133.06450	0.7
135.04387	0.8
137.05952	3.8
141.06902	0.7
143.08569	1.2
149.05997	0.8
149.44760	0.6
156.09311	0.7
158.07253	3.0
159.08058	2.6
159.47032	0.6
161.05968	0.9
165.07039	0.7
165.09119	0.7
166.07736	0.6
166.30849	0.5
166.32164	0.5
169.06395	0.6
171.07990	4.1
184.08885	3.8
187.07486	4.9
191.08447	0.5
199.07535	3.2
199.11140	4.8
207.11697	0.7
208.08932	0.5
209.09644	1.1
211.11200	0.7
212.08272	0.8
213.08990	0.8
215.10677	0.9
223.07349	0.6
225.09056	1.1
227.10640	100.0
235.11130	2.7
236.12007	0.6
237.09235	0.6
238.09935	0.7
250.13391	0.9
251.10539	1.9
251.14532	0.7
253.12177	1.9
263.10635	4.5
264.11487	0.6
265.12213	2.2
265.15814	1.2
275.14484	0.8
277.12155	3.3
278.12973	13.1
293.15314	33.0
311.13089	0.9
311.16339	22.9
311.19919	0.7
329.13940	0.8
329.17416	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	329.1744
Annotation	CHEBI:70701
Peak:m/z	Relative Intensity
53.00300	0.9
53.03936	0.6
55.01860	1.2
55.05490	3.1
57.03420	1.0
57.07042	0.9
59.04959	0.5
65.03918	1.0
67.05489	4.5
69.07050	2.9
70.05407	0.5
71.04976	0.8
78.20938	0.5
79.05480	6.9
80.98817	0.6
81.07038	4.8
83.04950	1.1
83.08580	0.6
84.07705	0.6
84.08137	7.0
85.02866	0.7
85.06516	0.7
85.10175	0.7
86.22923	0.5
90.55769	0.5
91.05463	9.9
92.48180	0.5
92.78123	0.5
93.07024	5.4
95.04945	4.4
95.08582	4.3
97.06501	4.2
103.05430	1.2
105.07001	9.0
107.04955	2.6
107.08571	2.6
108.02070	0.9
108.05704	5.5
109.06508	4.5
109.10171	2.3
111.04440	0.6
115.05378	0.9
117.06984	2.3
119.08577	2.6
121.06484	100.0
121.10105	0.8
123.07990	0.7
123.11713	0.6
129.06990	1.3
131.04927	0.8
131.08525	0.9
133.10100	2.6
134.08302	0.6
135.08006	3.0
137.05923	4.5
141.05432	1.1
141.06929	0.6
143.08598	0.9
145.06483	0.9
145.10075	1.0
149.09599	38.8
151.03896	35.2
151.05017	3.9
151.11157	1.2
153.06914	0.7
157.06444	0.7
161.06015	0.7
165.07004	0.9
167.08400	0.7
171.07921	0.6
175.07552	0.7
179.08546	0.6
183.08060	0.9
186.06767	0.6
187.07495	0.9
189.09120	0.6
191.07004	0.7
193.10219	1.0
195.07999	3.2
199.07494	1.2
201.09068	3.8
209.09502	2.2
211.07608	1.2
211.13274	0.9
213.09100	2.5
214.09729	0.6
215.10616	3.2
215.12721	0.6
219.11871	0.6
221.09557	3.2
222.06796	0.7
223.07648	0.9
227.10744	2.9
237.08997	0.8
238.09837	2.3
241.08517	0.7
243.10168	0.8
247.11130	1.1
251.10603	0.5
253.12195	2.8
255.10216	2.1
255.13727	1.2
264.11276	0.9
265.21625	0.9
269.11826	0.9
269.15314	1.0
279.13632	1.2
287.12729	3.7
297.14697	4.8
311.16434	1.1
329.17395	14.7
329.27737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26040	1.0
54.94500	1.0
55.01854	1.8
56.96558	1.1
67.05503	2.2
69.04539	1.5
72.08136	1.2
79.05475	6.2
81.07053	5.2
91.05462	8.7
93.07013	1.2
94.04161	4.9
95.04962	2.0
97.06487	1.9
103.05448	2.7
105.07019	13.2
107.04941	2.5
109.06515	7.3
115.05453	2.7
118.04155	1.2
121.06501	1.8
122.03618	16.9
125.50901	1.1
128.06226	1.7
129.06985	5.6
131.04910	2.5
133.06485	11.2
135.04474	1.5
137.05952	95.4
138.05986	1.2
144.05772	1.9
145.06461	2.0
149.05978	2.9
155.04887	6.7
155.05994	1.4
159.08023	6.1
161.05936	11.5
165.06984	6.0
172.05228	2.3
175.07581	2.7
179.08478	1.7
180.09390	1.3
187.07510	14.2
189.06993	10.7
189.08958	1.9
190.07732	45.3
191.08517	72.2
193.06561	1.2
202.07819	1.8
203.08517	5.0
205.06514	2.4
207.08055	8.6
208.08777	10.5
218.07224	27.8
219.08009	80.1
220.08762	9.5
221.05936	1.9
229.07632	1.8
233.09668	1.8
235.07501	10.8
236.08313	13.0
237.08931	1.7
247.07478	20.6
248.08244	2.2
251.10620	100.0
252.11067	1.4
253.08556	2.8
255.06493	1.4
261.09143	1.8
264.07733	8.6
265.08447	1.7
267.09363	1.6
279.10071	36.4
281.07932	2.0
296.10321	1.3
311.12759	19.3
329.12109	1.9
345.99579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1382
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
52.32007	1.0
53.03934	1.1
55.01862	1.9
62.72651	1.0
64.48637	0.9
71.04986	1.6
79.05456	6.1
81.07024	2.9
91.05452	6.9
94.04157	6.1
95.04956	2.7
98.98420	1.4
103.05444	4.7
105.07028	18.5
107.04922	2.1
109.06507	4.9
115.05458	4.1
116.06225	1.5
118.04138	1.6
121.06493	2.0
122.03609	21.4
128.06197	1.8
129.06973	6.8
131.04837	1.7
131.08554	1.6
133.06451	9.7
137.05954	100.0
140.28802	1.3
144.05702	2.6
146.03659	1.4
149.05911	4.7
155.04892	7.6
159.07994	5.0
161.05952	11.8
165.06970	5.6
165.09109	1.6
172.05095	2.1
174.75986	1.3
175.07545	1.8
179.08560	2.4
180.09377	1.7
187.07483	13.2
188.12762	1.2
189.06973	13.7
190.07753	57.4
191.08513	77.6
193.06570	1.4
201.06940	1.4
202.07761	6.8
203.08519	2.3
207.07996	9.0
208.08905	9.2
217.06378	1.6
218.07227	30.7
219.08017	88.9
220.08781	10.0
221.05957	1.6
225.08923	1.3
229.07600	2.0
231.08061	1.6
233.09532	2.5
235.07475	10.0
236.08264	19.4
237.08997	2.5
246.06845	1.9
247.07475	18.5
251.10606	99.1
253.08626	2.2
261.09131	5.2
264.07755	5.4
279.07278	1.8
279.10110	39.0
280.10809	2.1
281.08051	1.8
296.10269	5.1
311.12799	17.2
329.12485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.123
Annotation	Androsin
Peak:m/z	Relative Intensity
55.05486	1.1
56.99492	1.0
69.03416	2.3
73.02899	13.6
79.05499	1.2
84.08113	1.1
85.02892	6.3
91.05450	1.2
93.07062	1.5
95.04955	5.9
97.02874	2.4
98.97569	1.9
98.98463	1.7
107.04944	2.4
113.78587	1.3
116.50567	1.5
119.04903	2.1
121.02849	100.0
121.06493	21.1
125.06028	1.3
126.64738	1.1
149.05969	53.3
149.07086	2.3
167.07027	42.9
329.11996	6.1
351.59735	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1381
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
55.01862	1.3
55.05489	0.6
62.13308	0.3
65.03918	0.4
67.05497	2.1
69.03401	0.6
69.07044	1.2
79.05471	3.2
81.07016	1.7
86.38613	0.3
91.05473	5.7
93.07055	1.0
93.19081	0.3
94.04171	3.2
95.04939	1.8
95.08577	1.5
97.06498	2.2
103.05438	1.9
103.78350	0.3
105.07009	2.0
107.04935	2.5
107.08589	1.3
109.06487	0.7
115.05415	2.8
117.07030	3.1
119.04932	1.2
119.08601	0.4
121.06487	0.7
122.03621	9.5
123.04430	6.0
128.06160	0.5
129.06958	2.3
131.04895	1.7
131.08554	0.6
134.03607	0.6
135.04370	2.3
135.08043	1.4
137.05959	100.0
138.06325	0.4
141.06993	0.7
145.06482	1.9
147.04396	3.1
147.08046	1.2
149.06001	1.8
151.07507	1.2
152.06171	0.3
157.06543	1.1
159.07994	0.7
161.05954	1.5
163.07515	10.1
164.04584	0.4
169.06450	5.1
169.10051	0.3
170.07179	0.4
171.04306	0.3
173.05888	0.4
175.07536	3.6
181.06415	1.4
187.07481	1.3
189.09036	0.7
193.10124	0.4
197.05984	7.2
198.06810	0.6
199.07524	0.5
201.09097	0.4
207.04370	0.7
209.05957	0.7
210.06609	0.4
211.07481	0.4
213.08995	0.6
215.06905	1.4
215.10628	0.6
221.05965	0.6
223.07442	0.4
225.05429	5.3
225.09007	0.4
226.06252	1.5
227.06978	1.1
233.09644	0.4
238.06207	0.4
239.06859	0.4
240.07680	0.5
241.08521	0.4
243.06665	2.3
253.08542	0.6
255.06433	0.7
258.08820	18.8
270.08817	1.4
279.10257	1.1
283.09586	0.5
289.13763	0.3
299.12704	4.1
310.68958	0.3
311.12808	2.1
329.17548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.1
54.36459	1.0
55.01624	1.8
55.01867	29.5
55.05505	39.5
57.03419	5.2
57.07059	8.5
59.05000	1.2
62.72055	1.2
65.03928	1.5
67.05492	100.0
69.03413	5.0
69.06715	1.7
69.07056	30.5
71.04979	11.1
71.22987	1.0
74.17387	1.0
79.05478	42.3
81.03410	12.6
81.07038	83.9
83.04968	15.7
83.08604	15.8
85.02905	1.6
85.06528	9.2
90.52599	1.0
91.05460	59.6
92.05809	1.6
92.08646	1.1
93.07024	43.3
95.04947	21.7
95.08583	44.3
97.02861	1.7
97.06499	7.0
97.10158	1.9
99.04423	2.2
99.08085	2.3
103.05414	1.5
105.07014	67.6
107.04945	10.7
107.08575	52.0
109.06495	13.5
109.10143	81.1
111.04419	2.5
111.08073	1.6
113.05974	1.7
117.07010	9.0
119.08559	15.3
121.06444	5.4
121.10136	13.1
123.04388	2.1
123.08039	12.0
123.11674	16.5
125.09598	1.8
127.07524	2.3
128.06229	1.3
129.07007	1.5
131.08542	14.6
133.06447	1.2
133.10107	88.2
134.93506	1.1
135.08005	5.7
135.11682	8.2
137.09590	16.3
143.08502	1.6
145.10126	11.0
147.11664	6.3
149.09622	6.6
149.13242	2.2
151.11157	46.2
159.11685	4.5
161.09631	4.3
163.11127	9.2
165.09058	5.3
169.12212	15.6
173.09647	1.5
173.13213	2.0
175.11215	1.4
177.12761	2.8
179.10605	1.4
191.14244	1.9
195.13760	1.4
207.13870	1.4
209.11665	2.5
215.12778	5.7
229.19345	1.7
247.20543	5.9
257.18985	4.9
265.21600	1.4
275.19995	40.9
293.21027	37.8
345.91962	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.1
55.01859	6.6
55.05505	35.3
57.03420	7.2
57.07059	1.6
65.03934	1.6
67.05489	69.7
69.03419	10.9
69.06717	1.8
69.07056	31.5
71.04971	6.7
79.05476	63.1
80.22024	1.3
81.03410	5.7
81.07037	83.4
83.04974	10.6
83.08591	12.9
85.06561	4.0
91.05458	69.3
92.08701	2.4
93.07020	100.0
95.04939	19.7
95.08575	30.2
97.06510	8.7
97.10140	4.9
98.98467	2.4
103.05472	2.0
105.04538	1.6
105.07018	48.3
107.04923	5.7
107.08567	30.6
109.06493	8.5
109.10134	10.1
111.08033	5.7
117.07024	11.2
119.08559	33.7
121.06438	4.6
121.10104	19.0
123.08030	6.6
123.11691	7.1
125.09607	1.8
129.06960	2.2
131.08528	14.8
132.86560	1.4
133.10103	23.4
135.08014	2.8
135.11667	19.2
137.09599	2.8
143.08551	2.6
144.09293	1.3
145.10074	8.7
147.08041	1.2
147.11674	13.6
149.09552	6.5
149.13237	7.0
151.11131	1.3
153.09105	1.3
155.08524	1.6
157.10088	5.9
159.11685	5.6
163.11142	6.4
173.13254	1.8
175.11087	1.4
175.23782	1.5
181.12213	7.9
183.11852	1.3
195.13811	6.1
233.44495	1.6
235.16895	11.4
239.17722	1.6
251.16460	2.8
257.18909	2.5
275.19992	26.6
293.21060	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	328.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47928	0.6
55.05508	10.3
56.63601	0.6
57.03410	0.9
57.07060	1.7
59.54301	0.7
62.22617	0.7
67.05499	7.1
69.07058	9.8
70.06578	10.1
71.04975	0.8
79.05466	4.0
81.07056	7.6
82.10622	0.8
83.04964	0.7
83.08598	3.9
88.07627	7.6
91.05474	13.6
92.08739	1.0
93.07034	2.8
93.74361	0.7
95.04949	1.6
95.08586	5.4
96.08879	1.0
97.10125	1.4
102.09151	1.7
103.05457	1.2
105.06999	2.7
106.08643	3.4
107.04975	1.3
107.08558	0.8
109.06477	0.7
109.10145	1.3
115.05434	1.6
116.06232	2.7
119.08538	1.0
121.06481	3.3
122.03623	1.4
128.51692	0.6
129.06993	5.0
130.07762	1.1
131.04906	4.0
131.08548	26.7
133.06459	1.4
135.04398	17.0
135.08118	0.7
137.05963	37.7
141.06941	1.3
143.04922	1.6
144.05692	4.7
149.05978	23.9
150.06749	15.5
157.06425	1.0
157.26488	0.8
158.07214	1.4
159.08025	10.6
161.05986	6.2
162.06798	1.6
165.09123	0.7
176.08299	15.1
190.09851	1.2
191.10640	100.0
209.05974	1.0
237.05406	1.5
270.08832	5.0
272.09937	0.8
284.29544	0.7
310.30988	4.4
327.25314	1.1
328.25739	1.3
328.32050	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.3
57.03426	2.0
59.04990	20.3
61.02914	1.0
69.03418	2.9
69.07041	0.4
70.06585	2.8
71.04994	0.4
72.08137	2.2
73.02923	0.4
73.06538	100.0
74.51689	0.4
78.21796	0.4
81.03417	0.7
85.02891	10.8
86.09684	2.9
88.16093	0.4
95.08595	0.4
97.02853	3.0
98.97569	0.9
98.98489	0.4
99.79310	0.3
107.04948	0.7
109.02886	0.8
116.07081	1.9
116.98638	1.4
117.09123	3.5
119.04931	1.7
120.05238	0.7
124.48179	0.4
127.03896	1.8
131.10680	4.6
135.08093	0.4
137.05995	2.1
145.04968	0.5
147.04370	1.7
148.04752	2.1
148.07561	0.7
149.11710	21.6
175.06366	0.4
190.08594	14.6
190.95392	0.7
191.09373	0.5
250.97522	0.5
254.12920	0.7
267.11169	0.7
282.12314	12.8
328.12155	6.2
328.15588	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	328.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.8
53.03938	2.8
55.01862	9.6
55.05507	24.4
56.05834	6.3
57.03429	7.9
57.07062	1.7
63.94224	1.4
65.03926	2.1
67.05498	62.4
68.05835	14.4
69.03409	8.3
69.07056	36.3
70.07383	11.4
70.83698	1.3
71.04967	6.4
79.05479	42.7
80.05802	16.3
81.03413	6.8
81.07041	100.0
82.03738	2.0
82.07369	36.0
83.04964	13.0
83.08602	7.4
84.05274	2.7
84.26925	1.5
85.06538	7.0
87.04434	3.3
88.04790	2.4
91.05463	29.3
92.05791	13.6
93.07024	34.8
94.07348	12.5
95.04943	18.8
95.08585	36.4
96.05294	2.4
96.08926	19.1
97.06510	13.2
98.06832	3.1
99.08093	10.6
100.08459	1.9
103.32973	1.3
105.07025	20.4
106.07353	9.7
107.04910	3.3
107.08574	17.5
108.08930	11.1
109.06509	16.5
109.10147	14.2
110.06860	6.7
110.10472	7.3
111.08089	3.4
115.03831	1.4
117.07007	6.5
118.07338	2.6
119.08562	14.0
120.08910	9.3
121.10171	11.8
122.10486	6.4
123.08058	8.8
124.08395	3.6
131.08553	8.6
133.10133	9.8
134.10472	5.6
135.04413	8.9
135.11665	8.5
136.12041	7.6
137.05922	1.6
137.09589	3.1
144.08858	2.2
145.06648	1.4
145.10141	6.2
146.10434	3.4
147.11687	7.3
148.12004	3.6
158.10265	1.5
159.11647	2.3
160.11885	1.9
161.06059	2.0
161.09558	2.1
161.55934	1.5
163.07523	2.0
194.12576	2.0
196.14345	1.8
231.10304	1.5
232.96260	1.6
246.19371	3.2
263.19885	7.6
264.20288	23.1
269.07642	2.9
282.21399	2.3
292.19708	2.3
293.21228	3.1
309.20499	3.5
310.20956	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	327.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01860	1.0
55.05503	25.7
57.07067	20.5
59.77199	1.1
60.69436	1.2
65.03949	1.4
67.05152	2.1
67.05492	46.8
69.03404	1.6
69.07055	42.6
71.08621	10.0
74.32182	1.0
79.05472	33.8
81.07038	98.9
83.04942	1.1
83.08595	21.5
85.06526	2.7
85.10150	2.8
91.05471	21.2
92.08716	1.3
93.07022	59.4
95.04930	7.3
95.08583	100.0
97.06490	2.5
97.10165	13.9
103.05488	1.4
105.07016	32.5
107.08581	35.1
109.06490	2.4
109.10137	45.9
111.08057	2.2
111.11706	6.9
114.57660	1.2
119.08566	25.5
121.10116	20.2
123.08033	5.9
123.11670	11.9
131.04956	1.3
133.10109	18.6
135.11693	18.7
137.05917	2.3
137.09634	9.1
137.13229	6.9
147.11668	19.9
149.13290	16.1
151.11096	2.4
151.14795	1.7
152.45595	1.2
154.35880	1.1
155.10603	2.4
161.13200	11.2
163.14738	9.1
165.12718	5.0
175.14780	2.5
177.16298	2.5
189.16331	5.8
191.17805	1.9
203.17906	4.6
205.06483	1.3
206.07277	2.6
217.19513	5.9
219.08127	1.8
220.08815	2.8
221.05943	1.3
235.11143	5.8
237.09137	1.2
248.08418	1.8
250.65259	1.4
263.10556	11.6
266.09167	1.5
273.25684	25.6
279.26758	2.6
291.26816	13.7
295.13251	13.5
309.27896	5.2
326.33136	1.3
327.15857	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39436	0.4
68.05006	0.8
69.03416	12.1
70.06562	0.8
81.44144	0.5
85.02853	0.5
85.06513	2.3
86.05518	0.8
86.06049	33.8
87.04447	100.0
90.05529	18.7
96.51707	0.4
103.07511	0.5
104.07084	97.0
110.09695	0.4
149.08025	0.5
150.06616	1.7
159.24420	0.4
166.07214	1.6
196.07272	0.6
201.32057	0.4
257.40134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.7
53.03935	1.5
54.63899	0.6
55.01864	1.7
55.05234	0.8
55.05503	24.7
57.03429	9.7
57.07066	14.2
64.92361	0.6
65.03905	0.8
67.05493	89.2
69.07056	29.4
71.04971	1.6
71.08608	4.3
79.05477	26.0
81.07040	100.0
83.04958	1.4
83.08604	14.2
85.06522	4.1
85.10179	3.0
86.63724	0.7
91.05463	28.9
93.06432	0.9
93.07023	33.4
95.04958	2.8
95.08585	77.3
97.06522	8.1
97.10139	7.7
99.08060	5.5
105.07011	16.4
107.08581	13.9
109.06505	1.5
109.09403	1.2
109.10143	30.8
111.08051	3.2
111.11662	1.6
113.09618	1.6
117.07075	0.7
119.08557	16.7
121.10129	14.2
123.08044	1.3
123.11682	11.8
125.09568	1.0
127.11122	1.5
129.05467	0.7
133.10112	17.7
135.08060	0.7
135.11667	15.7
137.05986	1.7
137.09569	1.1
137.13232	10.1
139.11136	1.1
147.11676	11.0
149.13254	3.8
151.07581	1.4
151.14780	5.5
153.12701	1.0
161.13205	10.2
175.14767	5.6
189.16309	1.0
193.54079	0.7
201.01733	0.8
217.19489	28.2
235.20523	21.8
288.57840	0.8
309.24164	9.1
327.25253	13.4
339.61359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38650	0.7
53.00289	1.4
53.03936	4.9
54.72511	0.6
55.01858	4.6
55.05504	27.3
57.03425	4.8
57.07065	15.4
59.04966	0.7
67.05141	1.6
67.05489	34.0
69.03418	1.0
69.07052	23.1
71.04979	5.0
71.08614	1.3
72.08121	1.2
72.78425	0.7
77.48820	0.7
79.05471	24.0
81.03396	18.3
81.07037	34.9
83.04956	11.9
83.08596	9.2
85.02886	0.9
85.06518	1.0
85.10164	22.7
91.05462	14.8
93.07020	22.7
95.04944	21.1
95.08583	19.6
95.61303	0.7
97.06501	3.3
97.10153	7.0
98.98444	1.5
99.08058	1.1
105.07004	15.6
107.04936	5.4
107.08571	14.7
109.06506	6.4
109.10130	16.9
111.08047	3.4
113.09633	16.8
117.07012	3.1
119.08549	8.7
121.10133	6.7
123.08031	3.1
123.11724	1.9
125.09612	3.8
129.06998	3.5
131.08543	3.8
133.10088	11.3
135.08046	1.3
135.11682	1.5
137.05978	1.0
143.08556	1.2
145.10109	3.8
147.11659	5.3
147.82417	0.9
149.09573	7.0
149.13248	1.6
151.07578	0.9
151.11182	5.7
157.10115	2.8
161.13277	1.0
163.11104	1.3
163.14899	0.8
165.12718	35.3
167.14282	1.5
167.35291	0.8
171.11598	1.4
175.11137	1.3
179.14215	2.7
198.06339	0.9
202.24181	0.7
228.67281	0.9
229.92500	0.9
236.05058	1.0
241.19514	1.0
277.21564	38.4
295.22614	100.0
309.24225	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	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03841	1.3
53.00297	1.6
53.03942	3.1
54.12015	1.3
55.01863	10.1
55.05238	1.9
55.05507	57.4
57.03429	24.0
57.07077	2.1
59.04964	1.5
60.33852	1.3
63.76172	1.2
67.05492	70.1
69.03438	1.4
69.07058	57.2
71.04965	3.1
71.08618	6.0
76.55447	1.6
79.05482	29.6
81.03401	14.6
81.07043	76.1
83.04967	7.2
83.08602	24.1
91.05466	23.2
93.07030	32.1
95.04984	10.5
95.08590	100.0
97.06499	8.2
97.10158	15.8
98.98465	2.2
99.08083	2.1
103.05471	10.6
105.07018	17.4
107.04968	2.8
107.08575	17.1
109.06490	6.3
109.10162	20.5
111.04399	2.4
111.08092	3.0
111.11727	3.4
115.05439	2.3
117.06973	3.2
119.04893	2.0
119.08590	10.1
121.10136	15.1
123.08057	2.9
123.11685	3.5
129.07024	3.0
131.04893	3.4
131.08528	2.4
133.06503	2.3
133.10114	9.6
135.04407	1.7
135.11690	10.2
137.05962	16.7
137.09612	2.0
139.11166	1.7
143.08522	2.4
145.06526	2.4
145.10165	3.3
147.04398	2.2
147.11685	3.8
149.13200	3.1
151.07523	6.0
159.10182	1.8
161.06044	1.6
161.13214	2.1
162.06682	2.4
163.07529	3.3
163.11169	1.8
165.12685	1.7
171.08018	2.1
173.05984	2.2
175.07393	2.1
181.12216	9.5
188.08315	3.2
190.95444	2.0
203.10725	5.7
217.19588	2.3
221.06070	2.8
225.09085	2.8
227.12700	2.1
235.20607	3.6
250.97557	2.1
253.08452	2.5
256.07166	2.2
263.20020	7.4
281.21143	7.1
286.11908	6.9
291.19562	1.7
297.10974	1.4
309.20627	3.4
324.29617	1.7
327.12418	1.9
327.15857	2.0
327.18445	2.0
327.21664	10.7
327.25293	50.2
336.29474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08294	1.1
51.36206	1.0
53.03936	1.4
54.64726	1.3
55.01865	9.0
55.05234	1.7
55.05505	49.3
57.03430	21.1
57.07078	5.7
60.14331	1.3
62.20032	1.5
67.05492	68.9
69.03417	2.0
69.06674	1.7
69.07050	52.7
71.04971	6.9
71.08611	3.4
73.55018	1.3
79.05472	25.9
81.03428	9.9
81.07039	68.3
83.04966	3.2
83.08613	19.4
85.06553	2.2
87.89795	1.2
91.05457	27.8
93.07015	25.4
95.04942	9.0
95.08584	100.0
97.06525	9.4
97.10149	9.7
98.98429	2.5
99.08083	3.0
103.05449	9.1
105.07008	15.2
107.04941	2.9
107.08572	19.3
109.06529	6.5
109.10138	19.0
111.04390	5.3
111.08106	2.7
114.80374	1.6
115.05368	1.9
117.06974	2.9
119.04925	2.4
119.08531	11.1
121.06507	2.6
121.10108	9.0
122.03640	2.4
123.08076	8.0
123.11684	6.0
129.07019	2.0
131.04929	2.8
131.08484	2.2
133.06540	1.5
133.10124	9.8
135.04420	2.9
135.11710	7.8
137.05957	15.0
137.09599	1.7
137.13190	2.6
139.11130	1.7
145.06447	1.9
145.09987	2.0
147.04433	1.8
147.11665	2.8
149.09598	2.1
149.13260	1.6
151.07526	9.8
151.11298	1.4
159.10118	6.4
161.05937	1.7
161.13248	1.7
163.07466	2.6
163.11197	1.9
171.08038	2.6
177.09059	1.3
181.12199	6.3
187.07481	2.0
188.08299	2.9
203.10670	2.4
219.00737	1.4
225.08992	1.8
227.12767	1.7
235.20512	2.3
256.07187	1.8
263.20020	5.5
281.21106	6.9
286.12070	3.1
309.20486	7.1
309.23825	1.8
327.12415	1.6
327.15793	2.6
327.21597	9.4
327.25299	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.2
54.82219	0.9
55.01862	4.2
55.05505	26.1
57.03227	0.7
57.03428	12.2
57.07068	14.8
60.35616	0.8
65.03934	1.2
67.05492	97.3
69.07051	30.2
71.04978	2.0
71.08601	1.4
76.26087	0.8
79.05469	26.5
81.07037	100.0
83.04956	3.7
83.08604	18.3
85.06522	6.2
85.10173	1.6
89.18287	0.9
91.05457	31.0
93.07023	28.7
95.04926	1.9
95.08583	77.0
97.06489	8.6
97.10147	6.0
99.08063	4.2
105.07011	18.6
107.08566	13.4
109.06523	1.7
109.10135	30.1
111.08070	1.5
113.09631	2.0
119.08547	15.6
121.10120	18.0
123.08044	1.7
123.11670	11.0
131.08499	1.0
133.10103	18.2
135.11653	17.2
137.09561	2.3
137.13245	6.9
137.52565	0.9
147.11664	10.1
149.13266	3.9
151.14798	8.6
161.13191	10.6
174.25325	0.9
175.14801	4.8
189.16229	1.0
217.19463	31.2
217.21439	1.8
219.10600	0.9
235.20490	25.1
307.28085	0.9
309.24185	16.8
327.25113	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2163
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.85269	1.0
52.91544	1.1
53.03938	3.0
55.01871	11.4
55.05502	22.5
56.81472	1.3
57.03427	6.5
57.07059	1.3
62.13792	1.2
67.05493	65.5
69.03415	8.1
69.07057	32.4
71.04973	2.8
79.05479	50.1
80.46839	1.2
81.03398	7.1
81.07040	100.0
83.04962	12.0
83.08617	2.7
85.06526	5.9
87.04464	7.5
91.05464	26.7
93.07022	37.8
93.81542	1.4
95.04948	15.4
95.08582	35.2
97.06496	11.2
99.08076	10.2
105.04475	1.3
105.07021	29.9
107.04970	2.5
107.08593	18.5
108.06698	1.1
109.06496	16.8
109.10150	14.6
111.08044	4.9
114.35916	1.1
117.06982	6.6
119.08549	17.3
121.06483	1.8
121.10110	17.8
123.08054	11.8
123.11692	1.7
125.09588	2.8
127.94926	1.3
129.07018	2.7
131.08556	7.2
133.10097	12.0
135.11665	11.1
135.12592	1.2
137.09605	2.7
143.08546	2.4
145.10114	8.8
147.11656	11.3
148.53268	1.5
149.09558	2.1
149.13271	1.8
154.03345	1.2
157.10126	2.2
159.11653	2.8
161.09628	2.2
161.13258	1.7
163.11191	2.1
165.74146	1.5
171.11635	2.1
173.13220	1.6
181.12236	1.6
183.13657	1.5
193.12189	2.2
211.13419	1.4
237.05510	1.9
238.06190	1.4
245.18864	2.8
262.33401	1.4
263.19974	25.0
268.07169	6.9
281.21118	2.5
291.19382	2.8
299.94742	1.5
309.20508	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	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63574	1.3
53.03932	8.8
54.81484	1.4
55.01857	3.7
55.05505	19.6
56.83099	1.4
57.03419	8.4
57.07064	8.2
61.75292	1.4
65.03938	2.3
67.05492	45.2
68.90888	1.4
69.07054	20.8
71.04954	2.5
76.67520	1.5
79.05471	43.8
81.03394	3.1
81.07039	52.0
83.04944	3.2
83.08610	6.4
85.06477	2.0
91.05460	77.9
91.06010	3.5
93.07022	97.6
94.04174	1.7
95.04948	78.7
95.08578	63.3
97.06512	16.3
103.05443	44.9
105.04536	2.9
105.07010	100.0
107.04947	14.1
107.08578	51.5
109.06502	15.9
109.10135	22.2
115.05418	17.1
116.06239	2.6
117.06996	37.8
119.04919	9.0
119.08558	74.6
121.06503	20.4
121.10120	45.2
122.03627	4.1
123.08029	10.0
123.11649	3.9
128.06197	34.3
129.06987	19.8
130.07747	11.0
131.04935	16.6
131.08540	37.2
133.06456	6.9
133.10103	40.5
135.08012	22.3
135.11646	9.0
137.05952	45.6
137.09564	3.0
141.06982	7.5
142.07744	24.1
143.08539	58.7
144.09314	13.3
145.06415	15.1
145.10106	46.8
146.07263	3.6
147.08072	2.6
147.11656	11.2
148.05186	6.6
149.09604	3.7
149.13289	2.9
151.07506	19.7
153.07034	1.9
154.07742	2.4
155.08510	8.9
156.09299	14.0
157.06488	2.4
157.10100	32.1
158.10909	7.9
159.08044	4.1
159.11647	33.4
160.12471	1.7
161.05965	2.1
161.09602	15.5
161.13284	3.2
162.06874	2.0
163.07501	10.1
165.06978	2.4
165.09073	7.1
166.07816	1.9
167.08553	2.1
168.09380	2.5
169.10075	9.2
170.10861	2.5
171.08008	25.1
171.11662	16.1
173.05946	6.4
173.09569	2.7
173.13239	14.4
173.57697	2.0
175.07542	8.1
175.11057	1.9
175.14799	12.4
177.09055	3.2
179.08641	2.9
181.10059	7.1
182.10909	2.5
183.11636	9.6
185.09650	1.9
185.13170	9.7
187.07487	7.0
187.11121	3.9
187.14784	9.6
188.08278	30.2
189.12663	3.2
191.08514	2.0
193.10158	6.0
195.11670	2.4
196.12445	2.4
197.13254	7.0
199.14792	7.2
201.14703	1.9
201.16406	2.4
203.10611	24.4
207.11760	2.6
209.13234	7.4
213.16200	2.4
217.15913	2.8
220.12518	1.7
223.14799	2.8
225.16319	2.1
235.11255	1.9
235.14789	3.5
276.97406	1.8
283.09497	2.6
291.20993	2.5
309.22308	2.3
327.15793	17.2
327.22830	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01870	3.7
55.05492	22.0
57.07060	6.5
58.21936	3.1
58.61781	2.8
62.70910	3.3
67.05492	52.6
69.07061	25.0
71.04971	4.4
74.38029	3.0
79.05466	46.9
81.03416	3.3
81.07043	40.4
83.04961	4.1
83.08612	3.9
85.06523	5.4
87.98495	3.0
91.05463	66.4
93.07032	97.8
95.04951	84.8
95.08587	76.2
97.06525	7.0
103.05428	5.9
105.07014	100.0
107.08586	62.4
109.06506	15.2
109.10165	25.6
115.05431	5.2
117.07010	25.8
119.08562	75.8
121.06463	18.1
121.10128	30.8
123.08028	18.0
123.11640	4.3
129.06992	15.2
130.07751	3.9
131.08539	40.4
133.06467	13.3
133.10088	48.8
135.08067	12.7
135.11681	11.5
137.09569	3.5
141.06883	4.2
142.07756	17.3
143.08530	22.2
144.09303	6.4
145.10097	44.6
147.11652	22.0
149.21411	3.5
153.06995	4.1
155.08580	4.5
156.09334	14.8
157.10109	30.7
159.11623	35.3
161.09587	17.2
161.13165	4.1
163.07509	6.7
163.14751	3.7
167.08554	5.4
169.10104	18.1
171.11639	14.9
173.09639	3.4
173.13245	14.0
175.14803	15.9
179.08635	4.9
180.09230	3.6
181.10110	7.8
182.10892	4.8
183.11641	6.4
185.13182	5.3
187.14787	13.9
197.13162	5.7
199.14696	7.9
206.11028	4.2
209.13211	4.2
211.14827	6.4
212.42535	3.2
212.60442	3.5
221.13144	5.4
225.16353	4.3
226.88942	4.3
235.14731	3.9
237.33955	4.0
242.98059	3.2
309.22073	4.4
311.60629	4.1
327.23135	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	327.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
54.79739	0.8
55.01867	15.1
55.05505	26.5
57.03428	6.9
57.07064	1.9
65.03907	1.2
67.05494	63.2
69.03420	5.8
69.07058	20.2
71.04968	9.8
79.05476	50.1
80.47189	0.9
81.03411	2.2
81.07042	100.0
83.04967	18.7
83.08608	7.4
85.02903	1.6
85.06528	7.0
86.60340	1.0
87.04457	4.9
91.05462	63.6
93.07029	39.3
95.04948	46.1
95.08585	31.2
97.06522	10.2
97.10174	1.7
99.04441	2.0
99.08086	5.8
105.07015	57.7
107.04942	14.1
107.08582	46.5
109.06498	18.0
109.10146	47.4
111.04439	6.8
111.08072	2.1
113.05991	2.0
117.07008	7.1
119.04848	1.2
119.08568	24.2
119.54896	1.0
121.06494	2.3
121.10104	9.8
123.04414	1.9
123.08059	3.9
123.11691	9.7
125.09618	4.7
127.07587	1.5
128.06229	1.0
129.06963	12.2
131.08543	11.5
133.06488	4.7
133.10106	56.7
135.08028	15.4
135.11700	5.5
137.05966	4.8
137.09586	2.5
142.07730	2.0
143.08524	2.2
145.10080	4.7
147.08063	2.0
147.11671	15.6
149.09607	9.0
149.13261	1.4
151.07552	1.4
151.11169	26.6
157.10107	10.7
161.09587	2.2
165.12711	7.9
169.12271	1.7
171.11621	1.3
175.11153	15.2
191.69446	1.0
193.12231	21.8
211.13255	44.1
229.14381	1.7
245.19041	1.4
255.06664	1.1
263.20163	2.2
263.23581	1.0
268.07349	7.7
273.18390	7.4
281.08136	1.8
286.08185	1.4
286.53030	1.0
291.19540	11.0
309.11261	1.9
309.20526	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2164
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.03939	1.4
53.18404	1.3
55.01865	77.1
55.05507	24.6
57.03189	1.1
57.03426	17.2
57.07053	1.6
65.03905	2.1
67.05151	2.6
67.05493	61.4
69.03414	6.8
69.07056	29.8
71.04967	9.7
73.02888	10.6
75.31159	1.6
79.05479	46.8
81.03368	8.1
81.07038	100.0
82.77227	1.5
83.04960	43.7
83.08588	3.9
85.02891	15.7
85.06532	2.9
87.04433	3.1
91.04881	2.8
91.05459	73.9
92.08666	2.7
93.07027	37.7
95.04953	28.2
95.08585	89.9
97.06502	19.9
97.10119	8.9
99.04440	14.2
101.02356	40.2
105.07020	57.0
107.04946	3.5
107.08578	61.7
109.06487	18.2
109.10134	31.5
109.58990	1.7
110.57967	1.6
111.04429	97.3
111.08047	2.8
113.05969	1.4
117.06983	13.4
119.08555	32.3
121.10117	2.5
123.08015	10.7
123.11668	10.6
125.05981	11.9
129.05435	8.0
131.08533	7.2
133.06462	3.9
133.10107	53.8
135.08006	7.9
135.11537	1.6
137.05952	28.9
137.09590	17.3
139.11203	1.8
141.09122	2.0
143.08536	8.6
145.10103	3.7
147.07983	2.6
147.11667	2.0
149.09590	2.9
151.11165	59.7
159.10114	7.2
159.11377	1.9
161.09607	19.2
161.13272	1.8
167.10652	6.7
169.12204	39.0
179.10652	26.0
180.10962	1.6
197.11700	59.3
207.13820	5.9
215.12692	2.3
245.18903	6.6
263.19968	27.5
281.21060	85.2
283.57333	1.6
285.15112	2.2
291.19281	2.8
309.20554	12.2
327.21552	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	327.2163
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03939	4.7
53.09285	0.9
55.01869	16.9
55.05506	77.3
57.03420	8.2
57.07078	1.5
59.04999	1.2
59.19787	1.0
67.05491	46.9
69.03397	11.0
69.07051	25.9
71.04965	5.6
76.64778	1.2
79.05476	47.4
81.03403	19.4
81.07036	100.0
83.04962	25.2
83.08601	46.5
83.09095	2.0
84.97795	1.3
85.02867	2.6
85.06544	1.8
91.05460	17.5
92.54572	1.2
93.07026	30.9
95.04938	20.2
95.08581	31.0
97.02879	1.3
97.06495	8.0
97.10146	64.0
99.04410	1.8
99.08078	6.3
105.07011	21.4
107.04949	5.6
107.08572	32.0
109.06498	8.3
109.10149	11.9
111.04432	21.5
111.08074	11.5
115.05440	1.6
117.06992	9.8
119.08538	16.0
121.06479	6.5
121.10128	8.4
123.08040	37.9
125.09602	39.3
129.07004	6.7
131.08565	8.2
133.10126	5.9
135.08049	7.3
135.11678	7.1
137.09547	9.0
139.11115	1.7
139.98378	1.2
143.08516	2.5
143.10664	1.5
145.10123	11.5
147.08025	7.8
147.11659	5.1
149.09628	5.8
153.09067	2.5
153.12714	7.7
157.10159	2.9
159.11676	1.9
161.09570	1.4
163.11143	20.9
165.09081	8.1
171.10143	2.0
175.11113	3.0
177.12665	1.4
181.12195	9.6
185.13182	1.4
189.11153	24.0
191.10698	4.3
193.12231	6.6
209.11714	1.3
211.13242	2.0
223.13478	1.5
227.12788	5.7
245.19000	1.3
255.64970	1.6
263.19977	1.7
273.18369	20.6
291.19458	83.9
309.20541	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	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.00309	0.9
53.03926	1.0
55.01860	1.1
55.05497	0.8
62.99185	0.5
67.05486	0.8
69.07045	0.7
79.05478	9.0
81.07037	1.2
91.05462	12.6
92.08714	0.8
93.07008	2.4
95.04939	4.5
95.08565	1.3
98.98441	2.5
103.05450	24.8
103.67417	0.6
104.06249	1.5
105.04501	1.0
105.06992	6.6
107.04939	100.0
107.08562	1.3
109.06512	1.4
115.05441	11.0
117.07011	4.2
119.04895	3.9
120.05727	0.7
121.06484	4.3
122.03626	1.5
128.06192	6.4
129.07028	1.1
131.04907	10.0
132.43300	0.6
133.06479	4.1
135.04495	0.8
135.08026	11.4
137.05962	16.0
139.09149	0.5
141.07045	0.7
143.08511	7.5
145.06468	3.8
145.07555	1.2
146.07205	3.2
147.04385	0.9
148.05179	1.3
149.05939	8.0
151.07552	6.6
159.08061	0.9
161.09583	4.2
162.06737	1.1
163.07510	52.0
164.08289	16.0
171.08018	5.4
173.05946	2.4
175.07545	3.9
177.09134	1.1
188.08298	8.6
203.10643	16.4
235.10918	0.6
298.12149	0.6
327.15848	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	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
50.53613	1.5
53.03941	4.5
55.01876	2.3
55.05502	4.6
67.05494	17.7
69.07053	2.9
79.05475	17.0
81.07026	14.5
91.05459	48.6
93.07021	23.7
94.04166	3.7
95.04947	37.3
95.08593	20.4
98.41125	1.8
103.05454	82.7
105.04497	2.6
105.07024	27.5
107.04935	27.1
107.08598	16.3
109.06502	5.0
109.10158	4.0
115.05452	13.7
115.90344	2.2
117.07008	20.7
119.04916	16.1
119.08551	18.5
121.06499	12.0
121.10104	8.8
122.03658	11.2
123.08013	2.9
126.24462	1.9
128.06204	47.6
129.06989	3.6
131.04922	32.9
131.08578	11.8
133.06497	7.7
133.10136	9.1
135.08025	19.4
137.05956	100.0
141.06973	4.0
142.07762	4.3
143.08537	62.9
145.06468	30.8
145.10141	10.5
146.07230	8.2
147.11678	3.5
148.05141	3.7
149.06020	4.7
149.09613	2.5
151.07527	39.5
152.06177	17.4
153.06958	14.4
155.08624	2.2
157.10156	4.3
159.07985	2.2
159.11731	4.8
161.05977	4.1
161.09616	10.4
163.07524	30.2
164.08231	3.6
165.09134	9.7
168.05722	2.7
169.06447	2.5
171.08035	47.1
171.11760	2.0
173.06010	16.0
175.07532	8.2
177.09109	9.2
179.08617	2.5
187.07503	15.5
187.14815	2.6
188.08293	76.0
203.10629	57.2
207.11787	2.1
228.09302	3.5
229.09633	2.3
233.03616	13.9
235.02330	1.9
237.09106	2.6
238.09767	2.1
249.25253	2.0
251.04561	5.0
263.10657	3.2
269.24973	2.3
280.10858	3.7
283.09622	8.6
295.13437	5.0
295.17133	2.5
298.11948	5.0
327.07739	37.7
327.15787	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	327.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42841	0.6
52.59651	0.6
53.00299	1.1
53.03925	1.5
55.01859	5.1
55.05489	2.9
57.03419	4.1
57.07042	1.2
65.03928	6.1
67.05499	8.5
69.07044	1.6
79.05479	14.8
80.06257	1.4
81.03414	1.0
81.07035	10.9
85.02936	0.7
91.05459	100.0
93.07021	20.4
94.04156	0.8
95.04939	13.8
95.08577	8.3
97.06504	4.6
103.05451	31.2
104.06251	0.9
105.04489	1.3
105.07014	29.7
107.04935	22.3
107.08587	5.8
108.05695	4.7
109.06488	6.6
109.10138	3.2
115.05401	7.5
116.06219	0.9
117.06989	10.7
118.04131	3.6
119.04918	78.1
119.08545	10.8
120.05698	1.2
121.06482	11.3
121.10113	10.4
123.04411	1.5
123.08047	9.4
125.60133	0.7
128.06219	2.6
129.06978	3.5
130.07756	3.5
131.04890	4.7
131.05746	0.8
131.08537	5.2
133.06488	9.1
133.10081	6.4
134.03624	0.9
135.08057	8.9
136.05144	4.3
137.05914	3.9
139.03864	0.8
142.07800	1.3
143.08542	4.9
144.09334	1.4
145.10085	7.2
147.04393	20.1
147.08038	6.8
148.08783	1.7
149.05939	1.6
149.09598	1.6
150.06689	0.7
151.07524	15.9
155.08626	0.9
156.09361	1.2
157.10114	3.5
159.11612	5.3
161.09561	1.0
163.07516	17.8
164.08292	1.3
168.59982	0.8
169.10126	1.0
171.11612	1.2
173.13251	1.0
175.11136	6.5
179.06992	35.0
185.13176	0.8
187.14883	0.8
214.06168	1.0
242.05652	16.4
257.08035	37.8
283.09674	0.9
285.11108	1.2
286.11572	0.9
291.23285	0.8
295.13284	1.0
327.15668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11418	0.6
53.00293	1.1
53.03929	1.5
55.01867	15.0
55.05232	0.9
55.05502	26.5
57.03433	5.0
57.07054	3.1
57.28244	0.6
59.04982	0.9
65.03924	1.0
67.05491	62.9
69.03403	5.0
69.06712	1.3
69.07053	22.1
69.44578	0.6
71.04977	10.1
71.08616	1.0
73.06558	0.7
77.03968	0.8
79.05473	48.0
81.03403	3.9
81.07038	100.0
83.04966	20.7
83.08606	9.5
85.02890	1.3
85.06523	6.6
87.04468	4.8
91.05461	59.9
91.15195	0.7
92.09326	0.7
93.07024	37.3
93.35316	0.6
95.04948	42.1
95.08585	25.9
97.02858	0.7
97.06516	8.3
97.10131	4.9
98.98507	0.8
99.04415	2.7
99.08038	7.3
101.02352	1.3
105.04501	1.0
105.07011	54.3
107.04935	12.0
107.07987	1.0
107.08572	39.0
109.06497	16.9
109.10138	51.1
111.04425	6.1
111.08080	2.7
113.06007	3.6
115.05421	1.7
117.07004	8.6
119.08559	21.1
121.06487	3.2
121.10127	11.3
123.04428	1.3
123.08038	5.6
123.11687	10.9
125.09615	4.9
127.07539	1.1
128.06168	1.3
129.06964	13.3
131.08539	14.4
133.06493	8.5
133.10103	60.4
135.08037	17.0
135.11652	6.0
137.05959	4.2
137.09576	3.2
142.07790	3.1
143.08484	2.6
145.10117	3.8
147.08044	3.7
147.11676	16.8
149.09605	11.3
151.07513	1.4
151.11163	30.9
153.09142	0.6
157.10115	10.2
159.08069	0.7
159.11661	0.8
161.09679	3.0
163.11125	0.8
165.09137	1.2
165.12715	9.5
169.12259	3.2
175.11142	17.7
179.10612	1.4
185.13194	0.8
189.12640	0.9
193.12206	23.2
209.05956	0.9
211.13258	40.7
229.14322	0.8
233.09558	0.8
237.05447	1.5
239.06975	0.8
245.18935	1.3
263.20111	3.5
268.07324	7.2
273.18430	8.6
281.08060	1.4
291.19525	11.4
309.11197	1.3
309.20462	1.4
327.15814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2162
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.73738	1.1
52.76415	1.1
53.03926	2.5
53.62471	1.1
55.01866	18.4
55.05505	100.0
57.03424	9.2
59.04990	3.0
59.97708	1.2
65.03944	1.8
67.05141	2.2
67.05492	53.2
69.03407	12.1
69.06712	2.2
69.07055	32.8
71.04961	7.6
74.50699	1.5
79.05475	53.9
81.03399	28.3
81.07041	78.8
83.04960	24.4
83.08604	55.5
85.02853	5.1
85.06539	4.9
85.73937	1.3
91.05463	31.3
92.09270	1.5
93.07025	52.9
95.04948	48.4
95.08585	64.7
97.06505	7.8
97.10152	75.2
99.08038	1.8
105.06373	1.6
105.07023	30.3
107.04933	8.4
107.08582	31.9
109.06504	8.2
109.10154	12.0
111.04417	10.1
111.08047	8.7
117.07009	10.7
119.08559	24.4
121.06491	6.6
121.10105	13.6
123.08043	90.7
123.11685	7.9
125.09608	45.6
128.06227	1.4
128.55777	1.4
129.06990	8.3
130.07765	1.5
131.08542	13.3
133.06461	5.2
133.10080	9.6
135.08043	8.1
135.11664	6.4
137.05913	2.5
137.09576	10.0
139.11159	2.0
143.08533	6.3
145.10143	9.8
147.08017	8.7
147.11684	2.7
149.09587	6.8
153.09077	1.7
153.12628	1.6
157.10126	7.6
159.07968	1.6
159.11697	5.5
161.09573	2.2
163.11177	12.1
165.09076	7.2
169.12238	2.9
171.11597	1.7
175.11134	7.1
181.10254	1.7
181.12093	1.8
187.11143	1.6
187.13257	10.9
189.11183	29.7
191.10651	5.1
193.12201	14.9
211.13251	17.6
223.13297	6.7
245.18765	1.7
255.17389	3.0
263.19943	2.5
273.18439	38.3
291.19492	61.4
305.29922	1.3
309.20566	25.5
345.75174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
52.20850	0.4
55.01851	0.4
56.04432	0.3
65.03924	0.7
69.07122	0.4
74.99544	0.4
79.05466	1.6
80.78157	0.4
81.07024	0.9
91.05463	36.9
92.08630	0.5
94.04150	2.7
95.04953	5.4
103.05441	0.4
105.06991	3.9
109.06522	1.0
117.07019	0.5
119.04923	31.5
122.03634	7.9
123.07996	0.7
128.06197	2.6
131.04944	0.4
133.06487	3.0
136.05156	4.0
137.05959	100.0
143.08543	12.0
145.06468	0.9
145.10109	0.7
151.07529	98.2
160.08850	1.0
165.09076	11.3
171.08035	8.2
172.08817	2.9
173.05968	2.2
188.08302	26.8
203.10646	40.2
221.06032	0.4
253.08647	0.5
269.08072	2.1
283.09583	0.7
284.10272	0.6
327.15826	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11467	1.0
53.00309	1.4
53.03939	1.1
55.01856	7.8
55.60130	0.9
57.03404	1.3
59.75703	1.0
59.84683	1.1
62.88340	0.9
67.05482	2.7
70.04080	1.5
74.03034	1.0
79.05109	1.1
79.05476	16.3
81.07014	2.4
91.05463	24.2
91.96018	1.1
92.63209	1.0
93.06998	2.6
95.04966	10.1
98.98455	1.4
103.05450	94.9
104.06242	9.2
105.04520	1.2
105.07004	17.9
107.04942	100.0
107.08585	1.6
109.06521	2.3
111.08060	1.5
115.05421	18.2
117.06987	7.8
119.04931	9.0
120.05688	4.5
121.06466	14.3
122.03539	1.7
128.06184	5.3
131.04895	33.7
131.08536	1.6
132.05653	6.6
133.06479	12.7
135.08009	24.2
137.05959	19.8
143.04955	1.2
143.08542	2.1
145.06444	7.6
145.07571	2.4
146.07242	1.3
147.04387	7.4
148.05154	2.5
149.05960	33.9
151.07556	10.7
159.07959	1.5
161.05965	4.5
162.06729	40.5
163.07515	93.5
164.08299	64.2
169.38118	1.2
171.08020	6.8
173.06000	1.9
175.07527	8.2
175.11163	1.9
177.09041	1.7
183.07994	1.4
187.07494	2.5
188.08269	12.4
203.10646	30.3
211.07500	6.1
221.05936	6.5
225.09003	5.0
239.07071	2.8
243.10063	2.5
253.08601	2.3
271.09543	5.9
286.11819	12.4
327.15982	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	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01873	3.5
55.05506	4.5
57.03424	3.4
67.05491	12.9
68.88708	2.0
69.07060	3.2
71.08591	2.7
71.34002	1.7
79.05498	16.1
81.03384	2.0
81.07033	12.6
83.08585	2.0
91.05473	37.8
93.07011	10.0
95.04931	11.0
95.08585	10.3
97.06516	1.9
98.98461	3.5
103.05457	63.2
105.07014	42.3
107.04943	8.2
107.08578	8.9
108.17656	1.9
109.06499	5.0
109.10149	2.5
113.06080	2.0
115.05453	2.0
116.93101	2.1
117.07014	9.7
119.04926	12.2
119.08549	25.3
121.06498	61.9
121.10136	3.1
122.03667	7.2
123.08052	4.3
128.06189	11.4
131.04915	62.1
131.08559	2.6
133.06477	32.3
133.10089	3.6
137.05965	100.0
143.08578	11.3
145.06459	3.3
147.04370	2.7
147.08047	4.4
149.05959	10.0
149.09650	3.5
151.07524	33.6
163.07523	38.9
165.09088	37.8
171.08026	4.5
175.07497	2.7
177.09103	20.5
188.08279	2.8
203.10667	12.9
273.18387	3.1
286.11981	3.1
291.19431	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	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.6
53.03939	1.9
55.01857	2.0
55.05505	26.2
56.27273	0.4
57.03426	1.2
57.07068	20.2
59.04980	0.5
61.02902	0.5
65.03925	0.8
67.05490	44.7
68.96648	0.5
69.03411	0.8
69.07054	41.8
71.04980	1.1
71.08612	9.6
76.56037	0.6
79.05475	34.2
81.03389	2.0
81.07038	95.0
83.04967	1.9
83.08606	22.3
84.30733	0.5
85.06519	3.2
85.10181	4.1
91.04887	0.7
91.05459	24.6
93.07025	58.6
95.04961	7.6
95.08585	100.0
97.06512	2.5
97.10146	12.7
99.08057	1.2
103.05453	5.5
105.04525	0.9
105.07010	34.3
107.04953	1.0
107.08575	34.8
108.38383	0.5
109.06485	5.3
109.10144	43.6
111.08054	2.6
111.11700	6.1
115.05407	0.6
117.06989	3.0
119.04922	0.9
119.08556	22.9
121.10124	24.5
123.08035	5.2
123.11684	16.7
125.09624	0.6
125.13254	1.1
128.06233	0.8
129.06960	0.7
131.04918	2.3
131.08522	0.9
133.10109	21.3
134.40462	0.5
135.08064	0.6
135.11679	15.6
137.05963	7.2
137.09587	8.2
137.13222	6.7
139.11125	0.7
143.08528	0.9
145.06474	1.2
145.10049	0.7
147.04379	1.1
147.11664	17.8
149.05972	1.1
149.13248	15.4
151.07527	3.5
151.11160	3.8
151.14806	3.1
155.10622	4.2
161.05959	0.8
161.13234	11.8
162.06714	2.6
163.07576	1.2
163.14798	8.0
165.06938	0.6
165.12715	5.2
165.16339	3.7
171.08064	1.1
172.11743	0.5
173.06027	0.6
175.14771	4.3
177.09004	0.6
177.16383	3.8
179.14207	0.9
179.17975	1.2
187.07584	0.8
188.08226	5.3
189.16310	4.5
191.17906	2.9
193.12181	0.6
195.08063	0.6
203.10649	2.6
203.17819	3.6
205.06419	3.8
206.07176	1.2
207.08058	1.9
207.17453	0.5
211.07570	1.0
211.13268	1.1
217.19485	3.8
219.07893	1.7
220.08731	5.3
221.05966	1.1
223.07535	1.2
225.09120	2.2
231.21175	0.7
233.22676	0.7
235.11113	5.0
237.09172	0.9
243.10127	0.9
247.07375	0.6
247.24254	0.7
248.08295	2.9
249.09111	1.8
251.07071	1.2
252.11444	0.7
253.08543	1.1
254.09325	0.9
261.25842	0.8
263.10657	11.8
265.08524	0.8
266.09445	1.0
273.25711	26.8
279.26828	2.7
280.10794	0.6
281.43842	0.6
286.11893	4.5
291.19650	0.8
291.26749	14.4
295.13251	15.7
309.27734	7.0
327.15793	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	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25272	0.6
54.81827	0.4
55.01859	2.9
55.05502	1.2
56.01332	0.4
65.03935	0.7
67.05482	1.2
69.07053	0.6
79.05479	11.0
81.03418	0.6
81.07038	2.7
83.08622	0.7
91.05469	7.7
93.07026	0.8
94.04152	2.0
95.04948	4.3
95.08580	1.0
103.05460	9.0
105.07017	63.5
107.04936	2.3
107.08630	0.7
109.06484	5.6
111.04419	0.8
117.06986	0.8
119.04900	4.2
119.08591	0.9
122.03622	7.4
123.08028	0.6
124.05203	3.5
128.06227	4.1
129.07008	0.8
131.04869	2.3
133.06470	45.7
135.04390	0.7
137.05962	100.0
143.08502	3.8
145.06470	0.9
150.06732	0.6
151.07547	13.1
157.06464	0.7
161.05972	0.7
163.07588	0.8
165.09081	57.5
170.07347	0.6
171.08012	3.5
173.05936	0.7
175.07535	1.0
187.07550	0.5
188.08279	3.8
203.09024	0.5
203.10614	4.2
235.11131	0.7
269.12347	0.7
327.15759	1.3
343.90378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.8
55.05502	2.0
57.03424	1.9
67.05483	5.3
69.07050	1.7
71.04979	1.5
79.05463	6.6
81.07027	6.9
83.08596	1.2
91.05463	20.4
93.07005	6.0
94.04152	1.7
95.04948	1.8
95.08572	2.0
98.98445	2.4
102.89992	1.1
103.05456	13.6
105.06996	18.6
107.04910	4.4
107.08531	1.6
109.06533	1.2
109.10104	1.9
115.05431	14.9
116.06191	2.4
117.06236	1.4
117.06995	26.7
119.04896	7.8
119.08573	8.7
121.06491	19.8
122.03629	6.7
128.06215	6.4
129.06955	4.6
131.04910	17.2
131.08539	2.2
133.06444	12.5
134.07220	5.1
137.05948	68.3
143.08514	5.7
145.06497	8.7
147.04391	1.5
147.08078	1.3
149.05943	1.9
149.09583	7.2
151.07516	9.4
154.69165	1.2
161.05904	1.4
162.06709	8.3
163.07535	7.7
165.09067	18.3
171.08037	5.6
175.07483	1.9
177.09062	100.0
188.08313	1.3
195.08379	1.3
195.74612	1.3
200.14360	1.7
203.10632	13.7
207.34187	1.0
291.19742	2.0
327.15814	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	327.1226
Annotation	Smiranicin
Peak:m/z	Relative Intensity
55.05513	1.9
56.96564	1.4
67.05495	1.1
69.07027	1.1
70.06577	1.1
70.06974	0.9
79.05488	2.4
90.90634	0.9
91.05450	12.5
94.04173	2.5
95.04947	1.7
98.97569	2.1
100.11275	1.2
103.05447	8.4
105.07013	9.9
107.04952	2.1
111.04429	1.1
115.05447	2.2
116.98584	2.0
117.07012	1.6
119.04912	13.1
119.08591	1.3
121.06531	4.4
122.03620	9.6
123.04424	1.8
128.06223	1.6
131.04939	15.5
133.06488	6.6
135.08043	2.0
137.05960	100.0
143.05003	1.3
145.06474	10.2
146.03668	1.9
147.04391	28.9
147.11710	1.5
149.05968	2.3
151.07515	2.3
161.05946	27.9
162.06682	1.8
163.07509	2.7
165.05569	1.5
165.06906	4.1
173.05971	9.5
175.07576	1.7
177.00713	1.9
178.07758	2.4
179.08568	1.2
185.05972	5.4
190.07784	2.6
191.08492	9.5
193.10088	1.7
194.07326	4.1
195.08067	1.9
202.07675	9.3
203.08496	8.2
205.06522	5.0
206.07214	1.7
207.08052	1.8
209.09676	2.6
211.07686	1.7
218.07318	1.3
219.08054	11.9
220.09093	1.1
221.06009	2.6
221.09676	1.4
231.08051	7.4
234.06804	1.6
235.07626	2.0
236.08371	1.6
237.09065	8.1
239.07054	2.7
247.07535	5.5
249.09105	5.8
251.06909	1.3
251.10629	6.4
259.07446	1.6
265.08453	7.6
267.06540	1.6
267.10132	1.5
277.08554	7.0
279.10089	1.6
282.08762	10.8
285.10226	1.3
295.09741	2.6
295.12891	1.3
297.11179	21.9
309.11227	5.1
327.12161	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	327.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
53.22584	0.5
54.05076	0.3
54.34531	0.4
55.01864	0.7
55.05501	4.7
57.03427	14.3
59.04984	1.0
61.02919	3.2
69.03416	5.9
69.07047	2.7
71.01333	2.0
71.04975	48.3
72.05302	1.0
73.02895	4.6
75.04457	9.5
77.10930	0.4
78.90202	0.4
80.19939	0.5
81.03387	3.2
81.69763	0.5
83.04965	15.7
85.02888	100.0
86.03227	2.1
87.04460	2.1
91.05476	0.6
95.04932	0.6
97.02889	4.7
99.04420	2.1
100.02184	0.8
101.05978	0.5
109.02892	2.1
111.04422	6.1
111.11697	0.5
124.07558	0.9
127.03905	3.8
129.05450	18.2
129.12726	0.8
135.44705	0.5
136.51729	0.5
138.33267	0.5
145.04929	3.7
146.02696	0.6
147.04466	0.7
147.06512	10.1
148.06854	0.8
164.12184	0.4
165.07555	0.8
235.09230	0.5
267.87964	0.5
327.14703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.44360	0.4
51.60240	0.3
53.03946	0.4
55.01860	1.1
56.96566	0.5
64.33268	0.4
65.03915	0.6
67.05486	1.0
77.03872	0.4
79.05466	2.7
81.07046	2.4
81.99641	0.4
91.05462	18.2
91.24927	0.4
92.08652	0.5
92.63997	0.6
93.07029	0.9
94.04150	2.1
95.04935	2.5
95.08584	1.1
97.06554	0.5
98.98398	0.6
103.05450	8.4
105.07019	6.3
107.04918	2.3
107.08537	0.6
109.06503	3.0
115.05399	1.0
117.06980	1.9
119.04923	13.9
119.08559	0.6
120.59858	0.4
121.06462	3.1
122.03612	8.2
124.82471	0.5
128.06223	1.6
129.06960	0.5
131.04907	9.7
133.06468	11.5
135.04390	0.8
135.08040	5.6
136.05191	3.3
137.05956	100.0
138.09125	2.4
143.08522	6.2
145.06473	5.0
145.10129	1.1
147.04390	0.9
147.08054	0.5
147.11763	0.5
149.05989	0.7
151.07523	44.2
157.06477	2.1
160.05136	0.8
161.05939	0.8
162.06677	0.7
163.07518	14.4
165.05424	0.8
165.06947	0.5
165.09103	5.2
171.07967	4.7
172.08702	0.7
173.05978	2.0
175.07513	2.1
187.07471	0.8
188.08298	12.7
202.07735	1.0
203.10625	18.4
207.08112	0.6
229.07713	0.6
231.08093	1.9
235.11166	0.8
245.09590	0.6
248.08299	0.7
259.07260	0.5
262.09930	0.6
263.10718	0.9
273.13300	0.4
276.07791	0.7
277.08429	2.0
283.09653	0.8
295.13251	4.5
297.11212	0.9
307.58771	0.5
309.11273	0.9
327.15753	11.5
337.00119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23929	0.6
55.01859	2.7
55.05503	3.7
57.03413	1.2
58.39714	0.6
63.73374	0.5
65.03910	0.8
67.05496	6.5
69.03426	1.4
69.07055	1.6
70.04057	3.0
71.04967	1.1
72.21902	0.6
79.05486	7.4
81.03354	0.7
81.07037	10.7
83.04955	1.0
83.08597	0.6
91.05450	5.2
93.07015	4.7
94.04140	1.0
95.04941	1.7
95.08559	5.0
97.06498	3.1
97.10150	0.7
98.98448	0.8
99.08053	0.7
103.05476	5.2
105.07024	6.3
107.04938	3.0
107.08582	3.1
109.06504	3.2
109.10133	3.2
111.04478	0.7
111.08097	0.9
115.05382	0.9
117.06990	1.0
118.94392	0.6
119.04890	0.9
119.08546	3.3
121.06482	2.7
121.10107	1.3
122.03604	3.4
123.08100	1.0
123.11677	0.8
128.06206	1.0
129.06912	0.7
130.47145	0.7
131.04855	5.2
131.08607	0.7
132.35025	0.6
133.06483	4.2
133.10109	1.2
135.08051	1.1
135.11671	0.9
137.05957	37.7
143.08575	1.5
145.06479	5.8
145.10106	1.2
147.04427	0.9
147.08040	0.9
147.11661	0.8
151.03886	3.1
151.07547	6.6
157.06500	0.7
157.10165	0.7
163.07494	5.6
171.07976	1.4
175.07483	1.3
179.08507	0.8
187.07600	0.8
191.08545	3.2
192.09291	8.3
193.09978	1.0
200.79932	0.8
202.07741	1.4
203.10594	1.0
205.06410	9.2
206.10979	1.2
207.11668	7.4
209.09605	1.6
210.06709	2.4
211.07468	4.7
217.10132	1.1
219.08041	6.3
220.08768	16.0
221.09491	2.3
223.07498	1.1
225.09158	3.1
233.09581	0.9
234.06763	1.5
234.10271	0.8
235.11124	19.0
237.09055	10.6
238.09900	1.5
239.07013	6.2
247.07588	1.4
248.08203	8.0
249.08978	4.7
251.06947	2.5
251.10605	1.1
251.20132	0.9
252.07617	1.2
252.11438	9.2
263.10620	14.5
263.19876	1.5
264.11453	1.5
265.08511	8.1
266.09262	1.3
267.13705	3.8
271.09644	2.9
280.10849	3.3
286.11789	6.2
291.19550	2.7
295.13223	100.0
296.13513	0.6
327.15753	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	326.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39867	4.2
52.61545	3.6
54.80093	3.5
54.98880	3.5
55.05515	22.3
67.05487	41.6
67.51852	4.7
69.07069	19.8
71.08631	27.3
79.05475	43.0
81.03387	5.9
81.07047	46.3
83.04984	10.7
83.08633	10.6
91.05483	24.2
93.07025	53.4
95.04938	4.6
95.08610	24.5
97.10153	5.2
99.08109	25.0
105.07030	19.6
107.08623	28.4
109.10164	10.9
119.08582	17.8
121.10165	19.2
124.18727	4.5
133.10147	7.0
135.11703	25.1
151.11232	8.3
152.24512	4.5
161.13312	6.3
179.14290	72.3
203.14293	4.7
220.72729	4.5
236.33502	4.4
277.21573	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	327.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34317	0.7
53.71870	0.8
54.81205	0.9
55.01847	1.4
55.05490	2.0
57.03402	1.4
58.54937	0.8
60.94457	0.8
61.58905	0.9
62.40110	0.9
63.08666	0.8
65.23335	0.9
67.05479	8.3
69.03397	0.9
69.07037	1.3
71.04951	1.3
79.05460	7.0
81.03393	4.5
81.07039	2.4
83.04964	1.2
84.08086	1.0
85.02867	1.3
91.05451	7.4
93.07002	3.9
95.04950	10.7
98.97588	1.4
98.98458	1.7
103.05447	2.1
105.06993	5.0
107.04934	2.3
107.08578	2.4
109.02873	1.9
110.80248	0.9
116.98560	1.1
117.07002	1.8
119.04845	1.6
119.08570	3.8
121.06481	1.6
121.09981	1.2
123.04372	9.0
129.06905	1.3
131.04857	4.6
133.06470	2.0
134.99643	1.2
135.08043	1.4
137.05952	23.8
145.06456	1.9
145.09976	1.2
147.04375	1.9
147.07997	1.2
149.05948	1.8
150.06693	1.0
151.07510	1.2
161.05916	4.8
163.07472	2.4
165.06895	1.0
177.05458	1.9
185.00790	1.0
188.04553	1.4
191.10516	1.4
203.06873	1.2
212.02811	1.7
225.08954	1.3
225.81815	1.0
231.91127	1.0
235.13263	4.8
238.44727	1.1
253.08429	1.1
267.08264	1.8
268.08365	1.0
277.08499	1.4
282.08453	1.0
282.38608	1.0
290.33624	1.0
309.09235	14.6
309.16812	9.2
309.46335	1.0
327.10385	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	327.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34317	0.7
53.71870	0.8
54.81205	0.9
55.01847	1.4
55.05490	2.0
57.03402	1.4
58.54937	0.8
60.94457	0.8
61.58905	0.9
62.40110	0.9
63.08666	0.8
65.23335	0.9
67.05479	8.3
69.03397	0.9
69.07037	1.3
71.04951	1.3
79.05460	7.0
81.03393	4.5
81.07039	2.4
83.04964	1.2
84.08086	1.0
85.02867	1.3
91.05451	7.4
93.07002	3.9
95.04950	10.7
98.97588	1.4
98.98458	1.7
103.05447	2.1
105.06993	5.0
107.04934	2.3
107.08578	2.4
109.02873	1.9
110.80248	0.9
116.98560	1.1
117.07002	1.8
119.04845	1.6
119.08570	3.8
121.06481	1.6
121.09981	1.2
123.04372	9.0
129.06905	1.3
131.04857	4.6
133.06470	2.0
134.99643	1.2
135.08043	1.4
137.05952	23.8
145.06456	1.9
145.09976	1.2
147.04375	1.9
147.07997	1.2
149.05948	1.8
150.06693	1.0
151.07510	1.2
161.05916	4.8
163.07472	2.4
165.06895	1.0
177.05458	1.9
185.00790	1.0
188.04553	1.4
191.10516	1.4
203.06873	1.2
212.02811	1.7
225.08954	1.3
225.81815	1.0
231.91127	1.0
235.13263	4.8
238.44727	1.1
253.08429	1.1
267.08264	1.8
268.08365	1.0
277.08499	1.4
282.08453	1.0
282.38608	1.0
290.33624	1.0
309.09235	14.6
309.16812	9.2
309.46335	1.0
327.10385	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	326.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
53.62574	1.3
55.01860	21.7
55.05503	23.1
57.03407	3.2
59.53860	1.0
67.05151	2.4
67.05492	64.0
69.03400	5.3
69.07056	23.6
71.04977	13.1
79.05475	36.0
79.53748	1.3
81.03410	1.5
81.07039	81.0
83.04967	13.2
83.08609	2.9
85.06534	10.6
89.21532	1.3
91.05461	51.4
92.09241	1.4
92.44708	1.2
93.07024	29.6
93.52142	1.5
95.04948	10.7
95.08585	17.4
97.10152	1.4
99.04433	2.3
105.07011	58.8
107.04907	5.7
107.08575	54.5
108.32645	1.4
109.06509	12.6
109.10144	100.0
111.08070	2.4
114.35447	1.3
117.06979	2.6
119.08521	7.4
121.06443	2.1
121.10155	5.0
123.11679	11.8
127.07515	2.2
129.07036	1.6
131.08531	8.4
133.06459	2.0
133.10107	80.3
135.08028	16.9
136.08353	2.7
145.10075	2.6
149.09576	1.9
151.11148	44.8
156.36333	1.8
161.09601	3.2
163.11111	1.7
169.12212	10.1
186.47314	1.4
215.12726	6.8
263.19955	2.2
266.53778	1.7
273.18393	8.8
291.19492	18.4
309.20499	1.8
326.23877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14110	1.3
52.74895	1.4
53.03941	2.6
55.01870	9.7
55.05264	2.9
55.05508	46.5
57.03428	9.2
57.07075	15.8
67.05502	56.3
69.03419	3.2
69.07062	59.1
71.04981	3.6
71.08614	2.3
78.02718	1.4
79.05483	55.5
81.03384	2.3
81.07043	100.0
81.77402	1.6
83.04982	11.2
83.08612	24.7
83.31352	1.4
85.02900	2.8
85.06544	7.3
85.10138	1.6
91.05464	54.0
91.06004	2.6
93.07030	66.3
95.04961	13.5
95.08595	70.4
97.06515	12.4
97.10167	10.0
98.03048	1.6
99.08081	3.2
103.05456	15.1
105.07032	46.7
107.04948	6.3
107.08576	40.5
109.06530	9.8
109.10147	29.0
111.08073	6.3
111.11716	1.7
117.06995	11.5
119.08567	35.8
121.06509	7.3
121.10143	31.8
123.08053	10.5
123.11691	12.6
125.09576	2.7
129.06969	1.9
131.04921	19.6
131.08556	25.2
133.06493	15.8
133.10117	25.7
135.04411	32.1
135.07980	5.1
135.11685	24.3
135.31802	1.6
137.05975	32.1
137.09569	2.3
137.13235	2.8
143.08533	1.9
145.06461	6.5
145.10115	21.6
147.11679	21.0
149.06004	2.4
149.09616	6.6
149.13254	10.7
151.07526	6.7
151.11174	2.4
157.10027	2.1
159.11717	7.7
161.05928	3.5
161.13251	8.6
163.07529	9.3
163.11188	4.1
163.14856	3.2
173.13243	2.8
175.07571	2.6
175.14798	4.0
187.14812	3.2
189.16409	2.9
201.16408	2.8
215.17989	2.5
228.00903	1.8
233.09735	1.7
239.21596	1.8
243.17467	2.3
263.16492	3.4
264.07565	1.7
271.24185	7.4
277.25372	1.9
279.00833	1.9
289.17990	8.5
289.25403	15.9
293.11807	3.2
307.18994	3.5
307.26205	7.7
310.55969	1.8
321.70010	1.8
325.14166	3.8
325.20010	2.0
333.97195	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
54.81524	0.8
55.01852	1.1
55.05494	5.0
57.03434	5.8
57.07073	5.4
59.04970	0.9
61.02911	4.7
65.03912	6.0
67.05494	66.7
69.03419	14.2
70.06570	0.9
71.04970	3.5
72.08131	1.8
73.02904	0.9
73.06527	1.8
81.03394	4.4
83.01324	0.7
83.04961	10.2
83.08594	0.9
85.02892	30.1
85.06528	58.4
86.03242	0.8
86.09694	4.0
87.04437	6.9
89.02343	0.8
91.05472	1.2
93.07030	1.2
94.75727	0.7
95.06065	0.7
97.02850	7.6
98.83080	0.8
99.04454	5.4
101.02366	1.3
101.06001	78.3
103.03899	3.3
106.89516	0.9
107.04945	1.6
109.02872	3.2
110.07137	3.7
111.04430	10.0
111.08047	1.6
117.06834	0.7
119.07040	5.0
122.06771	0.7
127.03942	5.2
129.05455	24.8
145.04930	3.4
147.06506	100.0
153.06593	1.1
164.07028	5.5
166.97385	0.8
167.60487	0.9
197.03838	1.5
244.27084	0.8
291.10803	1.3
326.07855	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	325.2734
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.02364	1.0
51.61151	0.9
53.00295	1.1
53.03941	4.7
53.55717	0.9
55.01859	6.4
55.05505	37.4
55.88916	1.0
57.03417	6.0
57.07069	13.4
67.05488	60.1
69.03408	1.9
69.07054	58.1
71.04961	4.4
71.08606	4.5
74.82880	0.9
79.05476	46.6
81.03407	2.0
81.07037	100.0
83.04955	10.4
83.05362	1.1
83.08588	20.4
85.02878	1.9
85.06525	5.4
91.05456	45.8
93.07021	57.2
95.04944	6.3
95.08579	65.5
97.02858	1.7
97.06528	8.1
97.10134	13.1
99.08064	5.5
103.05457	5.1
105.07010	38.6
106.44633	1.2
107.04926	2.1
107.08569	34.1
109.06493	12.3
109.10145	35.8
111.04406	1.0
111.08086	4.2
111.11710	2.3
115.05449	1.7
116.98633	1.4
117.06996	13.8
119.08561	34.8
121.06448	1.9
121.10117	33.5
123.08067	8.8
123.11662	9.8
125.09659	3.9
127.03951	1.5
129.06993	4.7
130.07739	1.4
131.04880	4.9
131.08546	27.6
133.06479	2.0
133.10104	19.1
135.04358	2.3
135.08052	1.6
135.11662	18.7
136.78085	1.1
137.05957	9.1
137.09607	2.0
137.13240	2.2
139.07471	1.3
141.06953	1.0
143.08493	1.4
145.10103	17.3
147.08069	1.5
147.11656	21.8
149.09596	6.0
149.13232	11.5
151.07524	1.2
151.11169	1.5
151.14745	1.8
159.11646	9.5
161.13196	9.6
163.07503	2.5
163.11119	2.3
163.14812	5.1
165.12784	1.3
167.10571	1.4
173.13158	2.2
175.07549	5.1
175.14781	4.7
177.16388	1.5
187.14845	4.2
189.16385	4.6
201.16327	1.5
201.21039	1.2
215.17856	4.7
263.16226	1.7
271.16824	1.5
271.24335	8.7
289.17999	7.1
289.25189	14.4
307.19016	2.2
307.26538	7.7
323.34833	1.4
325.14078	1.9
325.27249	1.7
332.39120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.81433	2.1
55.01860	14.7
55.05508	39.5
57.03431	5.0
57.07064	4.5
67.05492	45.5
69.03392	3.7
69.07053	43.6
70.98186	2.2
71.04984	2.3
72.77049	2.0
79.05478	45.7
81.03425	4.6
81.07039	100.0
83.04961	5.1
83.08589	19.2
85.06532	4.2
91.05450	25.9
93.07032	32.5
95.04948	14.1
95.08592	28.8
97.06512	12.6
97.10164	9.3
98.97593	2.6
99.08112	3.7
105.06998	27.2
107.04940	4.4
107.08564	20.1
109.06503	19.9
109.10140	12.1
117.07005	4.7
119.08555	20.1
121.06506	4.4
121.10157	9.3
123.08015	5.6
123.11684	2.4
129.64198	2.1
131.08559	11.8
133.10097	13.8
135.11681	10.0
142.64938	2.0
145.06596	2.3
145.10136	5.0
147.11652	5.5
149.09592	3.5
159.11702	9.5
163.11119	3.3
165.12721	3.8
207.89771	2.2
227.55223	2.4
247.33836	2.3
257.18762	3.4
275.19995	28.8
293.21054	2.7
294.44763	2.5
301.89682	2.5
307.22760	3.9
325.27252	19.7
325.31506	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.4
55.01858	16.9
55.05508	54.6
57.03418	4.6
57.07065	6.9
61.02914	4.9
67.05142	4.5
67.05491	100.0
69.03413	5.8
69.07058	29.9
71.04964	20.1
77.03949	3.2
79.05473	65.3
81.03400	13.1
81.07038	87.6
83.04965	16.5
83.08605	30.1
85.02890	17.5
85.06554	5.5
91.05464	70.1
93.07020	69.2
95.04948	61.6
95.08588	65.4
97.02864	11.8
97.06508	18.1
97.10117	3.5
105.07002	74.2
107.04948	18.5
107.08578	38.1
109.06496	12.4
109.10135	26.9
111.08085	5.1
117.07001	31.6
119.08557	50.3
121.06483	15.8
121.10113	27.9
123.08023	6.1
123.11665	5.9
125.09592	5.6
129.06944	3.9
130.07796	3.8
131.08571	24.5
133.10083	39.5
135.08035	5.8
135.11644	15.9
141.06979	4.1
143.08580	4.1
145.10104	41.4
147.08119	4.6
147.11700	17.7
147.83974	3.0
149.09595	41.9
151.11162	11.2
155.08455	4.5
157.10033	4.4
159.11681	17.0
161.09547	3.8
163.11111	41.9
163.12085	2.8
165.12666	4.8
169.10112	4.8
173.09537	5.8
173.13226	5.3
175.11057	4.1
183.11650	4.6
193.04930	6.0
197.13321	4.1
223.13275	17.2
229.19456	6.3
239.17934	5.9
257.18948	15.4
275.19995	71.4
293.21011	15.0
307.22586	10.9
347.97604	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74898	1.3
55.05506	18.2
57.03431	4.0
57.07061	8.3
65.03929	3.1
67.05145	3.8
67.05493	99.2
69.07053	14.1
71.04977	4.6
79.05473	80.8
81.07038	90.4
83.08608	7.7
85.06535	7.7
91.05463	38.7
93.07023	100.0
95.04945	9.5
95.08579	55.7
99.08071	4.7
104.86739	2.1
105.07002	24.4
107.08573	50.5
109.06474	3.2
109.10128	33.0
110.01192	2.1
117.06990	18.6
119.08522	19.0
121.10126	37.3
123.11692	12.5
131.08539	32.4
133.10101	21.7
135.08038	31.2
135.11662	42.7
136.08330	15.7
145.10094	26.3
147.11685	11.8
149.13231	19.2
159.11691	19.7
173.13220	16.4
175.14767	2.5
187.14815	3.6
205.19537	7.6
215.17934	53.9
233.18964	40.7
262.38312	2.1
274.41165	2.7
307.22537	4.1
325.23685	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	325.2373
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
53.03944	6.3
55.01871	12.0
55.05507	31.3
57.03434	2.1
57.07063	2.8
58.41246	1.4
59.05007	2.3
59.80446	1.5
66.45489	1.3
67.05495	54.6
69.03426	3.6
69.07055	23.9
71.04980	41.1
79.05478	47.5
81.03419	9.6
81.07042	100.0
83.04984	7.6
83.08591	12.4
84.11395	1.5
85.06516	3.6
91.05472	35.4
93.07027	36.0
95.04935	16.3
95.08594	36.4
97.06512	7.6
99.04488	2.0
99.08067	2.7
105.07016	35.5
107.04951	15.7
107.08565	20.5
109.06506	23.4
109.10157	11.2
111.04398	12.2
111.08074	3.0
113.09628	1.7
117.07034	9.5
119.08572	24.3
121.06484	12.0
121.10129	19.2
123.08035	11.7
123.11671	3.0
125.09601	3.6
125.67442	1.6
129.06999	7.3
130.07852	1.8
131.08539	17.2
133.10132	18.2
135.08066	6.7
135.11685	6.9
137.09599	6.6
145.10094	13.6
145.46121	1.9
147.11678	12.7
149.09634	9.4
149.13257	2.2
155.08582	2.1
157.10208	2.3
159.11697	10.2
161.13219	3.2
163.11166	3.5
165.12767	1.9
169.10043	2.0
171.11670	2.5
173.09602	1.5
173.13269	2.5
175.11119	2.9
193.04988	3.1
196.90523	1.5
201.12863	1.7
209.22899	1.6
247.20633	2.7
257.19003	3.9
275.19995	48.1
293.21039	11.3
307.22702	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73150	1.2
53.00309	1.4
53.03932	2.8
55.01860	2.3
55.05504	24.3
55.44866	1.4
57.03411	8.4
57.07061	12.5
59.04980	1.3
65.03902	1.8
67.05489	95.3
69.03389	2.9
69.07053	21.6
71.04970	3.2
79.05473	61.0
81.07034	100.0
83.04955	3.3
83.08582	10.9
84.08331	1.3
85.06508	7.6
89.22344	1.4
91.05453	36.8
93.07021	79.3
95.04946	7.5
95.08578	53.6
97.06493	7.5
97.10155	2.7
99.08057	3.4
105.07008	22.2
107.08573	47.3
109.06514	2.0
109.10129	30.5
111.08060	2.5
117.06978	14.3
119.08546	19.1
121.10118	33.8
123.11665	14.4
125.09630	1.7
131.08540	26.6
133.10123	22.7
135.11662	37.2
137.09573	3.1
137.13222	2.6
139.11104	2.1
145.10127	17.0
147.11659	11.4
149.02318	1.8
149.09549	2.8
149.13182	17.1
150.73233	1.7
159.11674	22.0
173.13231	13.7
177.12723	2.7
187.14755	3.6
193.04933	3.1
205.15843	1.8
205.19395	3.6
213.35614	1.6
215.17909	37.4
233.18962	32.8
251.19884	1.8
266.61111	1.8
270.42206	1.5
275.20093	2.3
279.15955	1.6
307.22565	9.3
325.23599	12.5
325.26987	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	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01870	4.0
55.05504	24.1
56.96561	3.3
57.03424	5.6
57.07055	13.6
59.04983	17.3
60.45263	2.2
63.48446	2.3
67.05144	4.1
67.05493	88.0
69.03378	2.9
69.07053	17.0
69.84293	2.7
71.04951	2.5
78.32235	2.4
79.05473	87.8
81.07037	100.0
83.04974	4.3
83.08591	6.4
85.02878	3.2
88.09785	2.8
89.03906	2.7
91.05453	48.6
93.07025	88.8
95.04955	16.0
95.08575	48.2
97.06506	12.3
97.10156	4.6
99.04260	3.0
99.08052	3.0
103.05447	5.7
105.07010	90.7
106.07323	19.2
107.04930	5.3
107.08566	56.8
109.06490	11.1
109.10124	24.5
116.98563	3.6
117.06993	18.8
119.08558	24.6
121.10130	45.0
123.08003	3.1
123.11681	13.4
127.85369	2.9
131.08549	27.6
133.06467	23.4
133.10100	17.6
134.06847	13.9
135.08035	37.5
135.11664	26.6
136.08376	13.6
137.09579	2.9
137.13235	4.1
137.35579	2.8
143.08434	3.1
145.10101	32.9
147.11679	14.7
149.13275	12.7
151.07544	5.0
159.07974	3.8
159.11678	16.8
173.13254	16.0
187.14764	3.1
205.15826	4.1
205.19556	3.6
212.25137	3.2
215.17941	38.7
233.18915	42.7
279.17731	4.1
280.18112	12.5
307.22443	3.6
325.23651	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46020	1.4
53.03931	2.3
54.67416	1.5
54.91145	1.5
55.01867	4.4
55.05509	24.8
57.03432	10.6
57.07072	4.0
65.03928	2.0
66.66670	2.0
67.05499	58.8
69.03437	3.5
69.07060	25.0
79.05480	54.3
81.03391	3.1
81.07043	78.4
83.05000	2.1
83.08580	4.3
85.02880	3.6
91.05476	24.8
92.67023	2.0
93.07030	46.1
95.04987	4.5
95.08012	4.2
95.08594	100.0
97.02858	2.6
97.06520	4.8
97.10125	7.6
98.97583	2.6
105.07026	23.9
107.04875	2.2
107.08581	26.4
109.06516	13.0
109.10159	18.5
111.04420	2.3
117.07018	12.2
119.08567	43.8
120.08895	17.8
121.10122	19.3
123.08012	11.0
123.11696	3.7
125.09608	4.0
127.03883	2.0
131.08582	15.9
133.06485	2.9
133.10141	10.3
135.08101	7.6
135.11713	14.7
137.09647	2.4
143.08565	2.6
145.10158	9.8
147.08066	3.9
147.11705	4.6
149.09595	2.7
149.13326	4.2
151.11165	2.0
157.10069	2.3
159.08052	10.4
159.10153	7.9
159.11685	4.6
160.08403	11.3
160.95207	1.9
169.10043	2.2
173.09583	2.3
173.13232	2.9
176.71333	1.8
183.11626	1.8
207.08604	4.5
215.17972	14.3
225.09779	8.6
233.19008	16.9
261.18433	2.5
272.17087	3.3
279.19583	2.7
289.17960	3.7
297.11737	2.5
307.19119	3.7
307.22690	2.7
325.20187	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.01861	2.2
55.05505	20.4
57.03426	11.0
57.06810	1.1
57.07061	7.8
67.05490	100.0
69.07059	13.6
71.04967	5.3
71.47485	1.2
79.05470	63.5
81.07037	88.1
83.08601	8.0
85.06526	5.4
91.05459	32.0
93.07018	76.3
95.04936	3.1
95.08580	60.6
97.06528	3.3
97.10133	1.5
99.08085	1.9
105.07012	22.9
107.08581	36.2
109.06487	2.2
109.10136	26.3
111.08099	2.3
111.11645	1.4
113.09624	2.6
117.06998	15.3
119.08571	16.7
121.10117	36.2
123.11676	13.8
125.09582	2.0
131.08533	26.4
133.10097	21.2
135.11671	38.3
137.09586	1.5
137.13240	2.7
145.10104	21.0
147.11647	11.8
149.09552	1.9
149.13242	18.6
151.11186	1.7
159.11662	18.3
161.13258	3.1
163.11147	2.5
173.13217	10.7
175.14685	1.5
187.14806	1.6
189.16333	2.1
205.15999	1.7
205.19518	2.6
215.17886	33.4
215.19731	2.0
218.03290	1.7
218.98596	1.4
233.18965	36.5
251.19905	1.9
303.98099	1.5
307.22543	9.7
325.23624	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.10235	1.9
53.03940	4.1
54.81405	2.1
55.01871	45.3
55.05508	79.0
56.96572	2.2
57.03434	10.5
57.07071	4.1
63.72260	2.0
67.05496	48.3
69.03423	10.5
69.07056	31.2
69.65912	2.4
71.04967	10.4
74.62824	2.4
76.48454	2.3
79.05479	53.1
81.03407	10.3
81.07037	51.0
83.04978	21.7
83.08604	36.6
84.98470	2.2
85.02887	11.0
85.06521	3.0
91.05460	34.5
93.07037	47.0
95.04939	18.3
95.08567	17.3
97.02874	5.7
97.06517	20.0
97.10154	29.7
98.97547	6.0
99.04404	2.6
105.07020	28.5
107.04950	14.8
107.08593	35.1
109.02903	4.4
109.06543	21.5
109.10139	15.8
111.04427	21.9
111.08064	5.9
115.05479	2.5
116.98587	5.2
117.06985	16.1
118.99166	2.4
119.08557	21.0
121.06482	51.1
121.10130	14.6
123.04453	5.7
123.08038	4.1
123.11712	3.6
125.02358	4.4
125.09597	11.3
127.07510	11.5
128.06125	2.6
131.08554	5.5
133.06413	5.2
133.10153	8.1
134.99599	4.1
135.08044	27.2
135.11688	16.1
137.09554	4.8
139.07521	88.1
145.06473	5.4
145.10115	5.2
146.53059	2.4
147.08023	3.1
147.11681	4.5
153.00729	2.9
153.09087	5.5
153.12756	3.3
157.10049	2.9
159.07993	4.4
163.07498	19.0
163.11090	17.7
165.09062	3.1
189.11185	15.4
191.10658	6.1
193.12215	100.0
216.92023	2.8
243.17311	3.0
261.03354	2.8
261.18463	18.3
271.16864	11.6
279.00748	3.0
289.17932	80.8
307.18979	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	325.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98517	2.9
52.62609	2.7
53.03931	5.8
55.01853	7.8
55.05499	21.7
57.03423	19.1
57.07088	3.2
59.04972	4.9
61.02917	6.8
61.55043	3.1
67.05489	29.4
67.28258	3.1
69.03420	28.1
69.07046	21.3
70.06560	4.4
71.01368	3.9
71.04956	3.6
72.08132	9.0
73.02879	6.4
79.05467	31.5
81.03403	9.0
81.07043	35.8
83.04969	8.4
84.08125	4.7
85.02890	63.8
87.04470	8.5
91.05465	49.8
93.07019	91.4
95.04929	12.4
95.08576	48.5
97.02850	15.6
97.06489	6.7
99.04412	4.6
103.03915	4.8
103.05457	8.2
105.07001	43.4
107.04935	8.6
107.08569	100.0
109.06483	26.8
109.10139	22.3
111.04416	5.0
115.03941	3.6
115.05397	6.0
117.07007	19.5
118.06563	4.2
119.06808	6.8
119.08561	51.6
121.06508	16.0
121.10120	73.7
123.04465	5.2
123.08051	16.6
123.11674	3.7
124.07564	5.5
125.35542	4.3
127.03861	6.6
128.06201	5.1
129.06955	14.5
131.04906	22.7
131.08537	19.3
132.05685	16.5
133.06491	7.0
133.10123	24.6
135.08066	8.8
135.11655	69.1
137.05962	59.1
137.09567	4.7
137.23177	3.8
141.07008	8.9
143.08528	15.4
145.04927	6.9
145.06537	5.3
145.10117	27.8
147.08028	39.0
147.11693	18.3
149.05925	4.8
149.09598	8.0
151.07471	13.1
157.10155	8.6
159.08054	4.0
159.11659	21.5
160.05203	15.4
161.09621	4.8
161.13190	7.1
163.03862	4.7
163.05875	7.5
163.07501	8.5
167.07027	7.3
169.06480	8.1
169.08627	5.0
169.10052	8.2
171.07983	5.8
171.11694	8.7
173.09612	14.8
173.13232	16.2
175.07487	79.1
175.11171	5.3
175.14781	22.0
183.11703	4.2
185.13185	5.3
187.07544	4.3
187.11153	5.7
189.09056	6.4
189.12737	4.5
197.09549	6.7
197.13211	5.2
203.14223	3.9
209.11650	4.7
213.12886	4.1
215.10674	14.2
227.14279	8.3
233.11664	4.6
243.17363	5.1
253.15739	5.5
271.16891	21.8
279.00275	4.2
289.17917	30.4
307.19083	33.3
325.14194	18.6
325.20090	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	325.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01867	23.3
55.05504	46.0
55.87634	2.0
56.96572	2.1
57.03429	10.9
57.07063	4.0
65.25043	1.9
67.05498	59.1
69.03424	9.2
69.07058	49.2
71.04974	8.7
79.05483	86.7
81.03401	3.3
81.07043	98.4
83.04963	16.9
83.08610	18.1
85.02888	3.4
91.05457	44.4
92.09289	3.8
93.07026	100.0
95.04967	22.5
95.08591	63.6
97.06510	18.6
97.43623	2.0
98.97585	8.5
105.04579	3.0
105.07012	32.4
107.04954	10.6
107.08577	42.3
109.06515	8.3
109.10159	2.9
111.04437	4.9
111.08096	8.4
114.91724	2.3
116.98624	4.0
117.07010	11.2
119.08553	16.5
121.06513	20.8
121.10115	45.7
123.11647	3.9
125.05965	3.2
131.08583	21.6
133.06464	8.7
133.10115	10.2
135.08060	10.0
135.11671	9.3
136.08339	2.3
137.05986	2.8
137.09613	3.0
139.07549	3.2
139.11154	14.0
145.10123	11.5
147.08130	2.9
147.11615	2.8
149.09631	8.6
159.10291	2.4
159.11607	5.1
161.09494	2.3
163.11192	3.1
167.10640	16.6
174.63512	2.2
181.21098	2.0
185.11691	29.6
216.97757	2.1
261.18515	14.7
279.00674	3.3
279.19617	23.5
282.85004	2.4
307.18988	11.8
325.20056	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01863	3.9
55.05503	12.6
57.03423	6.7
57.07056	1.6
59.32915	0.7
61.02908	0.8
63.00600	0.8
65.79621	1.0
67.05486	18.5
69.03416	2.3
69.07041	5.6
71.01327	0.9
71.04961	1.9
79.05473	40.1
81.03391	5.4
81.07037	100.0
83.04996	3.0
83.08584	4.6
91.05465	14.0
92.05787	1.1
92.08653	1.6
93.07024	21.4
95.04966	8.2
95.08587	18.0
97.06496	2.3
97.10126	2.4
101.88025	1.1
103.05418	3.5
105.06971	8.6
107.04913	2.0
107.08561	8.1
109.05815	1.8
109.06505	37.7
109.10157	1.4
111.08062	6.1
117.06959	3.2
119.08551	8.8
121.06489	2.0
121.10128	16.6
123.08035	6.1
125.09600	2.0
129.06950	1.1
131.04883	1.5
131.08534	5.5
133.10065	5.0
133.58208	0.9
135.07993	1.3
139.11086	1.2
141.09100	1.2
143.08484	1.1
145.10146	1.1
147.11600	1.0
149.05936	2.0
149.09578	4.7
159.07948	1.4
167.10612	2.2
188.14069	1.0
189.11134	1.0
249.59691	0.9
255.10841	1.0
261.18436	1.3
289.17892	7.8
290.18057	1.6
295.49484	1.0
307.18820	1.5
325.20020	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	325.2006
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03930	6.4
54.81301	1.0
55.01867	8.3
55.05506	21.5
57.03422	10.4
65.03908	2.4
67.05144	2.1
67.05489	48.8
69.03408	2.7
69.06716	1.4
69.07057	25.6
71.04976	9.2
71.66090	1.0
76.55489	1.2
79.05474	50.5
80.27219	0.9
81.03405	14.3
81.07039	100.0
82.68409	1.1
83.04967	10.8
83.08590	5.2
85.06520	2.2
89.58857	1.1
91.05457	28.6
93.07019	41.7
95.04952	11.6
95.08583	92.1
97.02909	1.4
97.06500	6.5
97.10152	2.4
98.97582	1.0
99.08091	1.2
105.07011	23.7
107.04936	9.2
107.08575	17.6
109.06493	32.6
109.07186	1.9
109.10131	9.2
110.46938	1.1
111.04375	2.6
111.08047	5.7
117.06997	9.2
119.04913	2.1
119.08559	12.3
120.87015	1.1
121.06483	6.5
121.10116	19.1
121.32413	1.0
123.08045	13.8
129.07022	2.5
131.04893	1.8
131.08534	12.9
133.06436	2.2
133.10118	12.0
135.04431	1.4
135.08051	5.6
135.11687	5.5
137.05977	1.8
137.09663	1.9
139.11131	2.3
141.06985	1.8
141.09094	2.2
143.08549	4.3
145.06506	2.2
145.10101	8.1
146.07277	1.4
147.08037	2.4
147.11678	2.3
149.05908	1.5
149.09613	7.1
149.13211	1.5
151.07549	2.0
157.10118	1.1
159.08043	2.3
159.10135	10.7
159.11601	4.3
161.09583	2.2
163.11151	1.7
167.10579	1.6
171.07874	1.3
171.11693	1.4
173.09642	1.9
177.09085	2.0
187.11179	2.2
208.69894	1.2
214.12312	1.1
215.17934	1.8
233.18980	2.1
243.17317	1.7
261.18350	8.6
271.16852	4.9
277.29950	1.2
279.00677	1.3
279.19525	6.8
289.17935	21.4
293.11719	1.4
307.18964	7.0
325.14197	2.1
325.20096	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	325.2007
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
51.10109	1.6
53.03933	8.1
55.01863	38.9
55.05505	75.4
56.24965	1.8
57.03426	24.9
57.07047	1.4
59.04973	2.4
65.03922	3.2
67.05491	89.9
69.03407	9.2
69.07053	22.8
70.28648	2.0
71.01326	1.8
71.04967	7.0
79.05473	79.3
81.03391	19.4
81.07038	93.5
83.04955	23.6
83.08617	18.7
85.06535	2.3
88.95271	1.9
91.05462	71.9
93.07019	56.4
93.07569	3.1
94.04142	2.5
95.04946	100.0
95.08588	36.9
97.02852	9.7
97.06496	3.7
97.10152	23.7
98.07294	2.0
98.97542	2.5
103.05466	3.2
105.07014	49.8
105.07664	2.9
106.07327	2.1
107.04942	71.5
107.08579	27.8
108.05726	2.5
109.06498	51.1
109.10140	42.4
111.08060	1.6
112.05212	3.1
115.05429	7.9
117.06989	27.8
119.04929	2.8
119.08543	31.6
121.06484	14.3
121.10088	7.1
122.07281	17.3
123.04430	4.2
123.08050	9.1
125.09617	13.5
128.06175	3.1
129.06969	10.2
130.95535	1.7
131.08562	23.5
133.06458	22.7
133.10115	8.1
134.06807	1.9
135.08029	19.6
135.11658	3.3
136.08777	2.1
137.05956	4.2
137.09596	71.0
141.07010	3.1
143.08549	9.3
145.06473	14.1
145.10104	13.0
147.07991	17.3
147.11661	2.9
149.09607	6.7
151.07564	7.2
155.08575	3.8
159.11687	3.5
161.09555	16.7
161.13280	2.2
162.10371	3.2
163.11163	9.2
165.09041	3.8
169.10010	2.4
171.11647	4.3
171.51366	2.0
173.13179	3.4
175.11122	2.0
177.09142	3.4
185.05099	1.9
185.13272	2.1
187.14755	7.1
189.11281	5.8
189.12785	2.4
197.13141	2.5
205.15887	7.2
215.14331	3.8
220.78574	1.7
233.15332	27.4
251.16428	7.5
261.14926	3.4
273.18503	3.6
290.18698	10.2
291.19604	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	325.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.7
57.03423	25.4
57.07070	6.7
67.05479	23.1
69.03404	23.5
69.07041	7.0
71.04981	100.0
81.03400	6.2
81.07029	6.9
83.08607	39.7
85.02886	55.9
85.06523	8.2
89.06012	94.5
92.09283	7.6
97.02850	9.3
98.94474	3.8
99.04452	4.5
108.26305	3.6
109.02871	5.3
109.10146	38.9
119.04898	4.8
123.44888	4.3
127.03886	16.9
127.11172	54.2
134.02705	3.9
137.14363	4.3
145.04987	8.4
145.12228	31.1
147.04381	16.3
151.07503	6.1
163.03903	17.3
163.13327	4.4
166.65057	4.3
175.07584	4.7
195.08029	7.2
234.16435	5.1
325.10458	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	325.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01630	3.3
55.01870	54.0
55.05511	39.0
55.62763	2.7
57.03424	39.6
64.00770	2.4
64.32821	3.8
65.03905	3.2
67.05492	71.6
69.03416	4.9
69.07058	31.9
70.75546	3.4
71.04961	5.0
73.02903	14.4
79.05483	57.4
81.03397	6.2
81.07039	100.0
83.04968	28.7
83.08607	11.6
85.02900	7.0
85.06521	7.0
91.05461	73.9
93.07032	47.6
95.04950	29.6
95.08585	59.3
97.06517	22.0
97.10130	16.1
99.04446	5.2
101.02361	22.8
105.07004	46.3
107.04964	4.9
107.08577	30.4
109.06511	28.9
109.10139	27.5
111.04432	44.3
113.05974	4.3
117.06987	15.9
119.08548	35.5
121.10086	22.7
123.08064	20.0
123.11693	13.7
125.05963	5.9
125.09602	3.6
129.05453	6.1
131.08554	12.9
133.10126	36.6
135.08069	6.0
135.11636	7.3
137.05980	16.8
137.09593	16.8
143.08514	5.0
145.10104	5.4
148.47227	3.6
151.11176	53.4
153.09087	5.1
161.09581	16.1
169.12212	28.9
173.09538	4.9
175.97990	3.5
179.10649	21.4
197.11694	66.1
197.13364	5.0
261.18604	5.8
263.16397	4.2
278.57239	3.2
279.19336	7.7
307.18994	11.7
325.19806	14.5
325.23526	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	325.2006
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03927	9.7
55.01864	23.5
55.05500	43.4
56.05828	2.5
57.03423	15.9
67.05492	75.8
69.03401	11.4
69.07053	29.4
71.04971	9.0
79.05469	51.0
81.03391	20.0
81.07038	63.7
81.07519	1.8
83.04953	24.8
83.08599	16.8
85.02867	3.8
85.06528	11.5
85.42226	2.3
91.05457	36.9
93.07021	41.4
95.04957	20.0
95.08604	21.7
97.06513	100.0
97.09570	2.0
97.10125	18.8
98.10477	8.7
105.07012	49.0
105.07677	3.6
107.04927	11.8
107.08580	43.9
107.39345	2.0
109.06506	16.4
109.10142	55.2
111.04440	2.7
111.08071	4.1
113.05985	3.3
116.98580	2.9
117.07001	15.1
119.08519	14.9
121.06474	5.1
121.10103	3.9
121.54842	2.0
123.04382	2.9
123.08048	10.4
123.11704	4.7
125.09598	14.1
126.09949	8.3
129.06970	3.4
131.04871	2.4
131.08537	14.4
132.25714	2.4
133.10101	46.5
135.07986	4.4
135.11644	9.3
137.05954	4.1
145.06465	9.0
145.10066	4.1
146.06825	2.7
147.11662	3.5
149.13306	2.3
151.11188	10.8
157.10037	3.8
159.08055	2.1
159.11649	4.2
163.11115	2.2
173.13060	2.3
177.12666	8.3
187.11201	3.4
189.11203	4.7
190.11514	3.4
219.49741	1.9
241.14247	9.7
271.16867	9.2
272.17282	12.3
289.17969	24.4
290.18335	3.0
307.18753	14.6
325.19949	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	325.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34748	0.7
50.68200	0.6
55.01849	0.8
56.96549	0.8
57.03420	1.6
67.05497	1.0
69.03423	3.2
70.06592	1.1
71.04971	0.9
72.08155	1.3
73.02877	0.9
81.07040	1.0
84.04495	1.9
84.08108	0.8
85.02892	9.1
91.05466	12.3
93.07024	1.8
95.04987	1.0
97.02850	0.9
99.04405	1.2
100.52218	0.8
103.05443	25.1
107.04928	1.9
108.05742	6.7
108.08115	3.1
109.06520	1.5
109.10136	1.0
115.05415	3.4
117.06959	0.7
119.04917	2.0
119.08541	0.9
122.03642	5.1
122.05959	0.9
123.08081	1.5
127.03947	1.3
129.07034	0.9
130.05008	6.0
131.04906	47.8
132.95747	0.9
136.05188	10.6
137.05957	44.8
140.89160	0.7
141.07007	1.6
145.05003	1.5
147.04381	1.7
148.35193	0.9
150.12804	1.6
151.07524	100.0
152.14339	6.1
160.05148	6.6
163.07500	51.2
172.05164	1.0
175.07509	17.7
186.06783	0.9
187.07526	5.1
189.09076	1.0
190.07764	1.4
201.09093	8.9
203.08447	0.9
204.09238	0.9
205.10149	5.7
215.08545	2.0
218.07225	1.3
233.09618	9.7
234.98961	1.7
235.07463	0.9
261.09070	4.6
261.11768	0.8
263.07056	1.1
265.12158	3.7
278.09344	1.8
293.11752	10.2
310.12106	1.4
325.14313	28.1
325.21033	1.6
336.19263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03424	2.3
59.45660	1.5
60.39166	1.4
67.05483	3.7
68.62303	1.8
69.03415	3.8
69.07042	2.1
74.92532	1.5
79.05476	7.6
81.07019	2.4
85.02882	7.3
91.05447	14.2
93.07015	2.3
95.04978	3.0
95.08595	2.6
97.06522	2.5
101.07790	1.6
103.05450	23.9
105.07050	14.9
107.04951	3.1
107.08543	2.6
110.09686	6.9
115.05428	3.0
117.06989	7.5
119.08645	13.5
120.58443	1.8
121.06496	4.2
121.10151	2.0
122.03646	2.9
123.01414	1.8
123.08044	1.7
124.07613	2.0
127.03915	2.8
128.06227	2.5
129.06958	8.9
131.04919	39.5
132.05685	7.7
133.06494	31.0
135.04399	65.6
135.08040	3.1
137.05963	78.0
138.09058	2.4
141.06995	3.0
145.06490	10.7
147.08054	17.1
149.05991	3.6
151.07526	12.9
157.06520	2.8
160.05182	8.9
161.05930	14.8
163.07487	23.6
166.08615	2.7
166.43132	1.7
169.06453	7.5
175.07503	57.2
175.08910	3.1
185.05969	2.0
186.06715	2.2
189.09059	3.4
201.09155	3.0
202.07681	2.5
261.09256	2.7
262.14325	2.9
290.13919	2.5
293.11481	6.7
308.14981	3.4
325.16455	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	325.1433
Annotation	Licarin B
Peak:m/z	Relative Intensity
51.56931	0.6
52.91499	0.5
53.03938	0.7
55.05488	0.9
55.82156	0.6
57.03432	1.1
61.66203	0.5
62.24804	0.6
65.03946	0.6
69.03398	1.5
69.07075	1.0
70.06573	1.1
71.04971	1.2
71.74863	0.5
72.08131	1.2
74.13995	0.7
79.05476	1.2
81.03411	0.9
81.07029	1.0
84.04483	3.7
84.08122	0.8
85.02902	8.2
86.06063	0.7
91.05469	13.3
93.06989	2.5
94.04197	0.8
95.04935	0.8
95.08584	1.2
97.02894	1.1
102.05510	0.8
103.05451	27.4
105.07026	2.7
107.04933	1.6
108.05717	6.4
108.08105	4.2
109.06537	0.6
115.05462	3.5
117.06970	1.1
119.04953	2.6
122.03627	4.1
123.08062	2.6
125.82278	0.6
127.03902	1.5
127.11195	0.6
130.04990	8.9
131.04910	47.9
136.05180	10.8
137.05965	46.2
137.07050	0.8
141.06993	0.9
144.05707	1.0
150.12773	0.8
151.07529	100.0
152.14317	9.3
157.06541	0.6
158.07346	0.7
158.97351	1.1
160.05185	6.1
163.07515	57.3
169.06453	0.6
172.05247	0.9
175.07527	18.4
186.06781	3.2
187.07541	9.1
189.09041	1.4
190.07721	3.2
190.52885	0.6
191.08232	0.8
196.16953	1.5
201.09071	7.4
205.10104	5.4
218.07266	1.3
219.01788	0.7
232.08821	1.4
233.09612	9.8
234.10362	0.8
235.07516	0.8
237.09099	0.7
240.07564	0.6
247.07491	0.6
249.09329	0.8
250.09848	1.0
261.09070	6.4
264.16110	0.7
265.12189	5.3
278.09338	1.1
281.18610	5.9
293.11630	12.2
294.12402	1.4
295.09564	1.0
310.12119	0.7
325.03775	1.0
325.14331	35.7
325.20755	6.3
328.35547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09613	1.2
53.00316	1.8
53.03935	1.3
55.01866	2.7
57.03445	1.4
57.38062	1.1
70.91743	1.0
74.70693	1.3
77.03882	1.2
78.04691	1.1
79.05479	17.5
81.07062	9.3
84.04959	1.1
91.05466	22.4
95.04951	4.8
96.35719	1.3
98.97529	1.8
103.05448	100.0
104.06245	24.5
105.07002	19.8
107.04938	67.7
107.08601	1.2
109.06503	2.2
115.05435	13.1
116.98571	1.9
117.07018	6.6
119.04925	6.0
120.05732	5.1
121.06513	5.4
131.04907	38.5
132.05679	16.8
133.06487	5.3
135.04372	12.0
135.08020	26.6
135.48680	1.1
137.05984	4.6
138.87532	1.1
143.08531	2.8
144.05692	2.2
145.06476	5.4
145.07526	1.6
146.07211	1.8
147.04401	9.4
148.05171	1.5
149.05971	9.2
151.07547	2.0
157.75797	1.2
160.05199	1.7
161.05937	18.3
161.09592	2.2
162.06729	90.8
163.07512	78.7
171.08025	3.0
173.05928	2.0
175.07527	7.8
187.07477	3.0
188.08328	5.5
203.10648	25.5
211.07478	4.8
221.05980	2.5
223.07512	7.1
237.05493	1.3
239.07106	1.7
241.08562	5.1
248.98741	1.2
251.07068	2.7
269.08035	5.7
284.10385	17.6
307.22324	1.7
325.14377	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	325.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76942	1.6
69.03438	2.9
69.07044	3.0
69.10560	1.7
79.05474	10.4
81.07034	2.7
85.02903	7.7
88.49132	1.9
91.05470	18.1
93.07018	3.6
95.04958	3.5
95.08598	2.5
97.06551	2.4
98.97587	2.3
103.05447	33.3
103.36603	2.1
105.07002	23.7
107.04933	9.8
107.08592	2.7
109.06495	2.4
110.09638	2.2
115.05444	10.9
117.07015	17.3
119.08565	13.8
121.06487	11.1
122.03649	8.1
127.03944	2.9
128.06181	2.6
129.06970	8.7
131.04898	61.0
132.05701	11.7
133.06476	42.2
135.04391	95.1
135.07964	13.5
137.05954	100.0
141.06973	2.7
143.04922	2.0
145.06450	14.9
147.08047	20.2
149.05977	11.9
151.07512	16.1
157.06480	7.8
160.05206	10.1
161.05962	23.9
163.07509	39.6
163.80074	1.9
166.08643	7.9
169.06488	8.6
173.06017	2.9
175.07494	67.5
177.90929	1.9
189.09055	3.5
233.09573	3.6
235.11230	3.3
262.14355	2.5
263.10660	2.9
290.13904	10.1
293.11673	8.4
308.14871	4.2
325.16556	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01865	3.0
57.03191	0.2
57.03428	3.5
57.81946	0.3
59.79817	0.3
61.02903	0.8
69.03416	17.9
71.01301	0.3
71.04980	5.1
72.08166	0.3
73.02896	0.7
81.02938	0.7
81.03400	16.5
81.07019	0.5
85.02872	0.7
91.05453	0.5
94.80979	0.3
99.04427	5.3
105.06973	0.4
109.10132	0.8
116.04958	0.7
117.05460	1.4
118.06520	5.7
127.11133	0.4
140.70285	0.3
145.07591	10.2
147.02255	0.4
147.09142	12.3
161.07013	0.4
162.07828	1.5
163.03896	0.5
163.08646	1.9
173.07069	16.6
175.08635	7.3
185.06981	0.5
191.08118	100.0
209.95168	0.4
215.11964	0.4
223.94417	0.4
225.10147	0.3
233.09149	1.5
289.11832	1.5
307.12854	17.8
325.13876	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23359	0.3
53.03941	2.6
55.01864	3.0
55.05505	0.3
57.03437	3.1
61.02908	0.8
62.39019	0.3
66.63398	0.4
69.03417	17.6
70.68909	0.4
71.01311	1.7
71.04976	5.6
73.02894	0.8
75.31548	0.4
77.14084	0.3
81.03403	16.1
82.12779	0.3
84.08147	0.5
85.02905	0.9
91.05466	0.8
97.84329	0.4
98.98140	0.4
99.04421	4.3
104.39869	0.3
107.64697	0.3
116.04953	0.9
117.05505	0.7
118.06519	7.1
122.03559	0.4
145.07590	9.9
147.09155	9.5
147.10220	0.6
159.24069	0.4
162.07938	0.5
163.08598	1.6
173.07071	16.4
175.08641	5.6
185.07060	0.6
191.08124	100.0
192.08476	0.6
205.09772	0.5
213.51985	0.4
220.50050	0.4
233.09196	0.7
251.74489	0.5
289.11819	0.9
307.12827	18.3
319.00409	0.4
325.09894	0.7
325.13882	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	325.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
92.09262	0.3
95.17088	0.2
97.26199	0.1
101.00819	1.1
110.36771	0.2
112.34391	0.2
116.98588	0.2
118.03492	0.2
119.01884	7.6
134.99785	0.7
137.02928	2.5
140.98804	0.2
142.03349	0.2
153.00862	0.4
158.99846	0.6
177.00902	18.7
178.00920	0.3
182.99792	0.3
183.02457	0.2
192.98935	0.3
193.04158	0.2
193.98817	0.2
195.01862	0.3
201.00856	1.0
210.99875	0.2
212.67789	0.1
216.98875	1.3
217.04007	3.9
218.03589	1.4
219.01944	33.8
220.02118	1.0
221.02206	0.2
222.97849	0.2
225.00702	1.8
233.55667	0.2
234.99910	7.5
236.00069	0.7
239.27312	0.2
240.98628	1.5
242.03519	0.2
243.01849	5.6
244.02026	0.2
249.98628	0.2
253.00980	2.9
258.99905	14.3
260.00226	1.3
260.04590	4.0
261.02982	100.0
262.03046	2.1
263.03354	0.3
264.98740	0.4
273.98483	0.7
277.00967	18.0
278.01031	1.4
279.00650	0.3
282.99911	20.5
284.00000	1.7
284.04532	2.6
291.99646	1.4
301.00961	44.5
302.01144	3.5
302.05612	13.8
303.05438	0.1
308.96774	0.2
319.01971	3.2
320.02032	0.2
324.02701	0.6
325.01431	1.4
343.01987	7.4
344.02170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.7
57.03426	1.0
57.07110	0.7
59.04998	0.9
61.37027	0.9
67.05495	4.9
69.03394	1.3
69.07053	1.4
72.00969	0.8
79.05483	6.9
81.07025	4.7
83.04980	1.3
83.08605	8.7
91.05466	10.8
93.07008	3.3
95.08597	1.2
97.10151	13.0
98.97555	1.6
105.07024	2.0
107.08569	4.2
114.97912	1.0
116.98611	2.0
117.06998	7.6
117.98770	0.7
119.04887	1.0
119.08562	100.0
125.09621	5.9
129.06998	3.4
133.06496	5.1
133.10120	1.1
134.99658	2.1
135.08038	7.2
143.08569	1.8
144.74478	0.9
145.10086	3.6
147.08035	5.8
157.78082	0.9
159.08017	46.4
159.11603	1.4
161.09613	1.3
173.09624	4.8
189.11217	4.5
253.15927	4.1
271.16904	18.5
278.00998	1.1
289.17905	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	324.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64049	1.1
55.01863	13.6
55.05506	100.0
57.03428	1.5
57.07066	1.5
58.42465	1.1
59.04991	2.3
61.44881	1.2
62.53030	1.2
67.05499	21.5
69.03410	10.4
69.07054	17.0
79.05473	25.8
81.07032	24.1
83.04961	7.4
83.08607	59.0
85.06522	1.2
91.05461	20.4
93.07028	15.4
95.04955	1.7
95.08572	5.2
97.06538	2.7
97.10153	98.0
98.97584	2.2
104.23495	1.3
104.79967	1.4
105.07037	3.1
107.04937	1.3
107.08569	35.0
109.06525	1.5
109.10143	5.3
111.08056	2.8
115.05489	2.0
116.98605	2.4
117.07000	27.7
119.08554	26.0
125.09612	70.1
131.08546	3.3
135.08040	10.5
143.08557	5.8
145.06465	31.1
145.10081	1.4
151.34462	1.4
153.09056	2.9
157.10136	2.5
171.10130	2.3
174.56119	1.4
189.11182	50.3
225.16327	2.4
243.17477	2.1
253.15837	1.6
254.88876	1.4
259.99792	1.8
271.16882	56.9
278.01212	1.7
289.17868	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	324.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84855	0.4
53.03934	0.5
54.81857	0.4
55.01852	0.5
55.05515	0.6
56.96542	0.5
57.03411	0.6
57.07068	7.7
59.04990	38.5
62.15332	0.5
67.05509	0.5
68.03245	0.4
69.07043	0.9
75.40304	0.5
79.05474	19.0
81.07050	0.6
86.69682	0.6
91.05444	1.1
92.16608	0.5
95.04940	2.6
98.97559	2.2
103.05448	10.1
105.07009	100.0
107.08573	4.3
109.06509	0.8
109.10134	0.5
115.11198	2.8
116.98604	1.1
127.54297	0.5
128.17589	0.6
133.06461	66.0
134.99573	0.7
135.08029	72.9
151.07515	19.6
151.08658	1.0
151.96977	0.5
173.15344	3.0
215.64406	0.6
221.61977	0.6
225.33624	0.6
278.01053	0.7
279.00742	0.6
279.17725	31.1
307.24799	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	323.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81738	2.0
55.05509	47.4
57.03410	1.6
57.07071	58.5
57.95790	1.6
67.05495	17.5
69.07059	100.0
71.08620	35.2
79.05472	7.6
79.35607	1.8
81.07042	42.3
83.08606	54.1
84.00083	1.8
84.42428	1.7
85.06525	8.8
85.10175	17.1
91.05461	8.2
92.08719	2.9
93.07009	17.1
95.08585	42.6
97.06517	10.5
97.10159	35.3
98.97614	2.4
105.07005	16.8
107.08578	20.5
109.06493	2.4
109.10137	24.9
111.08082	2.8
111.11692	13.5
115.07565	4.1
119.08557	15.2
121.10078	17.5
123.08076	2.7
123.11692	16.1
125.13193	3.7
129.80791	2.3
133.10094	17.7
135.11676	8.6
137.09622	3.9
137.13226	8.6
139.14720	2.4
141.09105	2.4
147.11684	18.1
149.13286	2.9
151.11176	4.7
161.13258	14.3
165.12738	9.7
169.12224	2.9
179.14279	10.9
183.13731	2.5
189.16354	2.3
197.15192	3.2
249.22142	2.3
254.03598	2.2
263.47861	2.0
280.24341	2.0
287.27200	9.5
305.28415	2.6
315.03659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1053
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
52.61193	1.1
53.36026	0.9
56.96555	1.5
69.03423	1.5
71.04951	1.2
73.02911	1.3
81.07038	2.8
85.02890	2.5
85.06509	1.5
94.76373	1.4
96.35909	1.3
98.97501	1.4
99.04430	7.2
109.02868	2.1
114.37206	1.3
117.05408	1.4
127.07536	6.5
137.05943	7.1
145.08586	2.5
147.04378	2.1
153.05406	1.6
162.05385	2.8
189.71442	1.3
195.00671	1.2
324.10464	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	324.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81562	0.2
55.05510	0.4
57.07075	0.2
58.97894	0.2
61.45525	0.2
65.15185	0.2
67.05489	0.2
69.07056	0.5
70.04063	100.0
73.06537	0.4
76.55804	0.2
79.05492	0.3
81.07034	0.4
92.09345	0.2
95.08550	0.3
97.06504	0.3
103.05479	0.2
105.07003	0.3
112.13979	0.2
116.06236	0.3
123.11642	0.2
125.01527	10.5
126.68658	0.2
128.06195	0.9
129.06966	0.4
130.07770	0.4
139.03099	2.2
143.08580	0.3
144.09334	1.2
145.06464	0.3
151.03067	3.2
163.03065	1.2
165.04649	0.7
177.04718	0.2
179.06172	2.1
181.04079	1.8
183.67650	0.2
198.47122	0.2
324.14679	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
56.92322	0.2
57.03420	0.9
61.02913	0.3
67.05489	11.3
69.03403	0.5
69.07052	12.7
71.04973	3.5
71.38517	0.2
73.02901	0.4
73.85925	0.2
77.11324	0.2
81.03394	0.4
81.07035	4.6
83.08595	0.3
85.02893	4.5
95.01329	0.3
97.02871	0.9
97.06482	0.2
99.04478	0.2
107.08566	0.3
109.02904	0.3
109.10138	100.0
110.10482	0.2
127.03853	0.4
127.07549	1.0
127.11166	31.7
133.04968	0.4
145.04889	0.3
145.08577	0.2
145.12267	0.4
147.04401	0.2
166.90472	0.2
177.05592	0.3
179.05624	0.2
220.53036	0.2
233.00795	0.2
277.81635	0.2
324.10583	1.1
346.22656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
52.29452	1.6
55.05507	21.7
56.96552	2.6
57.03414	4.1
57.07060	14.5
57.52961	1.7
65.03951	2.1
65.33846	1.8
67.05494	38.5
69.07056	27.9
71.04961	3.8
71.08604	4.4
73.69773	2.1
79.05482	29.8
81.07039	100.0
83.04974	2.9
83.08606	19.3
85.10139	3.3
87.26294	2.1
91.05463	25.2
92.05782	4.1
93.07024	58.9
95.04947	3.7
95.08582	78.2
97.10132	9.8
98.97599	17.0
100.07599	4.6
105.07024	32.5
107.08587	59.6
109.06496	5.2
109.10134	47.2
111.08049	2.6
116.98631	17.0
119.08575	25.0
121.10133	28.7
123.08071	3.4
123.11691	19.9
133.10107	44.6
134.99615	10.8
135.11697	27.9
137.09584	9.4
139.11095	2.6
147.11633	18.1
149.13243	21.7
151.11183	3.2
159.11662	12.4
160.12057	3.2
161.13255	4.2
163.14774	8.7
175.14664	3.0
189.16338	2.8
201.44522	2.0
203.17897	2.5
258.99789	4.6
259.05954	2.3
259.24124	21.6
277.00964	15.2
277.25259	15.3
305.24734	31.4
310.34222	2.2
323.25650	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	323.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89304	1.1
60.11206	1.4
60.30967	1.2
81.07037	1.6
92.08630	3.0
93.37714	1.3
189.91885	1.4
195.05594	1.2
199.34315	1.4
320.87616	1.7
323.19543	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	323.2214
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
50.91922	1.4
52.49910	1.5
53.03926	7.8
53.69684	1.5
55.01669	1.5
55.01866	26.2
55.05503	28.7
56.96539	2.8
57.03426	30.8
57.07042	2.1
63.00320	1.6
65.17168	1.9
66.78182	1.5
67.05490	58.2
67.18162	1.6
69.03420	3.6
69.07050	13.3
71.04961	9.3
79.05053	3.3
79.05470	60.4
81.03384	9.5
81.07039	100.0
83.04964	40.1
83.08595	12.5
85.02881	4.4
85.06534	28.5
91.05469	29.1
93.07020	40.4
95.04946	45.5
95.08585	21.5
97.06515	9.8
97.10119	9.0
98.97571	28.3
99.04417	3.0
103.05446	1.9
105.03372	2.1
105.07027	22.5
107.04932	11.4
107.08573	31.6
109.06496	35.6
109.10131	10.4
111.04435	45.6
111.08062	17.2
113.05996	34.9
116.98596	21.8
117.07011	20.7
119.08573	25.4
121.06463	10.2
121.10144	18.2
123.08059	10.5
129.06969	8.0
130.07664	2.1
131.08534	14.5
133.06468	3.7
133.10129	4.5
134.99599	17.7
135.08017	18.7
135.11710	15.2
137.09550	2.0
143.08492	3.4
145.10121	21.4
147.08028	10.7
147.11658	2.5
149.09613	9.3
153.00694	2.3
153.12724	17.4
157.10138	3.7
159.11673	2.7
161.09610	4.2
163.11124	21.1
169.61812	1.9
173.09575	2.3
175.11153	1.9
181.12167	14.5
191.10641	11.2
218.95268	1.9
221.70375	1.9
227.12762	13.3
258.99719	9.4
273.18372	24.9
277.00681	28.2
291.19482	75.3
291.22702	2.8
305.21130	4.3
330.29871	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80986	0.8
53.00307	1.3
53.03930	0.9
55.01861	6.0
55.05507	35.6
57.03417	1.4
59.04982	1.1
60.08464	0.8
62.06080	22.3
67.05496	26.4
69.03406	6.4
69.07055	25.8
71.04987	1.7
72.56165	1.0
79.05473	23.8
81.03392	4.9
81.07044	23.0
81.07490	1.7
83.04965	1.9
83.08605	14.6
91.05469	15.3
93.07025	18.5
95.04933	8.8
95.08583	12.9
97.02866	5.9
97.06528	1.4
97.10156	19.5
98.97575	4.1
105.04522	1.2
105.07005	11.6
107.04933	5.3
107.08585	14.4
109.06499	3.7
109.10131	4.4
111.08064	1.5
116.98563	4.5
117.07008	6.1
119.04923	1.4
119.08548	9.8
121.06490	4.2
121.10107	4.7
123.08028	4.1
125.09615	12.4
129.06981	1.6
130.07773	1.2
131.08569	8.2
133.06451	5.0
133.10104	3.6
134.99629	1.2
135.04407	1.0
135.08018	4.7
143.08554	2.1
145.10127	5.0
147.08044	5.5
149.09641	1.4
159.11671	1.1
161.09572	1.5
203.12811	4.0
223.13297	12.2
249.14859	3.8
258.99670	1.0
273.18488	6.1
277.00818	4.9
277.36502	0.9
289.10931	1.1
291.19495	100.0
305.21063	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	323.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63025	0.9
55.01887	0.7
55.05508	1.4
56.96546	1.1
67.05489	1.1
69.74438	0.8
72.08157	0.8
81.07027	3.8
85.02902	0.9
87.10840	0.8
91.05441	1.6
92.08683	1.0
93.07023	1.4
95.08580	1.5
98.97571	3.3
105.07004	1.6
107.08599	0.9
109.10097	0.9
116.98605	1.7
121.06525	1.2
123.83520	0.8
134.99634	1.1
137.05972	1.9
192.82469	0.8
258.99429	0.9
283.06204	3.3
306.42108	0.9
323.14624	100.0
323.18039	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	323.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.9
56.96527	1.4
57.03422	3.8
57.07057	1.3
62.66123	1.2
67.05474	5.7
69.07072	1.6
70.01626	1.3
79.05468	7.2
80.27074	1.6
81.07018	10.5
82.86820	1.4
83.04936	1.4
91.05457	7.0
92.81579	1.5
93.07024	7.3
95.04947	3.5
95.08547	1.7
97.06499	2.4
98.97543	10.3
99.14419	1.4
105.07001	7.0
113.05994	1.5
116.98582	10.4
117.07022	2.6
119.08516	3.3
119.28910	1.4
121.10104	2.5
134.99612	3.5
140.18382	1.5
147.11629	1.9
198.06439	1.6
222.85503	1.9
258.99673	2.6
277.00766	8.4
287.16296	2.6
305.17410	3.7
323.18204	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	323.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
56.96544	5.1
59.91090	2.2
60.93873	2.1
66.01771	2.2
66.94730	2.2
67.05483	4.0
67.44407	2.0
79.05473	5.3
81.07014	10.9
91.05445	4.8
93.07029	4.2
94.04158	4.4
98.97549	10.9
105.06999	16.5
109.06530	4.6
115.05449	3.6
116.98591	12.2
119.04892	2.7
119.55074	2.4
122.03643	14.3
128.26059	2.5
133.06499	4.9
134.99657	3.5
137.05962	100.0
145.02849	2.7
146.03609	10.0
161.05952	50.1
184.05128	5.6
191.08563	3.5
192.09294	4.1
199.07449	21.9
202.07726	23.9
203.08536	37.0
219.08057	10.3
220.08836	12.6
230.07193	4.2
231.08008	51.1
232.08783	14.2
235.11067	3.2
239.32498	2.6
247.07550	6.1
248.08261	27.3
249.09148	3.4
258.99802	3.0
259.07556	36.2
260.08249	21.9
263.10651	24.1
265.08652	2.5
275.06998	3.2
276.07715	19.9
277.00717	5.0
277.08478	12.0
285.10077	4.4
291.10110	54.9
292.10843	5.2
323.12485	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
57.03416	0.7
58.06583	0.8
63.32760	0.5
69.03401	0.8
69.07048	0.8
70.06567	1.4
71.08604	0.7
72.08144	48.8
73.41150	0.5
75.09232	1.1
79.95125	0.5
81.03416	0.6
82.62399	0.6
83.04965	0.8
84.04501	2.2
84.08114	2.7
85.02882	1.1
89.03896	6.7
91.05440	0.6
98.09633	0.6
98.97597	0.6
100.02182	0.7
100.07581	3.0
109.02889	0.9
112.11238	6.2
112.72431	0.6
114.36657	0.7
117.03367	23.6
120.08102	0.8
123.05534	0.7
125.05978	0.8
129.13863	2.8
134.03616	2.8
135.04367	2.2
142.03273	0.8
143.06996	2.2
145.02840	89.7
146.16484	3.6
149.05972	11.1
162.02977	0.6
173.07071	0.8
177.05447	100.0
180.88483	0.6
234.11221	43.9
251.13902	4.6
305.18546	20.1
322.21222	28.0
322.24689	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52839	0.2
54.03453	0.3
55.01863	1.1
55.05487	0.3
56.05027	0.3
56.39983	0.2
56.96547	0.5
57.03433	0.4
58.02958	0.2
60.04511	1.5
69.03411	0.6
70.02940	0.5
70.06577	1.7
71.06900	0.4
72.08132	2.9
73.02893	0.3
73.08463	0.5
80.04998	4.3
81.03415	0.4
81.04533	0.3
82.02934	0.5
83.04957	0.2
84.04471	0.6
84.08128	2.1
84.29135	0.2
85.02885	1.3
86.09686	0.4
94.02922	0.3
96.04478	0.2
97.02869	0.6
98.97556	0.4
99.04427	0.3
100.03953	1.6
103.03920	0.3
105.53282	0.2
109.02847	0.3
111.04428	0.3
112.11200	0.3
116.07097	0.5
116.98612	0.9
117.03367	0.5
123.05524	100.0
127.03900	0.3
129.10176	0.3
130.06516	1.7
135.05505	12.6
137.05940	0.4
143.07008	0.5
144.04771	1.7
144.06523	0.2
145.02792	2.4
146.03177	0.3
146.05991	0.5
147.04405	0.5
149.05920	0.3
151.04987	2.3
156.04532	0.4
158.05972	3.7
160.13329	1.3
161.13673	0.3
163.04965	2.2
173.07060	1.5
174.05438	0.4
177.05418	2.9
178.05824	0.9
180.07640	14.0
185.72371	0.2
194.10849	0.2
198.08771	1.0
211.94171	0.3
218.94318	0.2
234.11237	0.5
235.11702	0.3
259.13632	0.2
277.43204	0.3
277.73468	0.3
305.14542	0.3
323.11670	14.3
323.21765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01871	17.2
55.05502	8.8
57.03434	14.5
59.05001	2.4
62.84092	1.8
65.03932	2.5
67.05494	15.1
67.97406	1.5
69.03420	26.9
69.07036	8.8
70.06568	10.5
71.01321	1.7
71.04971	4.1
72.08139	8.4
73.02892	10.7
73.03256	1.7
74.06036	2.0
79.05478	68.3
81.03395	7.6
81.06606	3.7
81.07047	77.9
82.96828	1.6
83.01318	8.6
83.04958	11.2
84.08133	6.9
85.02895	34.1
86.09690	6.9
87.04464	2.6
91.05466	19.2
92.63374	1.6
93.07026	17.1
95.01317	26.4
95.04961	29.7
95.08568	6.6
97.02869	11.1
97.06501	18.5
98.97562	3.8
99.04436	4.1
101.02369	31.3
103.03918	3.7
103.05466	3.0
105.07010	10.3
107.04926	22.2
107.08585	12.5
109.02856	3.4
109.06501	32.0
111.00791	2.5
111.04429	4.1
111.08068	8.0
113.02367	10.0
115.05384	2.0
117.03317	3.2
117.07021	8.8
119.04940	3.6
119.08558	4.2
120.07984	2.1
121.06484	17.7
123.04415	9.0
123.08020	4.0
125.02335	2.7
125.05981	19.5
127.03876	2.9
127.07558	2.3
129.01784	2.1
130.06503	2.1
130.47748	1.7
133.06454	10.7
135.04385	10.2
135.08063	13.7
137.05960	40.2
139.03867	3.4
139.07533	30.4
141.01817	10.1
141.05435	6.8
143.03459	2.6
144.74016	1.7
145.02789	8.7
145.06403	2.0
146.03169	2.2
147.04359	7.8
149.05980	10.6
151.03876	2.0
153.05414	7.3
153.24298	1.8
155.03307	4.1
155.07021	11.0
160.07564	4.4
161.05911	8.0
163.07507	18.5
165.05432	7.3
165.09094	3.4
167.03380	3.1
167.06987	37.9
173.12851	1.9
177.05411	12.2
179.07050	7.1
181.08577	19.4
183.06479	2.0
185.04701	1.8
189.05452	21.6
191.07011	16.4
193.08572	6.6
195.02757	6.3
199.09637	100.0
209.08063	24.6
219.06487	4.2
223.09599	4.4
227.09145	33.5
229.07022	15.0
234.11108	2.2
237.07449	8.8
241.10631	8.7
251.09059	6.6
255.08582	30.1
269.10162	20.2
287.11200	2.4
335.08774	2.0
337.84659	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	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
56.96549	1.7
57.03439	1.6
57.47176	0.9
58.76847	0.9
67.05478	1.1
67.97114	1.1
69.03416	8.4
70.06568	1.1
72.08142	1.9
79.05475	10.5
81.03394	9.6
81.07038	20.8
83.04957	2.4
85.02896	8.0
86.09686	1.8
87.04449	1.1
91.05464	8.4
93.07022	5.7
95.01315	3.9
95.04949	12.7
97.02895	1.9
97.06507	6.7
98.97550	1.5
104.99285	1.2
107.04941	6.0
107.08560	1.1
109.06503	17.8
109.07180	1.2
111.08096	1.3
116.98630	1.5
117.03372	1.3
118.10574	1.1
119.04951	2.6
121.06543	1.6
123.04370	1.5
125.05993	9.9
125.96789	1.0
135.04382	3.7
137.05962	67.3
139.03856	1.7
139.07491	8.0
145.02867	4.8
147.04391	4.0
149.05972	2.6
153.05469	1.3
163.03899	2.2
163.07600	1.9
165.05507	1.5
167.07002	49.7
169.32068	1.0
171.06488	1.8
172.08679	1.2
172.74866	1.1
177.05429	6.1
179.06911	1.2
181.04910	8.0
183.06459	1.2
190.09747	6.5
191.06952	1.5
193.08684	5.1
195.06523	6.6
209.08043	4.6
227.09097	76.5
228.11269	5.0
229.07010	4.3
237.07567	1.5
255.08580	100.0
256.10776	6.1
257.03540	1.3
274.11887	5.5
290.12073	1.1
304.13034	2.4
322.13919	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	322.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01854	1.2
55.05500	2.1
56.05022	2.2
56.96567	2.2
57.03437	2.7
58.04314	1.1
58.06594	4.9
59.04994	2.1
60.04515	14.3
61.02896	1.5
69.03422	13.9
69.07058	51.5
70.06579	39.7
71.01341	2.6
71.04984	2.1
71.08620	13.9
72.04485	2.0
72.08141	84.2
72.52131	1.0
73.02910	1.3
75.09211	4.8
76.68530	1.0
79.05473	2.2
80.05005	1.8
81.03401	8.0
81.07012	1.8
84.04488	13.3
84.08136	7.3
84.57369	1.1
85.02889	28.8
86.06046	1.6
86.09685	12.5
87.03188	2.9
88.03957	1.2
89.03915	7.9
94.33884	1.2
96.04480	12.9
96.08102	1.7
97.02865	33.5
97.06476	9.1
98.06018	5.6
98.09679	8.2
98.97585	1.4
99.04431	2.3
100.07607	2.5
100.11263	2.0
102.05527	1.4
103.03952	1.5
109.02857	5.1
109.10247	1.3
111.04446	7.3
112.11211	17.0
113.03024	1.4
114.05521	7.3
114.09140	17.0
115.07553	17.2
116.07084	12.3
117.03361	33.3
123.05558	7.1
125.02367	5.6
126.05500	6.5
127.03899	6.2
128.07079	1.4
128.10727	5.8
129.02487	1.5
129.13846	10.6
134.99693	1.8
135.04395	1.8
137.05922	1.7
138.09174	1.2
142.03256	8.7
142.08623	44.1
143.07016	16.0
144.06580	11.1
145.02827	100.0
145.04700	2.4
146.16505	14.1
149.05971	12.8
150.96904	1.1
160.04297	12.4
160.06065	1.8
160.09669	20.5
162.07585	5.4
164.10678	2.2
166.04967	1.4
172.06013	1.8
177.05440	98.6
184.09654	11.2
202.10640	2.2
207.54640	1.4
208.09763	1.5
234.11220	34.3
234.13226	1.3
240.12270	7.1
251.13907	6.0
258.13318	24.5
276.14328	6.9
277.70190	1.3
286.12830	11.7
304.13861	18.4
305.18497	19.6
322.09570	2.6
322.15176	8.3
322.21179	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49107	2.0
55.05494	10.1
56.05042	3.0
56.74578	2.1
57.03423	11.5
59.04995	4.3
60.04512	50.7
61.02898	3.5
61.65088	2.1
62.88721	2.0
69.03415	12.6
69.07056	100.0
70.06576	3.9
71.08617	26.9
72.04508	2.8
72.08134	8.5
73.06538	2.9
81.03402	5.0
83.04980	2.4
84.04496	12.6
85.02892	49.2
85.03371	3.0
86.02417	4.5
92.09238	3.1
96.04480	11.6
97.02867	55.4
97.06528	23.4
98.06042	9.8
99.04442	2.6
109.02866	3.7
114.09153	34.8
115.07557	50.2
119.72163	2.4
125.05986	4.4
126.03999	2.2
127.03910	10.1
128.75056	2.1
142.08611	66.5
143.07037	45.5
144.06570	14.1
145.02858	12.4
160.09676	37.6
162.07620	9.3
167.07028	2.9
173.76552	2.2
177.05460	16.1
184.09628	25.6
202.10718	4.0
234.11192	3.2
304.13705	2.4
322.21191	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	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03513	2.8
53.03929	6.7
55.01862	23.7
55.05502	11.3
56.96532	2.5
57.03424	15.4
59.04970	3.1
61.02898	2.4
67.05492	16.2
69.03418	39.7
69.07051	14.0
70.06587	5.4
71.04971	6.9
72.08138	17.1
73.02901	18.0
79.05474	78.0
81.03404	5.5
81.07037	76.2
83.01351	9.8
83.04969	14.3
84.04485	4.8
84.08130	4.9
85.02892	51.1
85.06526	4.9
86.09697	11.1
87.04470	2.5
91.05473	23.1
93.07033	21.2
95.01311	41.8
95.04939	37.0
95.08559	4.5
97.02888	14.8
97.06526	23.4
98.97573	4.2
99.04442	5.0
101.02366	40.2
103.03933	14.7
103.05436	2.7
105.07015	13.1
107.04964	27.0
107.08591	14.5
109.02880	6.1
109.06504	40.9
111.00835	4.2
111.04442	4.8
111.08072	10.5
113.02353	11.7
116.98629	4.3
117.03390	4.1
117.06986	4.8
119.04881	3.9
121.06482	22.4
123.04402	16.8
125.05952	23.4
125.09625	4.6
127.03883	4.4
127.07578	3.3
129.01797	3.1
129.06993	3.1
129.64932	2.8
133.06502	6.0
135.04395	16.1
135.08035	24.0
137.05962	46.9
139.03889	5.5
139.07495	30.8
141.01826	3.7
141.05414	5.8
145.02843	6.4
145.06567	3.5
147.04413	6.2
147.08070	2.9
148.04790	2.8
149.05968	18.5
151.07579	3.2
151.22253	2.6
153.05460	6.6
155.07014	12.3
161.05862	10.4
163.07489	26.7
165.05511	5.6
167.03452	4.3
167.07011	46.0
177.05362	20.7
178.05711	3.1
179.07077	4.0
181.08582	25.1
183.06563	3.1
189.05475	20.9
191.07030	23.5
193.08597	6.7
195.02884	4.7
199.07808	4.8
199.09637	100.0
209.08157	27.5
219.06525	5.2
221.08086	4.2
227.09097	53.8
229.07074	19.6
237.07530	12.3
241.10712	18.0
251.09201	4.1
255.08588	52.1
269.10159	24.5
287.11240	6.7
322.16437	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	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01860	10.2
55.05498	8.7
57.03434	15.5
61.60550	1.5
62.47017	1.4
65.03942	2.4
67.05487	10.7
68.49844	1.6
69.03408	16.9
69.07052	11.1
71.01335	1.8
71.04944	1.3
79.05473	55.0
81.03394	2.6
81.07038	66.1
83.04974	4.0
85.02901	12.4
91.04922	2.7
91.05449	25.3
93.03357	3.5
93.07020	12.2
95.01295	25.6
95.04935	18.6
95.08582	2.0
97.06508	30.9
101.99982	1.5
105.07007	7.7
107.04942	8.3
107.08597	9.6
109.06501	38.4
111.04455	2.4
111.08039	2.7
113.02360	9.6
117.07015	3.7
119.04920	4.0
119.08550	20.9
121.02793	1.5
121.06496	7.7
123.04391	2.4
123.08034	2.4
125.02357	2.6
125.05962	3.0
129.01904	2.0
129.06979	6.8
131.08546	3.8
135.04324	2.5
135.08018	8.6
137.05968	9.3
139.03865	12.6
139.07516	3.1
141.01849	6.4
141.05435	2.6
145.06393	1.9
147.08009	14.9
151.03915	2.6
151.07523	2.6
155.07030	3.9
155.55820	1.8
161.05943	2.5
163.07571	13.0
165.09068	28.9
167.06973	3.5
167.20641	2.0
175.07391	2.4
177.05347	1.9
181.08565	10.3
183.10104	3.3
191.07002	3.2
193.06926	2.7
193.08549	24.2
197.04515	3.8
197.99498	1.7
199.09573	9.1
209.08102	7.9
211.09633	11.7
227.09143	3.5
237.07518	2.3
255.05887	3.5
255.08568	100.0
273.09695	6.8
290.12256	11.3
322.14746	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	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01865	14.0
55.05502	9.8
57.03180	0.9
57.03431	17.7
60.47390	0.6
61.02906	1.3
65.03925	1.9
67.05493	13.8
68.99761	1.1
69.03417	14.7
69.07053	11.1
71.01331	1.8
71.04974	1.2
73.02883	1.6
73.69808	0.7
79.05474	50.7
80.51447	0.8
81.03413	3.1
81.07040	77.4
83.01325	1.5
83.04979	6.0
83.08589	0.8
85.02892	14.7
86.66227	0.7
87.00825	0.9
91.05460	21.0
93.03418	1.6
93.07030	18.5
95.01310	23.8
95.04935	16.2
95.08569	3.5
97.02870	4.6
97.06512	31.3
99.04426	1.5
99.08061	1.1
101.02348	1.6
102.43290	0.8
103.05447	1.4
105.07002	7.6
107.04942	10.6
107.08606	6.6
109.02871	2.9
109.06507	35.5
109.10106	2.9
111.00790	1.8
111.04412	4.9
111.08065	5.9
111.19930	0.7
113.02319	5.9
115.05451	1.6
117.07004	9.7
119.04926	7.9
119.08564	17.3
121.02831	2.9
121.06495	10.4
121.10184	1.0
123.04417	6.2
123.08006	6.1
125.02350	2.8
125.05996	7.7
127.07533	0.8
129.01836	1.0
129.06978	5.0
131.08545	4.9
132.05687	1.2
133.06479	3.6
135.04404	3.1
135.08037	9.8
137.05957	9.8
137.09593	1.8
139.03893	13.1
139.07541	3.7
141.01776	9.2
141.05453	4.0
145.06467	4.0
147.08058	13.4
149.05966	6.6
151.03922	1.4
151.07529	3.8
153.05455	1.5
153.09061	0.9
155.03419	0.9
155.07013	6.5
159.02911	1.0
159.11571	1.3
161.06013	2.6
163.03819	1.1
163.07523	14.0
165.05478	1.5
165.09100	32.4
167.07028	4.4
173.04442	1.4
173.05893	2.9
175.07498	4.9
179.06989	1.9
181.04924	1.0
181.08569	11.7
183.10143	3.8
191.06995	6.0
193.08568	20.5
193.10121	1.0
197.04401	6.2
199.09624	17.0
209.08020	8.8
211.09648	12.7
219.06622	1.7
225.07545	0.9
227.09100	8.9
237.07494	6.9
255.08589	100.0
269.10144	1.6
273.09668	8.1
287.11038	1.0
329.67160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.00305	4.8
53.03939	3.1
54.36845	2.3
55.05502	26.2
55.71308	2.8
57.03430	13.9
57.07074	6.4
58.24858	2.7
65.03933	3.6
67.05491	78.8
69.07048	22.8
71.04971	4.5
71.08242	5.6
71.08614	100.0
79.05477	88.6
81.03423	3.8
81.07034	70.2
83.04971	21.8
83.08604	6.0
85.06532	5.6
91.05455	54.6
93.07026	51.5
95.04938	13.6
95.08575	28.7
97.06498	32.5
99.08062	63.3
105.07010	62.4
107.04928	2.9
107.08574	20.5
107.34908	2.6
109.06509	5.8
109.10130	11.0
117.06987	25.3
119.08553	29.1
120.26252	2.5
121.10112	20.3
127.11157	11.3
128.06155	4.4
129.07004	24.9
131.08540	43.2
133.10141	12.1
135.08038	3.8
135.11636	5.1
137.09625	5.7
141.06984	4.0
143.08533	24.3
143.10609	6.7
145.10069	46.2
147.11682	11.6
151.11174	21.9
153.12686	4.8
156.09399	4.1
159.11682	13.5
161.13275	3.5
163.11151	6.0
169.10202	5.0
171.11652	74.3
183.11748	4.6
185.13249	3.7
187.14787	19.2
189.12732	19.9
189.16313	4.6
197.13263	3.7
201.16402	13.2
205.15906	7.1
217.03897	2.8
219.17430	27.5
234.54317	2.9
238.30737	2.8
239.08852	18.6
267.20911	8.7
285.22028	11.2
303.23111	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01862	12.1
55.05488	12.6
55.73297	2.0
56.96555	3.8
57.03429	12.9
57.29151	2.1
60.94363	2.1
67.05493	18.7
68.55138	2.5
69.03409	20.7
69.07030	6.4
71.01319	3.2
71.73011	2.5
72.08185	2.4
79.05484	36.3
81.03391	4.4
81.07039	58.7
83.04962	4.7
84.04423	4.6
85.02886	23.7
91.05470	21.4
93.07013	22.7
95.01324	24.2
95.04932	18.7
95.08585	5.1
96.17537	2.5
97.06509	38.6
98.97581	5.3
99.04454	3.4
105.07011	11.8
107.04934	13.4
107.08594	4.2
109.06493	23.4
111.04397	4.8
111.08052	2.6
113.02361	6.0
116.98602	4.0
117.06997	6.2
119.04932	5.9
119.08531	21.8
121.06470	16.6
125.02342	3.0
125.05972	5.2
129.06972	3.0
130.65007	2.8
131.08583	3.5
133.06419	3.2
135.08031	6.0
137.05951	16.6
137.09576	2.7
139.03893	18.3
141.05446	3.9
144.24948	2.3
145.02782	3.7
147.08011	17.4
149.05965	11.7
151.03918	9.1
151.07574	3.9
155.07106	2.8
163.03882	4.3
163.07521	17.2
165.09099	29.1
174.90039	2.5
175.07489	3.2
177.05490	4.5
181.08589	11.1
183.10217	5.7
187.33981	2.7
191.06958	3.8
193.08611	19.7
197.04442	6.4
209.08034	11.9
211.09605	31.6
214.29330	2.5
219.06445	3.4
237.07600	5.0
255.08577	100.0
273.09717	23.6
281.10486	3.2
322.14838	4.1
323.11783	2.9
332.26413	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	321.2423
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
54.49747	0.7
55.01859	1.5
55.05505	13.4
56.21267	0.7
57.07068	5.6
59.04998	1.2
59.46240	0.7
67.05492	6.2
69.07063	9.0
71.04966	3.3
71.08619	1.3
75.57645	0.7
79.05460	7.0
81.07040	13.3
83.04980	1.1
83.08613	4.5
85.06522	3.6
91.05482	1.9
92.09303	2.1
93.07019	8.4
95.08587	15.0
97.06521	1.1
97.10178	1.5
105.07008	4.3
105.54594	0.8
107.08578	6.0
109.06503	30.8
109.10136	4.5
111.08089	2.0
117.07029	1.2
119.08561	5.5
121.10114	4.3
122.07246	1.7
123.08047	100.0
123.11665	1.4
123.58857	0.8
125.09603	0.9
131.08522	1.2
133.10069	2.0
135.08025	12.5
135.11688	1.4
136.72296	0.9
137.09631	4.8
139.11174	0.7
145.10089	1.1
159.11618	3.1
175.14899	1.1
179.14273	97.8
187.14868	1.4
193.15776	3.0
205.15924	0.9
239.08842	3.7
247.16953	1.6
265.17941	19.3
303.23074	6.2
321.24185	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25207	0.7
58.37424	0.7
65.88420	0.7
69.07052	0.9
79.05478	1.0
81.07028	3.7
93.06996	1.2
95.08585	1.1
109.13671	0.8
212.12645	0.8
239.08846	1.1
257.15750	0.8
311.96225	0.9
321.20294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
54.81647	1.0
55.01859	3.5
55.05508	16.7
57.03423	9.2
67.05490	10.4
69.07044	3.9
76.56274	0.9
79.05002	1.3
79.05473	39.9
81.03397	1.7
81.07037	100.0
83.08603	9.2
91.05460	15.1
92.09336	0.9
93.07019	7.6
95.04964	9.3
95.08601	8.1
105.07005	5.5
107.04935	6.5
107.08588	5.3
109.06499	43.9
109.10151	1.3
111.08029	1.2
115.05480	0.8
117.07008	5.7
119.08540	5.4
121.06482	1.4
121.10117	1.3
123.08064	1.8
131.08533	4.8
133.06493	1.0
133.10091	1.2
135.08038	4.8
137.09563	3.7
142.95047	0.8
145.10110	3.0
149.09579	3.5
151.07532	1.6
163.11186	1.2
165.09030	1.3
169.08546	3.5
169.10002	0.9
185.11743	3.8
186.07162	0.9
202.54401	0.8
219.17305	0.9
229.15610	0.8
247.17017	6.4
265.17908	1.1
321.16696	9.4
321.20551	12.7
339.24316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01871	4.2
55.05508	18.5
55.66514	0.3
57.03432	8.5
65.03928	0.5
67.05493	11.7
69.07058	4.2
71.04983	0.9
79.05479	39.1
81.03403	2.8
81.07043	100.0
83.04966	1.8
83.08602	12.7
91.04902	0.4
91.05471	12.3
93.07023	9.1
95.04943	8.8
95.08578	6.8
97.06490	0.5
103.05440	0.6
104.62480	0.5
105.04509	0.4
105.07011	5.6
107.04955	5.3
107.08580	4.3
109.06506	37.4
109.10145	2.3
111.08080	0.8
113.06025	0.9
115.05418	0.8
117.06998	5.9
119.08562	7.6
121.06528	2.6
121.10128	2.5
123.04420	0.9
123.08054	2.5
129.06984	0.9
131.08551	3.0
133.06508	2.2
133.10143	2.1
135.08029	4.9
135.11693	0.6
137.09618	4.5
145.06514	0.9
145.10141	2.1
147.08054	1.0
148.39667	0.5
149.09569	3.1
151.07529	0.7
159.11656	0.6
163.11177	0.9
165.09158	2.1
169.08577	4.9
169.09894	0.5
185.11722	3.3
201.16397	1.0
219.17407	0.9
229.15833	0.8
247.16885	6.0
265.17911	0.7
321.16742	9.5
321.20636	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	321.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95415	0.8
53.03949	1.0
55.05503	1.9
57.03407	1.1
67.05488	4.7
67.36748	0.8
69.07054	4.3
77.18968	0.8
79.05467	9.4
81.03403	1.1
81.07045	6.3
82.37388	0.9
83.04944	0.9
91.05450	4.7
93.07028	6.0
95.08537	2.8
105.07005	5.2
107.08621	5.9
109.06516	0.9
109.10128	3.4
117.06997	1.3
119.08559	1.2
121.06509	1.2
121.10139	1.4
123.08088	1.0
131.08569	3.3
133.10127	3.5
135.08000	1.4
145.10138	4.7
151.07512	1.6
151.61621	0.9
159.11647	1.8
211.14880	1.1
229.16002	1.1
321.16708	100.0
321.20471	6.9
340.91147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.3
56.05028	0.4
63.55218	0.3
67.05466	0.4
68.05006	1.6
68.99762	1.5
69.03411	0.4
69.05793	0.6
70.06586	7.5
71.04965	1.3
72.08140	9.2
73.06549	2.9
74.83871	0.3
74.86550	0.3
79.05461	0.8
81.03375	1.3
81.07022	2.6
82.06551	1.3
84.08131	13.3
86.06056	16.8
87.54668	0.3
90.09165	3.3
91.05467	2.8
92.08746	0.3
93.06989	0.4
95.04909	0.5
95.08588	1.5
98.06043	0.4
98.97557	0.4
99.08095	0.3
102.09161	11.1
105.06987	0.4
107.04967	0.7
110.07172	0.3
112.07583	1.2
119.04926	10.7
119.08556	0.4
121.02862	0.6
121.10081	0.4
130.06497	0.6
131.08522	0.3
135.11618	0.5
139.03903	0.4
146.05882	0.3
147.04395	100.0
155.69939	0.4
158.05933	0.6
163.03888	6.8
165.06487	0.3
197.73729	0.4
199.14340	0.4
220.09665	3.0
236.12759	14.6
248.12747	0.4
252.12239	0.4
321.14438	0.4
321.18048	10.5
321.21771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58117	1.2
53.84722	1.5
56.51644	1.2
56.96555	1.6
57.07066	2.2
69.83069	1.6
70.06564	3.2
71.06891	1.8
72.02326	1.5
72.47449	1.3
79.05478	2.1
88.07605	9.1
89.07961	2.9
101.41403	1.5
102.09122	1.8
109.26770	1.7
175.91225	1.4
189.87994	1.4
196.55209	1.4
213.57800	1.6
239.08911	2.1
240.74701	1.5
246.90813	1.8
257.04428	1.6
257.26703	3.3
258.27081	11.8
285.85577	1.4
296.28094	1.6
306.91833	1.9
313.90317	1.6
320.30618	21.3
321.20322	100.0
321.30887	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	320.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10010	2.0
53.00308	2.0
54.81704	3.1
55.01865	10.6
55.05507	46.5
56.76450	2.4
57.03430	72.8
59.02849	2.3
62.61646	2.6
67.05495	49.2
69.03434	9.5
69.07059	75.5
71.01345	29.1
71.04977	5.2
71.08620	52.3
73.06532	6.4
75.82313	2.5
79.05059	3.7
79.05480	81.2
81.03407	25.2
81.07034	33.6
83.04977	24.5
83.08615	44.3
91.05466	37.3
92.82673	2.4
93.07032	100.0
95.04946	6.3
95.08591	42.7
97.06503	23.6
99.08079	41.0
105.07022	32.7
107.04917	5.6
107.08601	23.5
109.06506	12.4
109.10136	6.7
119.08576	28.5
120.90210	2.6
121.10129	99.0
123.08041	9.9
123.11690	2.8
128.98694	2.9
129.06961	3.7
131.08582	24.9
133.10092	21.3
133.15558	2.6
135.08043	12.2
137.09619	11.9
139.11154	47.8
140.21353	2.5
143.07019	22.8
147.11673	6.1
149.09605	23.5
151.11186	43.9
154.46597	2.7
155.10652	16.7
157.10129	6.1
161.08083	11.1
165.12733	10.5
167.10655	76.8
175.11166	11.4
184.37704	2.7
185.11729	40.2
203.17917	3.9
249.18408	46.1
267.19467	23.5
278.59128	2.9
326.45081	3.0
343.05151	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	321.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11529	0.4
56.04999	0.6
60.04491	0.4
84.04506	0.7
87.04414	0.6
321.11487	100.0
322.11591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
54.81716	0.4
54.84218	0.4
55.01857	1.3
56.98045	0.5
57.03424	2.7
61.02916	4.6
62.52031	0.4
64.33315	0.5
69.03418	7.5
69.07055	4.4
71.04981	0.9
71.91617	0.5
73.02901	2.1
74.90494	0.4
81.03394	10.8
85.02892	30.1
87.04451	0.7
91.03921	0.8
94.06544	0.6
97.02872	8.8
99.04395	0.6
109.02864	100.0
114.05527	0.7
123.04395	0.8
125.79235	0.5
127.03864	4.6
140.07057	5.4
141.05449	52.3
145.04945	3.6
147.04340	0.6
158.08105	5.1
177.05403	2.1
180.08647	2.0
207.06485	1.9
211.46227	0.5
229.68384	0.6
267.08557	0.9
276.33633	0.7
320.13843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.9
55.05505	28.3
56.96550	1.7
57.03429	50.7
57.07053	1.7
67.05490	40.3
69.03413	2.6
69.07055	72.0
71.01341	20.3
71.04973	3.4
71.08615	41.4
73.06535	9.5
79.05474	52.9
81.03396	12.8
81.07039	100.0
83.04955	12.9
83.08607	25.7
85.06513	2.9
91.05468	31.5
93.07029	57.9
95.04945	7.8
95.08601	26.8
95.33204	1.5
97.06506	22.1
97.10139	2.2
98.97589	2.0
99.04459	1.6
99.08081	31.8
105.07012	13.8
107.04934	3.8
107.08595	17.3
109.06493	8.5
109.10143	9.4
111.08109	2.9
115.07558	2.8
116.98557	1.7
117.07022	3.0
119.08553	14.7
119.80264	1.6
121.09258	2.4
121.10124	63.2
123.08051	2.0
125.06034	1.6
127.07555	18.5
129.06960	2.2
131.08530	14.2
133.10097	17.9
135.08038	10.1
135.11687	1.7
137.05943	2.5
137.09583	7.2
137.43504	1.7
139.11171	27.3
143.07021	27.5
145.08553	27.5
147.11656	8.0
148.49117	1.4
149.09602	11.6
151.11177	31.2
155.10658	9.5
161.08078	16.6
161.09303	1.9
161.13181	2.1
165.12689	6.7
167.10646	45.8
175.11208	2.4
185.11757	23.9
203.17900	3.5
213.16335	2.0
221.18924	2.5
229.03813	1.8
231.17348	6.7
249.18472	32.3
267.19467	20.8
307.38177	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07482	1.2
54.30602	1.2
54.37502	1.3
54.59807	1.3
54.81440	1.4
55.01859	2.7
55.05506	12.5
57.03424	9.1
58.17097	1.1
61.24190	1.3
67.05495	32.4
69.07055	20.4
71.04975	3.6
79.05482	21.8
81.07040	100.0
83.04948	8.8
83.08597	9.2
85.06516	6.8
91.04958	2.0
91.05466	30.3
93.07013	11.8
95.04926	1.7
95.08572	20.9
97.06516	10.8
99.08068	2.7
105.07019	46.2
107.08590	16.0
109.06496	9.6
109.10175	2.0
116.98619	1.7
119.08566	36.7
121.10139	31.6
123.08037	5.6
123.11687	35.8
127.07516	2.6
129.06995	2.2
131.08545	2.8
133.10094	6.3
137.13206	2.1
147.11673	88.9
157.10078	2.5
165.12703	32.5
173.68915	1.6
175.11156	1.6
183.13705	2.4
193.12215	3.4
211.13286	1.6
221.36612	1.4
229.14330	9.7
258.24179	2.2
260.74969	1.4
267.15887	51.3
272.04956	1.5
279.03540	1.6
285.16888	69.5
320.27908	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	319.1878
Annotation	Ubiquinone (Q2)
Peak:m/z	Relative Intensity
54.53415	2.6
57.07067	5.4
64.36124	3.0
67.60506	2.9
70.06566	4.9
76.58430	3.1
78.53968	2.9
79.05489	3.6
81.07049	5.7
85.91676	3.0
104.47276	3.6
115.43103	3.6
116.98633	4.5
189.05304	4.7
193.04927	6.0
194.07022	3.2
256.26251	7.4
318.29922	5.6
319.18787	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	319.2241
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.10556	1.6
57.07066	2.6
57.09876	1.3
60.55321	1.5
69.03407	3.9
73.06575	1.6
92.08707	3.2
102.01552	1.6
104.99231	7.3
130.08560	1.6
166.03882	1.8
301.48434	1.8
319.22375	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	319.2265
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
53.03936	5.2
54.82004	3.5
55.01863	13.0
55.05503	37.0
57.03427	5.7
57.07045	6.3
63.98349	2.5
66.17081	2.9
67.05143	4.7
67.05494	83.4
69.07054	50.8
71.05006	5.0
71.08622	3.3
78.17979	2.7
79.05475	81.1
81.03401	3.8
81.06598	5.3
81.07038	86.3
83.04964	20.2
83.08596	6.2
88.07619	5.4
91.04897	3.0
91.05465	90.2
93.07021	100.0
95.04955	25.4
95.08585	49.7
97.06508	35.3
103.05463	3.5
105.07011	77.5
107.04919	17.1
107.08580	47.4
109.06503	27.3
109.10139	18.1
111.08073	6.2
111.73013	3.1
116.98636	2.7
117.07010	29.4
119.08557	50.6
121.06483	19.8
121.10118	17.1
123.08041	15.3
123.11686	4.8
128.06187	6.1
129.06978	28.5
131.08545	51.8
133.06458	7.4
133.10101	48.7
134.39581	3.4
135.08044	20.5
135.11624	6.6
137.05998	3.7
137.09650	5.6
141.06995	6.7
142.07777	4.4
143.08525	33.8
145.06470	4.5
145.10109	30.9
147.08066	20.6
147.11678	12.7
149.09569	21.8
151.11183	15.3
155.08508	4.0
157.10100	16.2
159.11679	17.3
161.09596	33.9
163.11130	18.5
167.08498	6.9
169.10133	4.1
171.11635	21.3
173.13220	26.3
175.11058	4.5
175.14894	3.4
177.12709	4.9
181.10190	3.1
183.11755	13.7
185.09657	3.2
185.13246	16.5
187.14897	5.1
189.16313	3.6
191.14174	3.9
197.13275	4.9
199.11249	4.3
199.14816	20.0
203.14188	4.3
205.15834	4.1
209.13205	6.4
217.15843	7.2
223.14777	3.6
227.14101	3.8
245.15240	3.5
255.21112	5.1
255.52637	3.7
265.19550	6.8
283.20450	15.5
301.21576	97.6
319.19046	7.2
319.22607	31.3
319.30130	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	319.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.4
56.05018	26.7
57.07056	9.0
58.06582	5.4
60.04512	38.8
63.94427	3.5
66.57333	3.2
69.07052	6.7
74.06049	9.2
74.99898	3.7
88.07613	80.8
88.87280	4.4
94.80624	3.8
105.07031	4.7
118.08653	9.1
119.08488	4.9
122.08116	5.4
122.59094	3.7
163.07492	4.9
189.08127	3.8
260.60196	3.9
270.27902	31.6
271.28143	32.2
301.17654	22.7
309.58841	4.3
318.29901	89.4
318.33237	8.7
319.18835	100.0
319.22321	13.1
319.30258	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00880	0.4
53.03949	1.4
55.01867	0.9
56.96558	0.5
57.03427	3.0
61.02912	2.9
65.03926	1.0
67.05492	27.6
68.26570	0.6
69.03415	18.2
69.07056	15.3
73.02897	1.4
73.32777	0.6
81.03397	5.4
81.07069	1.0
84.04487	0.9
84.08126	0.8
85.02892	38.4
86.03223	1.2
90.18223	0.5
94.06569	1.4
95.04950	56.9
97.02871	29.9
99.04427	1.4
101.04733	0.6
103.03918	3.8
109.02872	9.0
112.07590	47.1
113.05990	5.9
120.37010	0.6
121.06496	2.5
122.05991	2.3
122.06793	1.1
123.04411	1.5
124.07617	1.3
127.03854	5.4
136.07567	1.4
137.05945	2.5
140.07047	100.0
145.04958	3.4
150.09180	0.7
154.08595	7.5
164.07011	0.7
178.08635	3.1
182.08090	51.8
196.26575	0.6
206.08080	11.6
218.08131	2.3
236.09256	1.2
248.09094	5.7
252.71672	0.6
284.11197	2.4
302.12289	21.5
340.71460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
57.03416	0.9
62.33871	0.8
67.05479	4.1
69.03428	1.0
69.07048	0.9
72.08141	4.8
79.05476	2.0
81.07053	1.3
83.04987	1.3
84.41504	0.8
91.05476	3.2
93.07028	1.8
94.06551	1.0
98.06026	1.5
101.72208	0.8
104.66133	0.7
107.08558	1.4
108.08106	1.3
109.02879	1.2
110.06018	7.4
111.04414	2.0
121.10107	1.4
122.06005	20.5
123.06812	1.2
123.08009	2.0
124.07561	22.9
134.06012	1.0
135.04430	1.3
136.07553	0.9
137.06010	1.0
138.09114	75.6
140.10689	9.6
150.05478	47.0
152.07047	65.5
159.66670	0.9
174.09128	6.4
209.11768	3.7
214.11011	1.3
215.11786	1.0
215.15381	12.3
216.13808	19.9
222.49127	0.8
226.12325	1.7
227.15482	4.0
228.12392	1.2
243.14870	100.0
244.13289	29.1
255.14816	1.4
256.13229	1.3
259.14435	0.9
261.15964	1.4
271.14346	22.7
273.15948	1.0
283.15027	1.9
289.15402	78.6
291.10501	1.2
319.11652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67837	0.3
57.07066	15.5
58.06580	0.7
58.19988	0.3
59.05120	0.4
59.48444	0.3
68.04990	0.4
69.08233	0.3
70.06575	26.7
71.08615	6.5
73.78527	0.3
84.08137	2.5
85.10166	2.5
86.09695	0.8
88.07609	28.7
89.29394	0.3
92.08672	0.3
102.09177	1.4
106.08640	4.4
114.09154	9.9
118.08627	3.6
120.32154	0.3
129.25728	0.4
130.08629	0.4
132.10176	34.4
135.54689	0.3
150.11226	26.8
242.24709	2.4
256.26285	2.2
272.25937	0.4
274.27325	10.0
318.29962	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	319.1175
Annotation	Evofolin B
Peak:m/z	Relative Intensity
55.01865	1.2
55.05508	1.9
57.03432	1.2
65.03922	3.0
67.05482	3.0
69.07037	1.7
72.08124	1.8
72.50507	1.1
79.05461	2.2
80.02663	1.1
85.02878	7.1
85.06524	1.2
85.48905	1.4
89.03925	1.2
91.05431	2.5
95.04932	5.5
97.02861	2.1
101.34052	1.1
103.05454	1.9
107.04904	2.6
108.02074	2.7
109.02867	1.2
117.03300	1.9
121.06485	6.2
125.06021	1.6
131.04858	1.6
132.64868	1.2
134.03613	2.3
135.04442	1.7
137.02367	1.6
137.06006	8.7
140.07050	2.3
141.05453	6.4
149.05963	100.0
151.03893	93.1
151.05011	14.7
151.07420	1.7
153.05582	1.6
153.06963	14.1
161.05917	1.3
162.80412	1.2
177.05437	75.1
180.05618	2.0
181.06444	16.3
182.08101	5.4
187.07425	2.2
195.08064	2.5
209.05913	2.2
213.09050	6.8
214.11168	1.2
226.06145	1.5
240.10059	1.3
241.08528	5.8
257.12778	6.7
265.78122	1.4
269.08057	1.9
273.11099	10.1
301.10580	8.8
302.10010	1.3
319.11469	2.8
319.16608	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20832	3.4
51.37906	3.6
52.95051	3.3
53.00300	4.1
54.81505	4.3
55.01863	22.2
55.05504	30.7
55.83834	3.6
57.07059	4.3
60.69007	3.8
67.05489	38.7
69.07056	100.0
71.08617	43.4
73.06540	9.8
79.05477	55.3
79.11900	4.5
80.05868	4.8
81.03413	20.5
81.07032	33.9
83.04966	6.7
83.08611	23.4
91.05472	33.5
93.07023	33.2
95.04950	10.4
95.08576	18.7
97.06528	31.7
99.08075	28.8
105.07006	17.8
107.04942	7.3
107.08571	47.2
111.08070	6.4
116.36345	4.2
117.07002	6.9
119.08578	24.5
121.06467	7.0
121.10115	21.7
125.05968	29.3
125.09634	29.1
131.08533	18.2
133.10071	4.9
137.09576	8.4
139.11119	5.7
143.07043	25.3
145.10152	7.9
149.09644	9.2
153.09097	21.8
165.09085	8.4
167.10675	8.6
183.89314	4.9
192.18237	4.8
201.16370	7.6
202.14981	5.1
219.17412	22.5
247.16954	23.3
265.17957	76.1
283.19019	30.0
319.42569	4.5
339.92877	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	318.2998
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
51.34430	0.5
57.07066	15.7
58.06582	3.5
59.73771	0.5
70.06203	1.2
70.06580	33.1
71.08617	4.6
72.08134	0.9
77.07837	0.7
85.10150	2.5
88.07613	39.9
102.09159	26.8
146.11748	1.0
212.23653	0.8
212.77826	0.7
256.26297	64.8
300.28931	5.0
318.29971	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	318.3
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05500	1.5
56.04804	0.9
56.05029	15.1
57.07071	13.2
58.06594	9.1
60.04514	15.6
61.38873	0.6
71.08607	6.9
74.06060	14.7
76.69051	0.7
81.07021	0.9
82.84670	0.7
85.10167	2.9
86.06054	1.6
88.07610	66.2
118.08624	10.1
122.08131	6.5
270.27838	55.5
282.27832	1.1
291.51324	0.8
300.28922	4.1
302.83389	0.8
318.29956	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	318.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
54.94775	6.9
55.01862	6.5
55.05497	29.5
67.05476	49.9
69.07053	86.2
71.08607	32.8
79.05471	66.3
81.03406	79.0
81.03808	9.2
81.07035	19.3
83.04959	17.8
83.08591	14.9
85.02919	9.3
91.05457	70.8
93.07023	50.7
95.04970	9.3
95.08572	37.3
97.06510	39.7
99.08081	10.0
105.07012	11.1
107.08578	38.8
109.10128	29.9
112.21984	8.8
117.06969	10.1
119.08585	100.0
121.06497	13.2
121.10093	16.0
125.05949	11.2
125.09655	13.5
131.08522	15.7
133.10185	9.7
137.09569	42.3
139.11137	8.6
143.06998	14.3
153.09045	9.4
155.27901	9.1
163.03935	13.2
165.09087	48.4
169.86618	8.6
183.10175	64.8
202.38628	7.9
219.17345	10.0
247.16992	18.2
265.17950	65.0
277.31650	7.8
283.18982	14.0
293.51007	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	318.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.1
55.05502	28.7
56.96541	3.6
57.03427	32.3
67.05488	48.2
69.03387	2.9
69.07055	51.7
71.01331	7.7
71.04978	4.7
78.50219	2.7
79.05482	68.1
81.03392	13.7
81.06591	5.7
81.07038	88.5
83.04964	14.0
83.08605	19.3
91.05444	32.8
92.09166	3.2
93.07025	80.4
95.04949	20.7
95.08582	64.6
97.02847	7.8
97.06509	16.5
99.04449	3.9
105.07015	32.2
107.04919	28.3
107.08572	58.2
109.06522	7.7
109.10128	5.6
111.04522	4.5
111.08067	3.6
112.64552	3.3
117.06982	26.5
119.08572	24.7
121.06489	20.4
121.10115	42.2
123.08091	4.1
125.05911	3.4
127.07533	3.6
131.04878	3.4
131.08562	18.9
133.10081	13.6
135.08078	16.8
135.11662	77.5
137.09523	4.7
143.08630	5.4
145.06509	4.8
145.08499	3.7
145.09044	3.7
145.10103	45.5
149.09621	16.3
163.11169	87.7
167.10664	24.3
181.12218	21.5
185.11732	6.2
227.12762	76.6
247.16856	17.3
265.18011	6.3
283.15363	100.0
286.01559	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42604	1.2
52.55606	1.1
55.01865	9.3
55.05506	23.4
55.08450	1.5
56.96562	1.4
56.97374	1.2
57.03428	30.7
59.25373	1.2
59.48907	1.4
67.05144	2.0
67.05494	36.5
69.03380	1.3
69.07054	43.6
71.01324	2.8
71.04977	2.6
76.61848	1.5
79.05476	59.8
81.03396	6.6
81.07040	56.8
83.04978	10.1
83.08601	18.5
83.42419	1.5
85.02882	3.3
85.06530	1.8
90.42706	1.3
91.05450	26.3
91.05936	1.9
93.07021	76.4
95.04942	16.3
95.08577	62.1
97.02878	8.0
97.06513	15.1
97.10119	1.7
99.04435	7.4
99.08069	2.6
105.07024	21.4
106.67298	1.3
107.04947	21.2
107.08582	53.1
109.06498	7.5
109.10114	8.2
111.04473	3.0
111.08059	3.0
114.90617	1.4
115.05380	1.8
117.06987	20.9
119.08578	24.7
121.06485	15.5
121.10126	45.0
123.08033	6.7
125.05983	3.5
125.09632	2.8
127.07543	1.7
131.08559	9.8
133.06468	2.0
133.10048	12.0
135.08055	9.5
135.11665	63.4
137.09541	5.3
139.11189	12.8
143.07013	6.6
143.08545	1.8
145.06476	1.4
145.10114	50.3
147.08031	1.4
149.09570	16.9
152.97057	1.5
155.08476	1.6
163.11150	91.8
167.10638	18.1
179.10611	1.7
181.12213	13.4
185.11716	9.6
185.13214	2.3
187.11150	1.7
187.14749	1.7
201.16327	3.6
209.11592	2.0
211.34317	1.7
227.12740	85.7
229.15887	8.2
247.16901	22.3
265.17975	10.8
283.12201	3.2
283.15335	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	318.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65995	2.3
51.41666	2.3
55.05489	6.7
57.53538	2.1
67.05490	66.0
69.07041	12.3
79.05469	18.0
81.07034	100.0
83.08606	3.3
87.85915	2.7
91.05457	6.7
93.07025	19.1
95.08578	76.7
96.93452	2.5
105.06991	5.0
107.08574	17.5
109.10151	40.0
119.08561	15.8
121.10069	20.0
123.11683	16.7
131.08560	12.0
133.10109	6.8
135.11655	18.0
137.09593	5.5
137.13326	2.7
145.10121	15.3
159.11693	4.6
177.16393	3.3
201.16383	30.2
219.17427	18.9
237.18419	70.0
265.17911	17.5
283.19012	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	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04502	0.3
53.03931	0.8
55.01863	1.6
55.05501	0.4
57.03427	3.2
61.02916	4.6
61.04937	0.3
67.05479	0.7
69.03416	9.8
69.07047	1.0
70.06581	1.0
71.04949	0.4
72.08124	0.7
73.02896	1.8
79.05477	0.8
81.03396	3.6
81.07010	0.4
82.06561	1.5
83.04990	0.5
83.08578	0.4
85.02891	20.5
87.04457	0.8
91.03941	0.9
91.05466	3.2
91.29627	0.4
93.07027	7.6
95.04944	0.8
95.07320	0.6
95.08576	2.8
96.04472	4.3
96.08100	3.4
97.02866	8.2
97.05242	4.4
97.06504	1.7
98.06026	2.4
99.04427	1.0
100.07590	2.3
103.05464	3.3
109.02867	3.0
109.06487	0.5
110.06026	12.8
110.09667	7.7
111.08060	2.1
112.07593	0.7
120.08092	1.7
121.06484	75.5
125.08327	0.9
126.08241	0.6
126.09128	12.4
127.03876	2.8
137.05933	0.9
138.09120	33.7
139.07510	5.5
145.04935	2.0
152.10666	0.6
156.10179	100.0
180.10153	0.9
237.05568	0.4
255.03136	1.8
274.11646	0.4
318.15488	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	318.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65995	2.3
51.41666	2.3
55.05489	6.7
57.53538	2.1
67.05490	66.0
69.07041	12.3
79.05469	18.0
81.07034	100.0
83.08606	3.3
87.85915	2.7
91.05457	6.7
93.07025	19.1
95.08578	76.7
96.93452	2.5
105.06991	5.0
107.08574	17.5
109.10151	40.0
119.08561	15.8
121.10069	20.0
123.11683	16.7
131.08560	12.0
133.10109	6.8
135.11655	18.0
137.09593	5.5
137.13326	2.7
145.10121	15.3
159.11693	4.6
177.16393	3.3
201.16383	30.2
219.17427	18.9
237.18419	70.0
265.17911	17.5
283.19012	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01858	0.8
55.05500	0.4
57.03413	3.4
59.04966	0.4
61.02913	3.7
63.64016	0.3
64.76914	0.4
67.05479	0.8
69.03411	9.3
69.07038	0.5
70.06593	0.4
71.04974	0.5
73.02887	1.0
79.05449	0.4
81.03400	4.1
81.26076	0.4
82.06554	1.0
83.01334	0.6
85.02885	16.4
87.04430	0.9
91.03952	0.5
91.05445	2.5
93.07012	7.1
94.99384	0.4
95.04948	0.7
95.08595	3.0
96.04469	5.4
96.08101	4.0
97.02870	6.8
97.05245	3.5
97.06495	2.0
99.04427	1.6
100.07596	3.2
103.05455	2.4
108.08064	0.6
109.02851	2.3
109.06528	0.7
110.05322	0.7
110.06024	11.3
110.09679	6.7
111.08029	1.0
112.07557	0.5
120.08092	0.5
121.06479	57.5
125.08347	1.6
126.09126	12.1
127.03879	2.4
137.05952	0.6
138.09114	34.6
139.07518	5.0
145.04955	0.9
156.10173	100.0
168.10173	1.8
180.10173	1.8
187.07507	0.5
198.11264	0.7
211.81757	0.5
213.09067	0.4
255.03165	0.6
287.59045	0.5
300.70813	0.4
311.05768	0.5
318.15314	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	317.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42926	1.1
53.37582	1.1
55.05502	1.7
56.80298	1.2
56.99781	1.1
57.07071	13.4
60.04494	1.5
64.64624	1.1
69.07048	1.6
70.06595	10.3
71.08613	3.4
85.10175	1.7
88.07600	13.5
92.08745	2.0
93.07035	1.6
101.70459	1.4
102.09122	1.6
106.08640	11.3
107.09015	1.8
109.10163	1.8
205.66319	1.6
243.50591	1.4
299.31281	1.9
316.28485	2.4
316.31995	32.0
317.20575	100.0
317.32385	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37938	0.8
63.10582	0.9
70.74823	0.9
74.05113	0.9
75.50682	0.9
77.62098	1.0
78.70957	0.9
90.86771	1.0
94.26470	1.1
111.30872	1.0
119.15248	1.0
163.00716	1.1
220.25438	1.2
280.41556	1.2
317.20828	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01854	3.2
57.03420	7.9
61.02915	13.1
63.08296	1.3
69.03413	22.5
71.04961	2.4
73.02896	2.4
81.03409	12.5
85.02887	100.0
87.04453	2.5
91.03937	5.8
92.08767	1.7
93.07014	3.4
97.02876	28.3
99.04445	3.2
103.05431	2.1
109.02872	8.1
109.29728	1.3
121.06489	59.5
127.03906	11.4
140.33911	2.1
144.26443	1.5
145.04939	18.7
145.06491	1.4
156.82127	1.3
163.05962	3.1
180.08649	9.1
187.07555	3.7
205.08562	3.7
229.08575	2.7
245.92383	1.6
247.09564	2.3
275.81949	1.6
318.15414	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35168	0.3
50.84799	0.3
54.81430	0.3
55.01852	0.5
55.05495	0.4
56.96516	0.3
57.03433	0.6
57.51299	0.3
60.78098	0.3
67.05479	1.4
69.03410	0.4
69.07048	0.6
72.08110	0.6
72.91890	0.4
79.05466	0.9
80.92339	0.3
81.07027	0.4
82.06554	0.4
83.04958	0.4
91.05421	1.5
92.09293	0.7
93.06994	0.6
94.06557	1.4
95.08581	0.5
97.06509	0.6
98.06039	0.4
98.97556	0.6
103.05412	0.5
105.07016	1.4
106.06533	1.7
107.04931	0.5
107.07330	7.9
108.08111	0.8
109.06582	0.4
110.06011	2.3
115.05536	0.5
116.98631	0.6
119.08551	0.7
120.08086	1.7
121.08884	0.7
122.09642	100.0
124.07542	2.7
126.06504	0.4
129.05447	0.4
131.04887	0.7
134.94293	0.4
135.04370	0.6
136.07550	9.0
137.05971	2.4
146.53986	0.4
148.11081	0.4
149.08397	0.5
150.05475	0.4
152.07053	12.5
166.04924	0.7
166.08649	1.4
176.10715	1.8
184.00945	0.4
198.08945	0.5
199.09941	0.9
200.10767	0.6
208.11238	0.5
210.09659	0.4
210.11240	3.1
211.09894	7.5
211.12013	1.0
212.10695	2.6
212.12990	0.7
213.11374	0.8
220.09743	2.0
225.13800	6.4
226.12277	2.6
227.15353	5.3
228.13809	10.4
228.15877	0.6
231.14925	2.1
240.10054	0.5
245.16447	2.4
253.13289	5.5
254.11682	15.3
271.14374	19.0
273.15933	17.8
299.13855	24.5
317.14822	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
54.81347	0.7
55.01862	1.6
55.05499	7.8
57.03427	6.4
64.32983	0.7
66.71198	0.8
67.05490	13.2
69.03419	1.6
69.07039	3.6
69.26817	0.9
69.59849	0.8
71.01339	0.9
71.04968	2.0
72.74296	0.8
79.05477	14.8
81.03400	100.0
81.07038	11.8
83.04980	6.1
83.05373	0.7
83.08601	20.6
91.05450	14.3
93.07024	10.1
95.04948	28.0
95.08582	4.4
97.02857	2.0
97.06490	1.8
99.89265	0.8
103.05465	0.9
105.07021	12.2
107.04929	9.1
107.08558	3.6
109.06479	3.4
109.10141	1.5
111.08056	5.9
115.05430	3.1
116.98559	1.2
119.04901	1.1
119.08547	13.5
121.06478	4.3
121.10090	5.1
123.04408	1.2
123.08066	1.2
129.06979	9.1
131.08534	9.5
133.06496	5.7
133.10103	5.6
134.99472	0.9
137.05934	4.1
137.09624	1.1
142.07759	3.0
143.43539	1.1
144.13799	0.8
147.08023	3.8
147.11673	4.8
149.09598	5.5
157.10109	8.9
161.09528	0.9
165.09061	0.9
165.12622	1.3
171.08031	1.9
175.07584	1.0
175.11156	8.4
181.06480	1.0
185.06027	0.8
187.07552	0.8
193.12213	42.9
194.71490	0.8
197.05908	1.3
205.08499	3.4
211.07596	0.9
211.11218	1.4
211.13240	3.4
213.09061	5.0
239.10614	1.6
241.12187	6.2
251.14246	1.5
253.16066	0.9
263.11392	0.8
267.15869	22.8
269.15234	1.6
285.16788	6.2
299.16190	1.2
317.17508	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	317.1383
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
53.03946	2.5
54.99223	1.4
55.01857	3.2
56.96549	7.0
58.52607	1.3
62.79200	1.7
67.05479	3.2
69.03409	2.5
70.06584	2.9
71.04976	1.7
72.08128	6.8
76.56375	1.8
79.05468	6.7
81.07036	4.0
84.08131	2.2
86.09682	4.1
91.05450	30.1
93.07021	4.0
95.04948	8.9
95.08577	2.3
96.70888	2.0
98.97555	4.1
102.09149	3.9
103.05434	5.7
107.04919	9.5
109.06490	3.2
115.05442	3.3
116.98611	3.6
117.06989	2.7
119.04910	19.1
119.08510	2.3
119.51949	1.6
121.06466	16.0
122.03615	11.5
123.04401	11.6
128.06207	3.3
129.06979	19.2
131.04855	4.2
134.99666	2.7
135.04410	6.3
137.05949	100.0
143.04901	2.7
145.06407	4.2
147.04398	18.3
147.07997	9.6
149.05974	18.1
150.06746	3.9
151.07533	35.3
152.06119	2.3
155.08554	3.0
157.06444	8.6
161.05933	2.6
165.06941	17.5
167.08549	3.7
175.07468	23.5
178.07774	7.4
181.06465	2.3
182.07147	3.2
183.08066	3.0
193.06474	12.3
193.10130	7.4
195.08046	10.0
197.05931	3.9
201.12137	1.9
206.07118	2.9
210.06752	4.0
211.07507	10.3
213.09119	3.8
213.86432	2.3
221.05930	8.1
221.09560	6.6
223.07579	2.5
225.08990	7.6
238.06247	2.3
239.07004	10.2
241.08603	3.2
253.08522	9.1
253.12265	3.7
255.06590	1.7
258.08871	4.2
269.08249	1.8
271.09567	17.5
273.11130	7.7
299.12766	8.7
317.14120	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	317.1383
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
55.01861	4.5
55.02086	0.5
59.45580	0.7
65.03922	1.2
67.05476	0.9
69.03410	1.3
79.05463	4.5
81.07027	0.8
88.94777	0.7
90.92814	0.7
91.04887	1.1
91.05460	34.6
93.07028	4.2
94.04153	3.0
95.04959	6.0
101.52580	0.6
103.05466	7.2
105.03342	0.8
105.06996	3.6
107.04944	5.6
109.02820	0.7
109.06503	3.4
115.05448	1.2
117.06972	1.0
119.04921	18.1
119.08560	1.6
121.06474	13.4
122.03623	9.7
123.04405	11.6
128.06223	4.3
129.06982	23.2
131.04922	4.0
132.05693	0.7
133.06512	1.0
135.04378	5.1
136.05179	3.7
136.46466	0.9
137.05959	100.0
141.07016	1.3
141.16489	0.7
143.04927	1.5
145.06474	1.3
146.03619	0.9
147.04376	13.6
147.05435	0.7
147.08023	5.3
149.05960	20.9
150.06749	4.7
150.21341	0.7
151.03915	1.4
151.07523	40.0
152.06210	3.2
153.06973	3.0
154.07837	1.0
155.08580	4.0
157.06448	10.8
160.05193	3.0
161.05972	6.8
161.09662	0.8
163.07481	1.1
165.06975	21.9
165.08276	1.2
166.07764	0.7
167.08508	9.2
169.06473	4.6
173.05978	0.9
174.06744	0.7
175.07507	25.2
175.08899	1.2
177.06947	1.4
177.09210	0.7
178.07761	9.3
179.08601	2.9
181.06422	1.5
182.07274	4.8
183.08109	5.3
192.09288	1.4
193.06459	11.7
193.08252	1.3
193.10110	6.6
194.07254	1.4
195.08002	11.8
197.05940	5.9
197.09674	1.2
198.06784	1.5
199.07570	0.9
202.07692	1.1
203.08545	1.4
205.06400	1.0
206.07254	0.9
207.08014	0.9
209.05920	1.5
209.09645	1.1
210.06750	9.8
211.07520	13.8
212.08186	1.4
213.05377	1.3
213.09088	7.8
216.64851	0.7
220.08824	0.9
221.05988	12.6
221.09514	9.8
223.07527	5.1
224.08203	1.1
225.05521	1.0
225.09053	9.1
227.07027	1.7
227.10669	1.2
228.07735	1.0
231.08139	0.8
238.06200	5.5
239.06987	12.4
239.10611	1.6
240.07764	1.0
241.08514	7.5
249.09010	4.3
249.88515	0.8
251.06891	0.8
253.08536	13.6
253.12190	8.2
254.17355	1.1
255.06366	1.3
255.17755	1.1
256.07242	0.9
258.08801	4.1
267.10086	1.2
270.08893	3.4
271.09619	21.2
273.11151	12.1
281.11658	3.3
299.12723	12.9
317.13834	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	317.1383
Annotation	O-Methylodoratol
Peak:m/z	Relative Intensity
52.19387	0.8
53.03944	1.2
53.09431	0.9
55.01881	2.5
55.05497	1.6
55.59938	0.8
56.96549	2.1
64.33171	1.1
66.04674	1.0
67.05500	2.3
69.07058	1.7
77.00897	1.5
79.05479	16.1
81.03397	2.2
81.07018	9.7
90.94006	1.0
91.05457	10.9
93.07027	1.5
93.59507	1.1
94.04162	1.2
95.04953	4.3
95.08562	2.7
103.05442	4.6
105.07020	78.6
107.04939	5.8
107.08613	1.4
109.06491	14.6
113.70005	1.1
119.04955	2.2
120.77420	1.0
122.03616	5.8
124.05260	1.8
133.06473	49.3
137.05959	100.0
149.64774	1.2
150.03156	1.9
151.07533	1.7
165.05452	81.0
165.09091	67.4
165.10483	2.3
168.04164	1.5
179.07010	2.5
193.08641	7.5
215.11211	12.1
233.12282	2.2
253.12865	5.0
267.09027	2.4
271.13879	13.9
285.10019	7.8
317.13840	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.43798	0.4
53.50854	0.4
55.01845	0.6
55.05500	8.4
56.04809	0.5
56.05024	4.7
56.96556	0.6
57.03431	1.0
57.07071	3.7
60.04513	100.0
62.09779	0.4
65.12569	0.4
67.05493	12.3
68.05041	0.5
69.07050	7.5
70.06566	1.1
71.04998	0.4
71.08643	2.0
72.04503	1.0
74.06055	2.2
79.05468	5.3
80.05006	0.5
81.03400	0.7
81.07040	10.0
82.06564	2.0
83.04966	1.0
83.08596	5.2
87.04447	3.5
90.05568	0.6
91.05436	4.9
93.07013	4.7
94.06549	0.7
95.04939	0.8
95.08582	10.5
97.06493	0.6
97.10139	0.8
98.97573	3.1
99.08083	0.9
101.05986	0.5
105.07006	2.4
107.08564	2.3
109.10146	3.2
111.08070	1.0
116.98615	1.1
119.08543	2.0
121.10143	2.0
122.09649	0.6
123.11752	0.6
133.10121	2.1
134.99643	0.9
135.11652	1.0
137.13235	0.5
147.11694	0.8
151.11179	0.9
165.12679	0.7
188.98253	0.5
226.98459	0.5
250.25246	0.8
256.26224	1.2
262.25211	0.9
263.20068	2.7
272.69720	0.6
274.97430	0.6
280.26260	7.4
280.41125	0.5
281.21033	2.4
292.98611	0.8
298.27298	8.4
316.28387	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.138
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
55.01860	4.2
56.64329	0.7
65.03928	1.5
67.05495	1.9
68.99765	0.7
69.03416	3.0
70.06581	0.9
79.05469	4.0
81.07042	3.6
84.08104	0.8
86.09694	0.9
89.77351	0.8
91.05466	33.3
93.07014	3.5
94.04168	3.6
95.04945	8.6
103.05469	5.9
103.78700	0.8
105.06995	2.1
107.04928	7.1
109.06506	3.5
109.10148	1.6
115.05439	3.6
117.07018	1.7
119.04918	18.5
119.08543	1.5
121.06487	19.0
122.03631	11.2
123.04423	11.9
128.06229	4.9
129.06982	24.1
131.04897	5.1
131.08513	1.4
134.03523	0.9
135.04396	5.0
136.05174	1.9
137.05956	100.0
137.09569	3.1
145.06474	1.7
147.04402	14.9
147.08058	8.1
149.05948	21.7
150.06743	5.5
151.03862	1.5
151.07524	44.2
152.06161	1.9
153.06992	4.5
155.08569	3.3
155.10660	1.4
157.06462	9.8
160.05174	1.9
161.05959	6.7
163.07498	1.4
165.06967	22.2
166.07648	1.1
167.08533	12.6
169.06488	5.8
175.07513	24.2
175.08911	1.3
177.06946	1.0
178.07802	6.9
179.08540	2.0
181.06499	4.8
181.10133	1.2
182.07230	4.0
183.08017	5.1
189.09146	1.1
193.06451	14.1
193.08406	1.7
193.10062	7.5
194.07317	1.2
195.07999	11.5
197.05927	6.1
198.06682	1.8
199.07584	1.7
203.08603	1.6
205.06506	1.3
206.07132	1.5
207.07990	1.2
209.05884	1.1
209.09590	1.4
210.06758	11.0
211.07454	14.3
213.09122	7.4
213.22926	0.8
221.05936	12.8
221.09549	8.3
223.07527	5.3
225.05469	3.4
225.09123	11.5
226.06224	1.5
227.07022	1.3
227.10526	1.8
228.07973	1.0
238.06232	4.7
238.09894	1.2
239.06976	13.9
239.10648	1.6
241.05003	1.1
241.08560	6.9
249.09076	3.9
251.06807	0.9
253.08533	11.8
253.12152	9.2
255.06419	1.7
255.20721	1.0
256.07361	1.7
258.08859	5.2
266.09238	1.0
267.10040	1.4
270.08826	4.2
271.09579	21.7
273.11127	13.6
281.11639	1.1
299.09872	0.8
299.12811	14.9
317.13824	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	316.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24463	1.5
53.03928	1.8
55.01864	36.5
55.05497	20.7
56.75597	1.4
56.96540	3.7
57.03421	2.8
57.07070	37.5
60.04504	3.8
60.92790	1.7
67.05488	44.1
69.03422	2.9
69.07052	52.3
69.07404	2.5
70.06586	1.7
70.53579	1.7
71.04974	3.5
71.08616	14.7
78.18987	1.9
79.05461	24.8
81.03390	7.5
81.07036	48.5
83.04966	20.4
83.08602	12.0
83.93875	1.8
85.06522	19.9
87.04449	25.1
88.07622	3.0
91.05457	31.9
93.07017	37.3
95.04941	10.3
95.08583	42.7
97.06516	43.0
97.10146	3.1
98.97578	11.2
99.08059	10.7
102.09131	3.0
105.06987	20.5
107.05000	2.8
107.08588	20.2
109.06503	8.8
109.10146	12.4
111.08057	2.8
113.09596	3.2
116.98596	16.6
117.06992	3.5
119.08549	19.1
121.10114	12.2
122.61209	2.0
123.08051	4.5
123.11686	8.4
125.09582	8.0
127.92913	2.1
129.06955	3.0
131.08589	6.3
133.10091	22.3
134.31728	2.3
134.99646	9.1
135.11649	8.4
137.09596	15.5
139.11232	3.2
145.10112	3.9
147.11670	19.2
149.09630	13.7
149.13254	4.0
151.11194	27.4
157.10106	3.3
159.11691	2.3
161.13208	8.9
163.11104	3.6
165.12733	12.8
175.11166	4.0
179.14230	4.4
217.19437	2.4
227.17805	2.6
235.20499	6.6
245.18925	7.6
256.26285	10.3
263.19998	100.0
274.97461	2.1
281.21051	61.4
292.79153	2.2
292.98450	3.6
316.28537	24.6
316.31952	3.0
333.12097	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	316.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	3.2
53.03949	3.7
55.01867	13.3
55.05510	63.0
56.96571	2.3
57.03434	18.5
57.07080	29.0
67.05497	97.0
69.03425	5.6
69.07054	48.6
71.04987	9.5
79.05476	82.9
81.03410	2.7
81.07047	100.0
83.04977	46.4
83.08604	21.5
85.06528	16.9
91.05465	57.2
93.07029	84.4
95.04936	20.0
95.08594	60.2
97.05969	2.3
97.06493	19.4
97.10152	11.5
98.97567	13.2
104.57440	2.7
105.07026	40.2
107.08600	37.2
109.06468	3.8
109.10151	20.4
111.08118	3.8
116.98596	4.5
117.06986	13.1
119.08588	22.8
121.10151	24.9
123.08083	5.3
123.11679	3.6
125.09617	40.6
129.07030	4.7
131.08537	14.8
133.06456	2.8
133.10106	29.4
134.06798	3.8
135.11696	20.3
137.09610	15.3
145.10072	4.0
147.11687	13.3
149.13222	12.8
151.11185	5.9
157.10078	3.0
159.11729	13.6
161.13274	12.9
163.11201	2.8
177.12714	3.2
193.12248	3.7
195.13744	23.3
242.05574	2.4
242.08121	2.4
245.18922	3.4
263.20065	35.6
276.67920	3.1
281.21225	18.0
316.18985	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	316.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97499	0.4
53.03934	1.9
55.01860	0.5
55.05506	14.8
57.03430	11.5
59.04723	0.5
59.04992	9.9
60.25954	0.3
60.47746	0.3
61.02912	5.3
69.03415	1.8
71.04975	20.5
73.06535	2.8
75.01016	0.3
83.04964	31.0
85.02894	7.3
97.02860	0.7
101.05995	100.0
116.06778	0.4
119.01936	0.4
119.07036	7.9
137.06989	0.7
137.08067	20.9
335.67404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.05506	13.3
57.03429	9.0
58.06573	0.4
59.04990	7.9
61.02914	5.0
62.06075	7.0
67.45359	0.3
67.74603	0.4
68.19100	0.3
69.03410	2.4
70.06570	0.6
71.04977	19.9
73.06535	2.8
81.03399	0.5
83.04964	31.6
84.04495	0.4
84.08103	0.7
85.02891	6.2
97.02866	1.8
99.04415	0.4
101.05997	100.0
109.02869	0.6
119.07029	5.8
127.03895	0.5
136.07498	0.5
137.08067	15.1
145.04918	0.6
154.08559	0.6
166.99817	0.4
232.37405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74279	2.1
50.96334	2.0
51.19172	2.0
53.00310	2.5
53.03946	5.8
54.85918	2.4
55.01871	14.1
55.05506	56.4
57.03426	6.0
57.07064	29.9
57.44743	2.1
59.04992	3.6
65.03936	2.4
67.05492	81.9
69.03419	10.6
69.07053	44.3
71.04977	11.0
71.08641	2.3
79.05477	79.8
81.03413	5.9
81.07040	100.0
81.07477	4.9
83.04964	45.7
83.08615	14.7
85.06540	14.3
91.05463	56.3
93.07025	78.2
95.04964	21.7
95.08585	61.5
97.06538	12.9
97.10154	11.7
98.97548	5.7
101.06002	3.2
105.07027	40.8
107.08585	43.1
109.06522	10.6
109.10146	18.6
111.08076	6.6
116.98608	5.2
117.07013	15.8
119.08562	26.1
121.06470	3.2
121.10141	18.5
123.08050	5.8
123.11668	2.9
125.09624	42.9
129.06950	5.2
131.08554	18.4
133.10095	27.2
134.99692	3.6
135.11652	20.1
136.70015	2.6
137.06035	3.8
137.09653	14.0
145.10190	4.0
147.11676	6.3
149.13242	12.1
151.11256	3.8
157.10127	3.6
159.11673	6.2
161.13255	3.5
163.11195	5.6
179.14397	2.6
193.12245	3.3
195.13757	31.1
227.17870	4.8
234.15248	2.9
263.20047	38.3
274.97351	3.0
281.21188	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1928
Annotation	E-64c
Peak:m/z	Relative Intensity
50.61633	0.9
52.34231	1.0
52.47637	1.0
52.68312	0.9
54.81427	0.9
57.24895	1.0
60.99111	1.0
62.20558	1.0
68.50851	1.1
98.97542	1.6
105.16282	1.1
116.98542	1.3
140.15636	1.3
315.19241	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	315.1929
Annotation	E-64c
Peak:m/z	Relative Intensity
53.35437	1.3
55.05495	1.8
56.96554	2.9
67.05484	1.8
83.08626	1.6
95.08588	2.0
98.97556	8.1
105.03375	1.6
107.08575	1.7
114.36832	1.5
116.98606	8.5
121.10139	2.1
125.08735	1.4
134.99625	6.2
149.06046	1.6
153.92122	1.5
159.03183	1.8
173.14249	1.7
183.08356	1.3
249.52992	1.6
286.95422	1.4
313.05371	1.7
315.07562	2.9
315.19250	100.0
316.07422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58093	0.4
52.18380	0.4
52.49583	0.3
53.03930	0.5
55.01851	0.9
55.05487	0.8
56.96557	1.6
57.03410	2.4
57.07059	0.3
60.04507	1.9
61.02912	4.3
67.05482	0.7
69.03415	8.4
69.07040	0.5
70.06577	4.9
72.08125	2.1
73.02893	0.8
76.53851	0.4
79.05461	2.2
80.23890	0.4
81.03399	2.5
81.07030	7.2
81.69341	0.4
82.06568	4.7
83.04909	0.5
84.04470	0.6
84.08118	0.9
85.02885	11.8
85.06503	0.7
86.09688	17.1
87.04443	1.7
87.05585	0.5
91.03918	0.7
91.05447	7.4
93.05795	3.0
93.07001	2.0
94.06548	0.7
95.04927	0.7
96.08087	1.8
97.02872	6.0
98.97575	3.0
99.04436	3.1
101.06001	0.7
106.06516	0.6
107.04943	0.9
108.08099	45.1
109.02864	2.5
109.06485	2.2
110.06019	0.6
112.07521	0.4
115.03903	0.7
116.07065	4.6
116.98579	2.4
118.06458	0.4
119.04951	0.6
122.03643	0.4
122.06020	0.6
123.06800	2.9
124.07565	31.4
126.09087	0.5
127.03887	2.0
130.06487	0.5
130.52869	0.4
134.99603	2.5
136.07549	21.1
137.05951	9.9
137.08289	2.3
137.97809	0.5
138.06281	3.7
138.09111	0.7
145.04930	0.8
146.63695	0.4
148.07492	0.5
150.09113	0.6
154.08600	100.0
159.06453	1.7
166.08612	0.8
170.06252	3.6
173.12811	2.5
178.08617	0.6
183.08054	0.4
199.18022	1.0
207.07976	0.7
216.12283	2.8
227.17380	0.6
235.07510	0.8
239.07051	0.8
248.26263	0.4
274.97510	0.7
292.98544	0.7
316.14075	3.7
316.20892	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	315.1224
Annotation	Matteucinol
Peak:m/z	Relative Intensity
53.03942	1.1
55.59739	0.7
56.96555	1.3
67.05505	1.9
69.07049	0.7
79.05483	6.0
81.07029	4.7
83.19735	0.8
91.05462	5.4
94.04178	3.1
95.04936	4.0
98.97585	3.9
101.07486	0.8
103.05456	100.0
105.07021	8.3
107.04971	6.9
107.05607	0.8
107.08548	1.1
109.06511	6.3
116.98624	1.8
117.06994	1.3
119.04922	1.5
120.05693	1.0
122.03624	5.2
123.04421	1.4
131.04910	42.5
131.05885	1.6
134.03609	0.8
134.99675	1.5
135.08038	16.7
137.05969	50.3
147.04387	1.0
148.05179	48.8
149.05989	1.8
150.03191	0.8
151.07541	4.6
152.06203	1.5
159.03255	0.9
163.07524	29.6
164.08319	1.0
165.05469	9.0
165.06880	1.0
167.08539	5.0
175.03862	9.2
176.04674	19.0
191.07007	7.8
193.31622	0.9
195.08029	7.7
211.07535	0.9
212.08260	1.2
223.07556	3.4
224.65930	0.9
227.10631	1.1
237.09145	3.0
261.27036	0.9
265.08664	1.1
272.10498	1.3
287.12741	4.3
315.12216	27.0
333.08563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56608	1.3
52.41119	1.4
54.81349	1.9
55.01871	2.9
55.05503	2.2
56.63019	1.6
56.96566	2.9
62.57620	2.0
64.70050	1.5
67.05483	2.5
78.06452	1.7
79.05486	8.1
81.07031	2.8
91.05473	10.7
91.43286	1.7
95.08586	2.9
98.97577	4.5
103.05441	4.2
105.07009	18.1
107.04958	2.2
115.05442	7.2
116.28468	2.1
116.98599	8.4
117.06996	18.7
117.30558	1.9
119.08591	3.3
120.05629	1.8
121.06508	3.8
129.06993	2.8
131.04950	2.5
131.08505	2.3
133.06493	11.1
135.04388	9.9
135.08054	8.7
137.05965	18.0
139.07559	2.6
145.06508	14.6
149.05959	7.4
149.09584	3.2
150.06731	3.4
151.07509	9.8
159.08070	3.2
161.06007	2.8
163.07503	100.0
164.08299	63.1
165.07066	2.5
165.09038	2.4
167.07037	2.4
177.09149	2.3
178.09891	3.7
179.08464	1.9
179.09102	1.9
179.10625	23.7
183.08070	3.1
195.08121	3.2
197.09579	2.9
198.06796	2.3
199.07555	2.3
208.08879	8.7
209.09544	8.6
211.07547	3.7
213.09116	4.1
215.10660	3.6
219.08078	2.7
221.05850	2.9
223.11165	9.3
224.12030	2.3
225.09079	19.1
234.10493	2.0
235.07393	2.5
236.08211	3.3
237.09079	13.6
239.10562	2.8
240.11377	8.9
241.08560	2.4
241.12302	9.1
251.10626	9.6
252.11400	8.3
253.08641	14.3
254.09320	2.6
255.13821	8.8
268.10867	22.6
283.13239	85.0
303.28577	2.3
315.15918	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01867	32.0
55.05506	28.4
55.65683	2.2
56.96571	5.0
57.03417	11.4
57.07063	4.4
63.48646	2.4
67.05492	96.6
69.03420	5.0
69.07060	30.5
69.13133	2.2
71.04977	11.3
71.08599	3.3
76.55908	2.8
79.05113	3.1
79.05478	43.7
81.03402	6.4
81.07042	100.0
83.04969	14.4
83.08596	5.9
85.06524	11.0
86.92201	2.9
90.04842	2.6
91.05459	52.5
92.09235	3.1
93.07034	47.4
95.04957	23.5
95.08587	41.2
97.06495	6.4
98.97559	17.8
99.04416	3.2
99.08036	2.7
105.07015	60.4
107.04930	11.7
107.08581	52.0
109.06511	17.8
109.10145	80.4
113.09677	3.2
116.45924	2.7
116.98596	20.5
117.07035	5.8
119.08552	15.3
121.10143	12.2
123.08067	15.9
123.11687	6.6
131.08508	11.8
133.10106	78.2
134.99644	12.9
135.08038	4.0
135.11613	3.3
137.09549	4.4
145.10104	10.7
147.08052	2.8
147.11565	3.5
149.09584	6.8
149.13210	3.7
151.07568	3.4
151.11189	36.6
153.25482	2.9
155.08492	2.7
157.10144	3.1
159.11678	3.8
163.11171	4.9
169.12242	9.2
190.54175	2.9
197.32385	3.7
199.89291	2.8
215.12663	4.5
261.18448	29.9
278.21924	4.0
279.19495	33.0
296.23001	11.6
314.30508	3.9
317.44888	2.9
332.72272	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	315.0497
Annotation	Desmoxyphyllin A
Peak:m/z	Relative Intensity
53.51840	0.9
56.96542	1.8
63.06432	0.9
67.05496	1.6
69.03391	0.9
79.05472	3.8
81.06992	1.7
91.05468	3.8
91.96447	1.1
95.04943	1.2
95.08578	1.0
98.97551	5.5
105.07013	1.6
107.04955	2.4
116.98582	2.2
117.03354	1.9
120.04463	1.7
121.06440	1.1
124.17928	1.0
131.04865	1.7
133.10094	1.1
134.99640	1.6
135.04362	9.7
137.05943	3.7
147.04395	1.2
153.01779	5.5
153.03239	1.1
159.03282	1.2
162.05473	13.4
163.07442	1.0
166.08585	1.7
213.05415	1.8
227.73170	1.0
234.20813	1.2
241.04948	18.1
253.04883	6.4
255.11148	1.6
269.04385	54.4
269.07263	2.2
279.10074	3.6
297.03903	38.3
297.07248	1.9
297.11279	5.2
315.04898	100.0
315.07852	5.3
315.11288	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21227	2.6
55.01869	12.4
55.05508	27.0
56.96558	5.4
57.03426	4.7
57.07054	3.6
67.05487	40.2
67.90873	3.2
69.03369	4.1
69.07053	31.7
71.04977	87.7
79.05466	44.7
79.28217	2.8
81.03420	5.2
81.06594	5.7
81.07038	100.0
83.04954	4.7
83.08605	15.5
86.66161	2.8
91.05465	37.4
93.07030	35.7
95.04946	19.2
95.08572	32.9
95.34631	3.0
97.06517	12.7
98.97578	23.5
99.08083	4.3
105.07006	22.3
107.04941	13.4
107.08570	38.1
109.06548	22.4
109.10131	12.3
110.62144	3.0
111.04433	14.8
111.08031	3.3
113.09622	13.5
116.98619	19.8
117.07018	16.1
119.08546	30.7
121.06494	5.4
121.10126	17.4
123.08025	12.4
129.06935	3.6
131.08551	19.1
133.10114	15.4
133.21758	3.7
134.99661	16.9
135.08017	21.9
135.11623	4.4
137.09598	16.1
143.08511	4.0
145.10088	11.8
148.03893	3.0
149.09584	24.3
151.11095	6.1
153.00720	3.9
159.11690	4.4
163.11166	7.2
167.10672	3.3
175.11061	3.7
201.16446	4.6
211.14803	3.7
229.15877	11.5
247.16852	37.9
265.17908	46.3
268.94211	4.0
279.19604	24.9
290.94760	3.6
314.18048	34.3
334.52042	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	314.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
53.33990	0.4
55.01872	0.7
55.05511	5.9
56.96556	1.2
57.03148	0.7
57.03431	20.7
59.04988	15.6
61.02649	0.5
61.02912	4.7
63.53591	0.4
69.03419	8.2
70.06589	0.5
71.01340	0.9
71.04959	0.9
71.08606	1.0
71.27580	0.6
73.02903	2.7
73.06537	3.8
75.04459	4.9
81.03391	4.1
81.07047	2.2
83.81697	0.5
85.02889	23.5
87.04472	0.9
91.05463	65.9
97.02879	6.7
98.97568	3.6
99.04425	0.8
99.08073	18.0
105.07011	12.8
109.02892	1.0
115.03902	0.7
115.05428	8.0
116.98621	2.5
117.06998	100.0
117.09119	18.4
119.08583	7.3
127.03909	2.9
133.04953	4.0
134.99614	0.6
135.08003	6.0
135.10152	22.0
138.06354	0.6
145.04933	2.0
152.10727	4.3
285.49335	0.6
290.94794	0.8
314.15860	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	314.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40018	0.9
53.00292	1.0
53.03920	1.0
55.01867	1.6
55.05505	13.4
56.96562	2.1
57.03176	1.8
57.03431	34.3
59.04717	2.0
59.04994	44.4
61.02916	7.9
64.33138	0.9
69.03419	19.8
70.06587	4.3
71.04983	16.0
71.08621	1.6
71.32507	0.9
72.08138	1.8
73.02914	5.3
73.06541	6.1
75.04468	22.1
81.03429	7.4
81.07047	5.4
84.08127	1.4
85.02895	44.0
86.09699	1.5
87.04436	1.8
89.06008	18.0
96.12170	1.2
97.02876	23.9
98.97551	1.0
99.04438	27.9
99.08078	100.0
101.02361	1.2
103.03925	14.7
107.04953	1.9
107.34711	1.0
108.03307	1.1
109.02871	4.8
110.07112	1.0
110.95271	1.0
115.02158	1.3
117.03724	1.4
117.05479	28.4
117.09110	32.7
126.06664	1.6
126.56741	1.0
127.03892	14.4
134.05960	1.3
134.09663	1.1
135.06532	12.0
135.10150	26.4
136.06169	32.4
138.24553	1.0
145.04968	4.9
159.06456	2.0
163.06015	1.4
164.05603	1.9
193.31116	1.1
198.08800	1.2
261.09674	1.3
261.44067	1.0
279.10922	1.6
292.66400	1.2
314.08929	1.3
314.12280	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.7
55.01857	2.0
55.05510	15.1
56.93219	1.1
56.96543	1.9
57.03424	2.5
63.85562	1.3
65.03928	1.8
65.61277	1.1
67.05494	20.3
68.05025	1.5
69.03400	8.8
69.07049	10.7
70.06577	46.5
71.04973	16.7
72.08141	2.8
75.86600	1.2
79.05481	25.5
81.03443	1.9
81.07043	22.3
82.06570	1.8
83.04960	15.9
83.08624	5.4
84.08118	2.2
85.02855	1.8
85.06544	3.2
86.06049	23.7
87.04449	39.2
90.45495	1.4
91.05453	47.0
93.07015	15.4
95.04950	40.3
95.08578	8.5
96.08112	5.6
97.06506	40.5
98.06038	27.0
98.97575	7.5
99.04498	1.4
104.07086	47.4
105.07016	30.9
107.04941	29.4
107.08573	9.9
109.06516	12.8
109.10127	5.1
109.51685	1.5
111.04427	8.6
116.98602	2.1
117.06985	3.1
119.04928	1.9
119.08559	12.7
121.06472	1.7
121.10104	5.4
123.04405	16.8
123.08060	1.4
127.94910	1.4
128.06201	1.9
129.06978	23.0
131.08557	13.7
133.06483	11.2
133.10101	26.9
134.99626	3.3
135.04445	2.0
135.08047	13.3
137.05954	5.8
137.09508	1.5
142.07761	4.6
147.04398	9.4
147.08076	2.2
147.11659	17.5
149.09592	17.8
151.11163	18.8
154.08612	2.5
157.10136	8.0
161.06010	1.6
163.03897	2.5
165.05453	2.7
175.03925	2.1
175.11131	18.5
193.04939	16.5
193.12163	12.5
194.07274	2.5
205.08528	2.5
211.13297	1.6
217.08574	6.6
219.10112	2.7
235.09532	10.3
236.16295	2.4
237.09264	1.5
238.18024	1.9
240.19540	21.1
249.11224	5.4
254.17451	25.8
256.19000	9.6
260.16534	7.2
261.11194	2.7
265.08542	5.0
278.17453	27.6
282.20663	6.8
290.94803	1.9
296.18484	7.5
297.11316	1.9
314.19626	100.0
314.23230	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42541	1.0
53.00309	2.2
53.19906	1.0
55.05320	1.1
55.05511	20.2
57.03431	36.2
57.07069	92.4
62.04520	1.3
62.06089	2.0
63.23334	1.3
67.05190	1.4
67.05500	16.2
69.07057	17.3
71.05005	1.2
71.08617	52.3
76.55891	1.5
79.05457	1.9
79.40467	1.3
80.81241	1.3
81.07053	17.2
83.08603	16.8
85.10175	22.9
89.06030	2.4
95.08588	25.3
95.40504	1.4
97.10165	2.7
98.97609	1.8
103.07594	1.4
103.80369	1.4
109.10139	9.2
116.98573	1.8
121.10117	1.5
123.11678	3.0
166.44356	1.3
196.53665	1.4
239.23735	1.6
257.24762	5.1
312.32773	4.3
313.27322	100.0
313.32605	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	314.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01854	0.4
55.05488	1.5
56.96582	0.3
57.03433	4.3
58.69675	0.2
59.04980	1.7
59.35287	0.2
60.04516	1.1
61.01131	1.0
61.02917	0.6
62.06070	2.2
65.52863	0.2
67.05473	0.4
69.03412	3.2
70.06582	2.2
71.04973	2.0
72.08137	0.5
73.02889	0.6
73.06529	1.9
75.04446	1.2
78.82947	0.3
79.05438	0.3
81.03400	1.4
81.07028	1.7
83.04943	0.6
84.04491	1.7
84.08100	0.3
85.02888	6.3
85.65879	0.3
89.06004	1.6
91.40367	0.3
95.04934	0.3
97.02869	41.8
98.97556	0.5
99.04433	1.4
99.08073	8.3
103.03896	0.4
109.02863	0.6
110.07137	0.3
115.02145	0.4
115.08685	0.4
116.07048	0.6
116.99974	0.2
117.03700	0.5
117.05466	2.2
117.09109	4.5
119.03536	0.6
119.08189	0.2
121.06483	0.5
127.03893	1.3
128.75232	0.3
133.02824	1.1
134.09644	0.5
134.99623	0.3
135.05334	0.5
135.06511	1.1
135.10172	2.6
136.06163	100.0
137.04640	0.6
137.05910	0.6
143.01625	1.3
145.04951	0.4
147.06479	0.5
148.06158	0.5
152.07062	0.4
152.10640	0.3
161.02701	0.6
162.07742	0.4
164.05646	7.4
178.07195	2.8
179.03697	1.5
186.28918	0.2
195.00175	0.3
201.58437	0.3
279.08713	0.4
296.08051	2.2
314.09067	8.7
314.12177	1.6
314.18210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.00290	2.1
53.03920	2.3
55.01867	31.5
55.05502	48.1
56.63961	1.5
56.96544	1.9
57.03425	13.6
57.07064	12.3
57.99959	1.7
62.96004	2.2
67.05490	88.0
69.03432	2.2
69.07055	30.5
69.34356	1.8
71.04970	9.7
71.08619	40.4
79.05471	45.4
80.03673	1.9
81.03391	11.8
81.07038	100.0
83.04966	16.1
83.08600	23.0
85.06525	7.8
91.05457	45.7
93.06433	2.4
93.07019	60.0
95.04958	14.1
95.08578	42.9
95.09126	2.8
97.06509	16.6
97.10151	3.3
99.08072	26.4
105.07005	34.3
107.04932	4.1
107.08560	33.5
109.06512	4.9
109.10114	19.2
111.08061	12.1
117.07001	4.5
119.08558	42.1
121.10109	31.6
123.08067	4.8
123.11658	16.4
125.09554	2.9
131.08539	3.6
133.10092	18.3
135.08072	2.1
135.11671	13.2
137.09612	7.5
137.13211	2.2
139.11108	2.8
141.09079	3.1
143.08562	2.4
145.10069	4.3
147.10602	2.7
147.11671	41.3
149.13219	8.6
151.11147	19.1
157.10068	3.3
161.13208	8.2
163.11169	8.3
165.12740	24.6
179.14297	12.0
183.13684	2.0
231.20915	2.1
259.20535	7.9
268.96964	2.1
277.21579	57.6
286.63919	2.5
295.22672	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
53.03918	2.9
55.01865	12.8
55.05508	58.2
67.05495	70.0
69.07059	56.9
71.04974	5.0
73.06556	3.2
79.05473	66.7
81.03394	2.6
81.07039	95.2
81.07477	4.7
83.04953	3.9
83.08604	28.9
85.06525	5.4
91.05462	49.3
92.08750	4.1
93.07022	100.0
95.04945	14.9
95.08579	47.4
97.06525	17.7
97.07619	3.0
105.07011	39.9
107.08582	41.8
109.06509	5.0
109.10148	14.9
111.08084	11.4
117.06985	6.1
119.08570	22.4
121.10120	29.1
123.11718	3.5
125.09593	3.6
129.07033	3.6
129.09120	6.2
131.08553	11.5
133.10118	19.9
135.11667	25.3
137.05933	11.2
145.10081	3.9
147.11707	26.4
149.13252	16.2
157.45993	3.0
161.13184	7.2
163.11139	3.2
165.12651	5.0
175.11194	3.4
183.08031	3.9
189.12634	6.0
201.85191	2.8
207.13762	4.8
211.07509	21.6
239.06972	28.3
257.08063	21.1
259.20490	3.6
272.10388	54.1
277.21548	47.1
295.22406	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19772	1.4
52.68156	1.4
53.00288	1.8
55.05314	1.2
55.05506	18.9
55.42860	1.5
57.03175	2.6
57.03427	34.2
57.07067	100.0
64.64028	1.3
65.88293	1.8
67.05494	20.5
69.07054	19.3
71.08615	45.9
71.38406	1.5
71.42338	1.5
78.16286	1.7
79.05499	1.9
81.07035	22.2
83.08615	13.7
85.10163	24.5
86.09686	9.6
89.05986	1.8
91.05387	1.8
95.08590	27.4
97.10137	9.0
103.07561	2.1
104.10726	17.9
108.65692	1.7
109.10139	10.0
121.10129	2.0
124.99984	6.8
130.54070	8.7
136.00575	1.8
149.54808	4.3
158.55376	6.7
174.98450	7.5
181.02620	1.8
182.99078	2.3
201.00072	7.1
203.31769	2.0
204.19316	2.0
209.40210	1.9
239.23611	2.6
240.09906	9.1
242.06267	2.9
257.24759	2.8
272.66556	4.2
290.67599	2.3
313.27292	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.23877	3.2
53.03930	8.9
54.81620	3.3
55.01859	21.8
55.05508	54.2
55.05769	5.2
56.84883	2.9
57.03421	16.2
57.07063	53.4
59.48087	3.8
67.05493	100.0
69.07059	40.0
70.27379	3.3
71.04978	7.5
71.08614	5.1
79.05471	59.9
81.03404	36.0
81.07037	99.5
83.04962	24.6
83.08617	17.9
85.06523	3.8
85.10164	93.5
88.09621	3.8
91.05460	56.2
92.09394	5.6
93.07033	66.6
95.04938	32.7
95.08577	54.0
97.06506	15.4
97.10122	14.2
105.07005	58.2
107.05000	30.1
107.05631	3.3
107.08561	45.4
109.06509	14.3
109.10148	42.7
111.08035	5.4
113.09634	54.2
119.08566	18.4
121.10133	20.6
123.08043	13.9
125.09669	5.0
129.07019	13.8
131.08527	20.3
133.10115	48.7
133.24471	3.9
135.11647	6.4
145.10094	5.1
145.13062	3.6
147.11667	21.0
149.09572	20.6
149.13252	4.0
151.11142	24.9
153.86165	3.6
161.13181	5.1
163.11169	6.9
165.12726	79.4
167.10565	4.2
169.12263	3.5
171.11681	4.1
175.11183	8.4
241.19464	5.6
259.20462	5.4
277.21558	81.5
295.22650	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.00289	0.7
53.03940	3.7
55.01860	4.0
55.05506	22.6
57.03417	2.9
57.07066	9.3
59.04985	0.6
65.03935	0.7
67.05492	28.7
67.05851	1.0
69.03400	1.7
69.07055	17.3
71.04977	5.3
71.08594	0.8
75.88791	0.4
79.05472	20.5
79.89504	0.4
81.03396	17.2
81.07037	30.4
83.04964	8.3
83.08607	7.9
85.02891	2.6
85.06533	1.8
85.10169	17.5
89.36737	0.4
91.05463	10.8
93.07020	18.6
95.04939	16.9
95.08579	12.7
97.06513	3.4
97.10149	7.8
99.01075	0.4
99.08062	0.8
100.46806	0.5
105.07008	13.3
107.04913	2.4
107.08584	12.2
109.06522	4.3
109.10140	17.2
111.08057	1.9
113.09626	11.7
116.20586	0.4
117.06994	0.8
119.08568	4.5
121.06487	0.7
121.10108	4.8
123.08067	2.1
123.11662	3.2
125.09592	2.9
129.06966	0.9
131.08507	3.5
133.10101	6.3
135.08014	1.0
135.11655	2.6
141.12668	0.5
143.08537	0.6
145.10066	1.9
147.11652	4.0
149.09618	5.2
149.13281	0.6
151.11163	7.7
153.12692	0.8
157.10149	0.9
161.13211	2.0
163.11076	1.0
165.12712	26.9
169.12190	0.8
169.82277	0.4
171.11656	1.9
175.11125	0.7
179.14259	2.4
189.11191	0.6
200.51723	0.5
203.55800	0.5
207.13751	2.2
214.12943	0.6
241.19646	0.6
244.18153	0.4
249.22200	1.1
259.20468	2.0
277.21564	32.7
282.44043	0.5
295.22623	100.0
296.22858	0.8
313.17023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2369
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.00293	1.5
53.03943	1.8
54.90848	1.4
55.01868	56.1
55.05505	82.3
57.03427	6.6
57.07072	13.0
67.05492	80.2
69.03410	3.3
69.07056	40.4
71.04977	6.1
71.08615	61.8
71.26637	1.4
77.19493	1.6
79.05471	50.8
81.03401	10.8
81.07041	94.6
81.80471	1.4
83.04967	27.1
83.08605	52.4
85.06533	6.0
85.10177	9.2
91.05465	60.3
92.09377	1.9
93.07028	60.6
95.04933	15.5
95.08585	61.8
97.06520	28.7
97.10133	2.9
98.97593	2.4
99.08070	22.2
105.07011	46.3
107.04929	3.5
107.08578	33.0
109.06483	14.0
109.10138	20.2
111.08067	43.5
113.09637	8.2
117.07025	11.1
119.08575	31.4
121.10135	28.0
123.08051	9.0
123.11713	8.8
125.09622	2.7
127.11146	2.6
129.06985	11.1
131.08554	8.4
133.10107	32.1
135.11644	12.4
137.09616	6.8
137.13263	2.4
139.11171	9.3
139.63431	1.5
143.08508	5.9
144.49750	1.8
145.10101	8.4
147.11681	24.9
147.32076	1.4
149.09598	11.1
149.13252	15.4
151.11162	31.2
152.22900	1.6
153.12762	2.8
157.10110	3.7
159.11568	3.3
161.13208	14.3
163.11150	7.5
163.14755	1.6
165.12723	30.1
167.14262	2.0
171.11574	2.2
175.11176	3.3
175.14841	2.9
175.71719	1.4
179.14284	18.0
221.15289	1.9
231.21101	6.9
232.60213	1.6
238.71597	1.4
241.19427	3.4
249.10291	1.7
249.22215	5.4
259.20511	12.6
277.21576	100.0
295.22632	36.4
327.69492	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1772
Annotation	Tofacitinib
Peak:m/z	Relative Intensity
50.78847	1.4
52.51715	1.4
54.81744	1.3
55.05495	8.6
56.96535	1.7
57.07055	1.4
60.74200	1.4
63.43472	1.4
67.05482	9.1
69.07047	6.2
71.04976	1.8
74.83855	1.5
79.05470	6.2
81.03414	1.9
81.07038	12.9
81.07432	1.5
83.08589	2.0
88.24606	1.6
91.05452	7.0
93.07016	11.2
95.04967	2.2
95.08589	10.0
98.97508	2.2
105.07009	3.0
107.08575	2.9
109.10111	3.3
113.30610	1.9
116.98596	3.3
134.99664	2.5
149.05931	1.9
165.12633	2.1
290.94696	1.7
295.22565	7.3
313.17685	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	313.237
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
53.03937	3.4
55.01861	16.0
55.05505	63.9
57.03420	3.7
57.07068	3.4
67.05489	78.6
69.07046	46.0
71.04977	4.3
71.08624	3.1
79.05469	72.6
81.03398	3.1
81.07039	92.9
83.04954	5.6
83.08588	30.1
91.05452	43.9
93.07023	100.0
95.04927	12.0
95.08572	48.7
97.06521	15.3
98.97587	3.2
99.08057	3.8
100.80376	2.3
105.07005	41.4
107.08558	51.3
109.06505	10.5
109.10117	19.6
111.08070	19.5
116.98639	4.5
117.06995	5.4
119.08569	27.0
121.10109	32.5
123.08027	5.6
123.11668	4.3
127.28829	2.6
129.06984	3.7
129.09116	3.5
130.48659	2.2
131.08496	8.0
133.10088	18.0
134.99617	3.2
135.11652	24.1
137.09560	2.6
145.10118	5.6
147.11662	16.6
149.13197	19.1
151.11211	2.8
159.11682	5.5
161.13234	9.3
165.12740	5.1
171.11702	4.9
177.12823	2.3
259.20483	3.5
277.21591	43.5
295.22629	11.0
313.17703	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	313.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.9
55.01859	6.1
56.88883	1.4
67.05473	1.8
69.07017	1.5
74.28767	1.5
76.55880	1.4
79.05466	9.3
81.07030	3.4
91.05461	35.3
92.09328	4.9
93.07024	7.5
94.04163	2.8
95.04941	10.1
99.79504	1.5
102.04662	7.9
103.05453	94.3
105.07021	14.3
107.04932	14.9
107.08542	2.2
109.06516	6.3
115.05441	19.5
117.06990	9.7
119.04919	16.9
121.06481	8.1
122.03635	10.9
123.04413	16.1
124.05164	2.4
128.06209	75.3
129.06984	2.8
130.04114	8.9
131.04915	46.4
132.05788	1.5
133.06442	12.0
135.04382	7.3
135.08031	6.5
137.05963	100.0
141.07030	2.7
142.07741	1.8
143.04884	6.6
143.08551	31.9
145.06453	12.8
146.07275	2.0
147.04404	22.2
147.08022	6.2
148.03954	2.9
148.05177	85.5
149.05988	29.7
150.02682	1.5
151.07523	42.8
155.05974	4.8
155.08484	1.8
157.06430	2.1
160.05179	2.8
161.05951	42.5
161.09557	3.5
163.07524	48.0
164.08315	18.3
165.06970	2.1
165.08955	4.8
169.06436	2.2
171.08040	23.0
174.06752	6.5
175.07536	3.0
183.08049	14.6
189.09087	77.3
194.07297	3.0
195.08090	3.1
197.05939	9.8
203.10718	1.9
209.09669	2.0
211.07524	44.5
212.08295	2.0
214.06212	2.9
221.05959	5.7
223.07541	6.8
225.05415	7.2
225.08928	2.6
229.08531	16.5
239.07011	43.8
240.07762	3.7
241.08578	2.1
242.05624	2.3
245.07941	3.1
254.09177	10.6
255.06245	1.8
255.10129	7.5
257.08035	33.4
271.09552	2.9
272.10382	86.7
313.14294	61.0
328.41901	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Letestuianin C
Peak:m/z	Relative Intensity
50.36181	1.2
52.60463	1.3
53.03937	2.1
55.01863	9.9
55.05503	2.4
55.66977	1.3
57.07061	1.7
57.58549	1.6
59.72018	1.4
63.96814	1.6
67.05503	8.3
69.07053	2.8
71.04961	1.7
71.08612	2.6
79.05481	14.4
81.03389	1.8
81.07046	11.9
83.08625	1.7
91.05460	39.3
93.07041	10.0
95.04960	11.2
95.08611	2.8
98.97561	2.2
103.05446	93.1
105.07011	17.1
105.23139	1.6
107.04935	12.1
107.08581	6.8
109.06499	8.1
109.10125	3.9
115.05441	16.5
116.98600	2.3
117.07006	8.9
118.53080	1.9
119.04908	15.3
119.08599	3.9
121.06487	19.3
122.03627	9.0
123.04402	9.4
128.06195	71.5
129.06934	2.1
131.04897	35.5
131.08521	2.0
133.06479	10.9
133.10130	3.9
134.99644	2.9
135.08101	6.1
137.05951	100.0
141.06969	2.2
143.08545	48.3
145.06454	13.6
147.04416	3.0
147.08044	6.3
148.05188	18.8
149.05942	44.9
149.07065	1.9
151.07524	38.6
151.11263	2.5
160.05222	6.4
161.05933	40.1
161.07155	2.0
161.09605	8.0
163.07497	36.6
164.08327	10.1
165.09113	7.7
171.08005	34.0
173.05966	1.8
174.06732	12.8
175.07404	1.7
189.09074	74.4
197.42024	1.7
209.09575	3.4
211.07407	3.0
235.11186	2.6
239.07019	8.7
249.48698	1.9
257.08075	3.2
263.10660	2.2
269.07941	3.8
272.10440	9.5
280.10718	1.9
281.11655	2.1
284.10400	7.1
295.13348	2.9
295.22913	2.4
298.11884	2.2
313.14294	49.4
317.74908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
50.88954	1.0
55.01885	3.6
55.05500	0.9
57.07056	1.2
60.21120	0.9
65.44672	1.0
67.05492	4.6
68.27588	0.9
69.07051	2.1
72.02151	0.9
76.21358	1.0
79.05476	12.2
81.03384	1.3
81.07053	5.4
91.05475	8.1
93.07052	1.1
95.04959	2.2
95.08593	5.8
103.05441	8.9
105.07018	63.1
109.06522	5.3
109.10111	2.1
119.04945	4.4
122.03629	6.8
123.04375	1.3
124.05206	1.5
127.19112	1.2
128.06207	9.1
128.90848	1.3
131.04892	2.0
133.06476	50.3
134.99574	1.4
137.05960	100.0
137.09627	1.4
143.08565	8.4
144.05557	1.3
149.05971	1.3
151.07533	14.3
161.05907	9.2
165.09085	59.2
171.08058	4.9
175.07590	1.4
189.09116	14.4
313.14297	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.03923	0.6
55.01665	0.4
55.01868	6.7
55.05505	17.0
55.76136	0.4
56.02194	0.6
56.05835	4.4
57.03419	2.1
57.07069	9.1
58.03725	0.5
58.07386	3.3
60.73606	0.5
64.06944	0.4
67.05142	0.6
67.05492	12.7
68.05814	3.2
69.07050	7.5
70.07379	2.3
71.04957	2.0
79.05476	10.7
80.05810	3.8
81.03391	2.6
81.07032	11.0
82.07352	3.2
83.04966	8.5
83.08598	8.5
84.05312	4.0
84.08932	3.2
84.24812	0.4
85.02872	1.0
85.06518	0.6
87.75455	0.5
91.05070	0.4
91.05470	6.1
92.05788	0.9
93.07022	12.0
94.07355	5.8
95.04948	20.2
95.08582	5.9
96.05281	10.9
96.08909	2.3
97.05456	0.8
97.06509	3.1
97.10137	4.3
98.06834	1.0
98.10477	2.2
99.04420	1.9
103.05428	0.4
105.07019	7.3
106.07352	3.0
107.04915	2.9
107.08562	8.8
108.05274	0.7
108.08913	4.7
109.02840	0.8
109.06503	3.4
109.09221	0.5
109.10145	2.2
110.06841	1.0
110.10496	0.9
111.04423	9.7
111.08060	2.5
112.04768	6.0
112.08404	0.9
113.04883	0.6
117.07017	1.0
118.07343	1.2
119.08569	3.4
120.08880	1.8
121.06483	0.9
121.09357	0.5
121.10098	4.2
122.03609	1.1
122.06786	0.5
122.10442	2.4
123.08027	2.1
125.05957	1.8
125.08763	0.7
125.09601	2.9
126.06323	0.8
126.09940	2.5
129.06966	0.7
131.04987	0.6
131.08510	2.7
132.08875	2.5
133.06451	0.7
133.10101	2.1
134.10431	1.8
135.04391	0.8
135.08035	0.8
135.11646	3.1
136.08344	0.8
136.11992	1.1
137.05951	17.2
145.10074	3.2
146.10376	3.8
147.08006	0.6
147.11674	1.9
148.08347	0.7
149.09601	6.3
150.09929	5.5
153.05415	3.5
153.12688	1.0
154.05769	2.5
155.05901	1.0
159.11623	0.6
163.11147	3.1
164.11488	6.5
165.09023	1.1
165.11662	0.8
178.12959	0.5
181.12143	0.9
182.12518	2.5
183.07974	4.1
183.12717	0.5
189.11177	2.0
190.11485	1.0
191.10550	1.1
192.10965	2.6
193.11230	1.0
196.05206	1.0
197.05913	2.2
206.12480	0.7
207.04370	0.8
209.11685	8.3
210.06886	0.5
210.12048	14.2
211.07504	33.6
211.12215	8.6
214.06145	0.6
221.05925	0.5
223.13229	3.5
224.13582	7.9
225.05437	3.8
225.09052	2.0
225.13869	3.1
229.08545	3.5
237.11217	1.9
238.11481	6.5
239.06987	56.5
239.11716	5.2
240.07578	0.6
242.05664	1.9
243.06506	1.0
253.08542	2.9
256.12555	1.0
257.08029	49.0
258.19284	0.6
263.10583	2.0
271.09384	0.8
272.10373	100.0
275.20117	0.7
276.20337	9.2
277.20599	5.3
281.11588	3.5
294.21387	8.1
295.18341	0.9
295.21744	6.7
312.18909	0.9
312.22491	1.9
313.14178	3.2
313.19168	1.1
313.22598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
55.05497	1.3
56.35319	0.4
56.67757	0.4
62.04387	0.5
64.28194	0.4
64.81900	0.4
65.37428	0.5
67.05512	0.5
77.07969	0.5
79.05473	0.7
81.07028	0.7
91.05454	1.0
97.43364	0.6
98.97555	0.9
100.93250	0.5
104.22387	0.5
105.06997	0.5
115.79815	0.6
116.98611	0.7
119.56781	0.5
121.10114	0.6
134.99638	0.6
151.03896	1.3
152.06033	0.5
155.36951	0.5
163.07416	0.9
165.06967	0.7
177.07040	0.6
179.08517	0.9
181.10229	0.8
183.08095	0.7
191.08540	0.7
192.09311	7.2
193.10077	1.2
197.06076	0.6
197.09587	0.7
198.06747	0.8
199.07500	2.0
202.07744	1.1
203.71510	0.6
205.06451	13.1
206.07344	0.8
207.07970	0.9
207.11664	11.2
207.98918	0.5
209.09645	0.7
211.07515	14.5
211.11031	0.8
212.08276	0.6
217.10086	2.2
219.08031	3.7
220.08797	20.2
221.09616	2.4
223.07504	6.5
224.08246	4.9
225.09120	3.2
231.08067	0.8
233.05957	12.3
234.06731	0.8
235.07541	0.8
235.11119	26.8
237.05421	1.2
237.09061	3.0
238.09825	8.1
239.06976	10.5
239.10666	2.0
245.09558	2.9
247.07425	1.1
248.08281	26.7
249.09045	2.3
251.06993	12.2
252.07639	4.4
253.08421	0.7
253.09415	0.8
253.12170	15.2
257.07996	5.3
262.09940	0.8
263.10617	12.9
265.08536	2.3
266.09317	14.4
267.10001	0.9
267.13736	0.7
272.10391	12.7
277.12161	0.6
280.10529	1.1
281.11658	100.0
282.12140	1.2
295.13181	14.7
313.14200	13.0
317.45718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88954	1.0
55.01885	3.6
55.05500	0.9
57.07056	1.2
60.21120	0.9
65.44672	1.0
67.05492	4.6
68.27588	0.9
69.07051	2.1
72.02151	0.9
76.21358	1.0
79.05476	12.2
81.03384	1.3
81.07053	5.4
91.05475	8.1
93.07052	1.1
95.04959	2.2
95.08593	5.8
103.05441	8.9
105.07018	63.1
109.06522	5.3
109.10111	2.1
119.04945	4.4
122.03629	6.8
123.04375	1.3
124.05206	1.5
127.19112	1.2
128.06207	9.1
128.90848	1.3
131.04892	2.0
133.06476	50.3
134.99574	1.4
137.05960	100.0
137.09627	1.4
143.08565	8.4
144.05557	1.3
149.05971	1.3
151.07533	14.3
161.05907	9.2
165.09085	59.2
171.08058	4.9
175.07590	1.4
189.09116	14.4
313.14297	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81393	1.1
79.05470	2.2
81.07078	1.4
91.05464	68.0
93.07090	1.4
94.04174	2.7
95.04965	10.5
103.05474	2.3
105.07038	1.4
107.04958	5.4
109.06524	2.6
115.05477	2.2
119.04919	44.7
121.06508	2.4
122.03635	8.1
123.06617	1.2
128.06200	15.7
129.06982	44.6
131.04950	2.4
135.08073	1.5
136.05220	9.0
136.91867	1.3
137.05963	99.3
145.06488	6.1
147.08015	1.5
149.05948	1.6
149.74692	1.1
151.03928	1.7
151.07529	100.0
151.63762	1.3
155.06061	1.7
156.05714	2.1
157.06461	22.0
159.37540	1.2
161.05983	1.9
161.09567	1.8
163.07602	1.8
165.07082	1.3
174.06728	20.7
175.07527	7.0
178.07765	5.7
183.28278	1.5
189.09082	54.2
192.09308	2.4
193.10042	11.5
193.34502	1.5
202.07764	6.0
203.08575	2.2
206.07324	2.6
220.09029	1.3
221.05995	1.3
221.09517	17.1
223.07483	2.0
241.08493	2.0
249.09070	8.6
253.12236	14.8
267.01675	1.1
267.10236	1.4
269.08038	5.8
281.11789	7.5
284.10541	2.8
313.10669	1.5
313.14322	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
56.05041	1.3
56.75742	0.7
59.86923	0.7
60.04518	61.6
62.75669	0.8
73.07674	3.1
76.04005	3.2
79.05478	21.0
83.33555	0.8
88.03951	6.7
89.03893	0.9
91.05489	0.8
92.64222	0.9
94.04182	1.2
95.04956	4.0
102.05525	14.0
103.05473	8.1
105.03394	3.4
107.04941	26.8
119.08150	22.0
121.06492	6.8
122.03635	4.9
124.05221	4.4
131.04909	26.3
133.02834	100.0
135.03389	0.9
135.04402	23.9
135.05376	1.1
135.50598	0.8
137.05954	32.1
149.05957	7.7
150.03123	5.5
150.06749	6.4
158.05945	0.9
163.03880	8.1
163.07556	8.3
165.05447	29.6
166.06207	1.9
166.24850	0.9
167.06995	9.9
177.05434	1.7
190.08646	4.9
195.06497	8.9
196.07326	1.5
207.98866	0.8
254.10306	0.9
313.13901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85004	0.7
56.63557	0.6
65.03912	1.6
67.05444	0.7
79.05459	1.6
81.07040	1.1
89.63683	0.7
89.74853	0.7
91.05460	67.7
92.08737	1.0
94.04168	3.1
95.04933	11.7
102.86113	0.7
103.05443	1.4
104.41664	0.7
105.06996	3.0
107.04921	3.8
109.06499	1.9
115.05424	3.0
117.06990	1.2
118.94432	0.8
119.04918	44.3
121.06448	1.3
121.67970	0.7
122.03617	10.9
128.06194	18.1
129.06976	42.3
131.04898	4.2
131.08501	1.6
132.05721	1.2
133.06436	3.7
136.05145	7.4
137.05957	100.0
143.04880	1.0
145.06506	3.4
146.07245	1.3
149.05978	1.3
151.07521	98.9
156.05685	3.9
157.06476	21.1
157.07652	1.2
158.07268	0.9
161.05916	3.0
161.09607	1.4
163.07521	1.6
165.06876	1.3
174.06720	20.1
175.07495	8.3
176.08313	0.9
177.09090	1.5
178.07739	8.5
179.08553	1.1
181.00992	0.7
181.06485	1.0
189.09065	52.2
192.09460	1.3
193.06407	1.0
193.10088	9.5
195.08025	1.5
197.05931	1.7
202.07796	1.3
203.08539	4.9
206.07224	1.5
209.06006	1.3
210.06735	1.7
212.08340	1.5
219.08113	1.3
220.08873	1.6
221.06155	0.9
221.09578	15.6
221.11569	1.1
223.07584	1.1
225.09077	1.9
234.06726	1.2
238.09879	3.2
248.08330	1.0
249.09035	9.0
253.12175	14.9
269.08044	4.8
272.10199	1.4
281.11676	5.7
284.10437	1.3
302.30539	0.8
313.14270	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	312.3259
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.05272	1.2
55.05506	25.2
57.03409	0.8
57.07070	9.5
58.06575	1.7
62.06087	8.2
67.05476	1.2
69.07050	19.2
71.08608	2.1
81.07014	0.9
82.85028	0.9
83.08611	8.4
85.71532	0.9
95.08623	1.2
97.10123	4.2
102.91167	1.0
105.88015	0.9
111.30630	0.9
163.35046	1.2
202.50470	1.0
210.12003	2.4
219.30295	1.0
238.11519	1.4
248.73369	1.0
273.98712	1.1
294.13995	1.1
294.31485	4.3
312.32550	100.0
313.27536	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69804	0.6
53.03938	0.9
56.05024	1.8
57.07497	0.7
59.85915	0.7
60.04511	52.3
64.87607	0.6
69.54875	0.8
73.07651	1.6
76.03974	3.5
77.03892	1.1
79.05474	13.4
88.03967	7.8
91.05471	1.3
94.04208	0.8
95.04947	3.9
98.97578	1.1
102.05510	13.6
103.05437	7.9
105.03373	4.6
107.04939	20.0
117.03327	0.9
119.08150	22.7
121.06485	7.7
122.03625	3.4
124.05174	3.6
131.04897	25.8
133.02824	100.0
135.04393	19.2
137.05951	31.8
146.05991	1.3
149.05951	5.0
150.03099	1.7
150.06750	4.3
151.07489	0.9
163.03897	6.0
163.07452	6.4
165.05435	30.8
166.06279	1.4
167.06973	9.7
177.05400	1.0
178.08562	1.7
190.08582	3.2
195.06444	6.2
254.10281	0.8
270.39713	0.7
313.13870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01852	3.9
55.05502	1.1
57.03435	6.6
61.02920	12.1
63.38482	0.6
64.48142	0.6
69.03081	1.1
69.03423	23.4
69.07060	14.8
69.96423	0.6
70.06593	0.7
71.04967	3.5
73.02893	4.4
73.06526	1.1
74.18541	0.6
81.03403	9.0
83.01338	0.7
85.02894	100.0
85.67701	0.5
87.04449	1.4
87.08095	12.5
91.03927	5.6
95.05082	0.7
97.02877	28.6
97.06534	0.7
99.04435	4.9
101.06002	1.3
109.02882	8.6
115.07558	4.5
121.43654	0.7
125.06831	0.6
127.03897	18.4
133.08589	4.5
145.04958	26.9
147.04382	0.7
151.03874	1.3
152.04289	0.9
163.05975	7.8
180.15318	0.6
186.97130	0.8
204.10114	0.9
242.67645	0.8
279.36996	0.7
290.05539	0.7
295.13739	1.1
308.24963	0.6
327.95758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
54.41704	1.2
54.81887	1.5
55.01869	2.5
55.05502	27.5
57.03432	6.0
57.04807	1.2
57.07064	8.9
67.05143	3.0
67.05492	63.2
68.47092	1.4
69.07053	23.2
71.04981	3.0
79.05473	37.7
81.07039	78.9
83.04948	3.4
83.08617	14.5
84.27376	1.8
85.06525	3.2
91.05463	37.1
93.07024	55.2
95.04951	9.2
95.08580	46.0
97.06493	11.9
97.10159	1.7
99.08052	1.6
105.07018	35.8
107.04929	3.7
107.08575	23.5
109.06516	10.6
109.10157	20.4
111.08046	6.9
117.07019	7.7
119.08563	19.6
121.10111	11.9
123.08071	2.3
123.11680	3.9
129.06981	7.3
131.08551	10.0
133.10095	16.3
135.11685	9.7
137.09641	2.3
137.13187	1.8
143.08566	6.8
145.10126	6.8
147.11661	12.8
149.13271	5.9
151.11162	2.4
157.10120	2.9
161.09604	2.3
161.13237	10.7
171.11685	9.8
175.11310	1.7
175.14859	6.6
185.13254	2.7
189.12740	2.4
216.99255	1.7
219.34091	1.6
231.21030	11.3
241.19530	6.5
249.22107	3.6
259.20544	7.9
266.21979	1.6
277.18552	3.3
277.21576	100.0
295.22595	10.9
312.32349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01868	0.4
57.48170	0.3
61.02905	0.7
66.19629	0.3
69.03426	1.5
69.07053	3.8
71.04975	0.3
73.09513	0.3
81.03385	0.3
82.50667	0.3
85.02885	3.8
91.03888	0.3
92.08638	0.6
95.04901	0.5
97.01244	0.3
97.02863	1.6
97.06519	0.3
98.97637	0.4
104.04991	4.2
113.05956	0.3
115.07548	4.0
116.98602	0.3
118.06565	0.3
127.03880	0.4
132.04433	100.0
133.08557	0.7
137.05951	2.7
141.05426	0.4
150.05469	4.2
151.03844	1.5
152.04181	0.5
160.66003	0.3
167.53766	0.3
175.39813	0.3
194.97334	4.1
208.79024	0.3
208.98918	3.4
211.97661	2.0
212.98425	6.7
226.99928	0.7
227.42577	0.3
235.97659	0.4
250.99940	1.5
253.98741	1.1
309.74860	0.3
312.10580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1076
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
57.03438	0.3
58.88633	0.2
61.02907	0.2
67.25072	0.2
68.24528	0.2
69.03410	0.6
69.07054	3.1
69.13558	0.2
72.08146	0.5
73.06531	1.2
81.03347	0.2
81.83046	0.2
85.02895	2.4
87.86298	0.2
95.04902	0.5
97.02851	0.5
97.06538	0.5
97.91125	0.2
104.04974	5.0
115.07555	3.5
132.04433	100.0
132.95824	0.3
133.08623	0.5
150.05502	3.6
280.88367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01847	0.3
57.03423	0.7
57.07579	0.1
61.02898	0.9
61.82996	0.2
69.03423	2.7
69.07033	0.2
72.08100	0.2
73.02904	0.8
74.09711	1.9
79.05474	0.9
80.87876	0.2
81.03391	1.0
84.08102	0.2
85.02889	4.0
87.04460	0.4
92.68594	0.2
96.77264	0.2
97.02876	1.5
97.06528	0.4
99.04440	0.2
109.02852	0.3
109.05096	1.0
115.03923	0.2
115.07526	0.2
127.03886	0.2
132.10252	0.2
133.05067	10.7
136.06174	1.7
145.05009	0.2
150.07729	100.0
154.94119	0.2
156.43968	0.2
221.97377	0.2
267.15015	0.2
268.94852	0.2
286.79257	0.2
312.12973	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	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
53.04163	1.4
54.53001	1.5
57.03431	74.5
60.04512	2.1
69.03404	9.1
69.07047	6.3
70.06570	9.8
71.04982	23.4
72.08148	1.9
73.02883	2.0
75.04459	8.1
79.05465	2.1
80.64587	1.4
81.03404	3.5
83.83312	1.5
84.08120	2.3
85.02892	30.6
87.04451	3.0
89.05454	3.2
89.06013	100.0
97.02843	10.2
97.06499	12.7
99.04443	10.4
107.04964	3.0
107.38384	1.8
109.02857	2.7
109.95895	1.5
115.07558	28.2
127.03881	3.9
127.76970	1.5
131.57544	1.8
133.03139	8.0
133.08574	29.7
147.31685	1.8
213.12396	1.7
250.69252	1.6
314.85608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.75565	1.1
53.00307	1.3
54.34371	1.6
55.05506	80.6
57.03179	1.6
57.03431	29.9
57.07066	36.9
59.41946	1.3
67.05183	1.3
67.05490	9.9
69.07055	77.3
71.08603	13.5
73.02904	1.8
79.05479	6.2
81.07043	11.5
82.49454	1.6
83.08601	50.0
85.10166	6.9
91.05474	1.9
93.06996	10.8
95.08595	9.3
97.06506	6.6
97.10150	30.2
100.32326	1.6
107.08593	3.5
109.10110	2.1
111.08060	2.3
111.11698	5.9
121.10120	2.7
135.11691	2.7
150.46567	1.5
209.11662	3.0
237.11284	2.7
269.41315	1.6
311.25748	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03934	2.4
55.01863	2.0
55.05508	94.9
57.03431	34.6
57.06822	2.3
57.07072	40.8
61.73686	1.2
64.33042	1.3
65.65967	1.3
67.05492	12.8
69.07057	82.7
69.43177	1.3
71.08627	16.9
72.54191	1.3
79.05475	12.0
81.07046	14.5
83.04955	3.0
83.08609	64.6
85.10170	3.5
93.07040	13.1
95.08582	9.9
97.06524	7.0
97.10155	30.6
107.08579	3.9
111.04403	5.6
111.11686	3.7
121.10109	7.6
121.51452	1.7
135.11633	2.9
139.11142	1.4
153.05414	1.9
191.10588	2.7
209.11702	20.2
237.11211	6.6
293.21161	2.2
311.25766	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	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	6.0
55.01859	6.0
55.05502	46.8
57.07056	34.6
65.24374	5.4
67.05479	37.1
69.07059	63.6
79.05454	38.6
81.07047	45.3
91.05482	47.4
93.07022	100.0
95.04950	70.9
95.08581	90.7
97.06515	29.9
100.30357	6.2
105.07019	76.2
107.08581	50.6
109.06460	7.6
109.10126	33.4
111.04436	8.1
117.07006	11.7
119.08566	76.3
121.06487	12.6
121.10106	39.9
123.08017	10.7
123.11713	7.4
125.06033	7.8
130.07698	8.2
131.08519	24.2
133.10127	41.4
135.11595	7.2
138.62442	7.3
142.07762	7.2
143.08595	9.1
145.10132	45.6
147.11665	29.3
151.42076	6.1
153.05435	8.3
157.10085	32.2
159.11638	34.1
171.11652	9.5
171.68697	6.8
173.13197	9.2
177.16347	7.8
185.13258	6.5
189.16402	8.9
191.10712	8.9
201.16231	7.9
209.11664	71.1
237.11165	31.7
247.90979	5.9
255.12337	6.4
307.64154	6.5
311.18491	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03942	6.0
55.01871	25.4
55.05507	59.3
57.03430	15.3
57.07065	16.0
58.56716	1.2
62.50485	1.2
65.03934	2.2
67.05495	100.0
68.41409	1.4
69.03438	5.4
69.06676	1.5
69.07057	51.9
71.04981	11.4
71.08626	7.4
79.05482	48.5
81.03384	13.1
81.07043	97.0
83.04978	19.6
83.08612	21.8
83.66817	1.4
85.02912	1.9
85.06532	13.2
85.10183	3.2
91.05465	53.5
91.52229	1.4
93.07030	45.6
93.20609	1.5
95.04958	26.2
95.08587	42.2
95.35828	1.3
97.06524	10.4
97.10152	13.2
99.04442	5.4
103.05432	1.7
105.07019	61.4
107.04963	10.4
107.08584	47.7
109.06489	13.0
109.10146	79.6
111.04409	11.3
111.08077	6.5
111.11693	1.7
117.07015	8.9
119.08578	19.5
121.06527	7.0
121.10098	11.8
123.04392	2.1
123.08060	9.9
123.11678	14.1
125.09625	2.6
129.07021	2.5
131.08549	11.8
132.17934	1.6
133.10117	68.1
135.04420	21.4
135.08043	1.9
135.11688	8.2
137.09602	13.0
141.09079	1.8
143.08493	2.2
145.10139	11.2
147.11717	6.4
149.09624	6.7
149.13290	2.1
151.11171	32.6
153.05464	2.2
153.12762	2.5
155.08598	1.7
159.11684	2.8
161.09584	14.7
163.11145	7.6
169.12256	6.3
173.13240	2.0
179.10617	2.4
189.12727	1.7
191.10751	1.5
205.12314	1.4
209.11751	7.8
229.19637	1.9
247.20532	6.8
257.19061	2.9
265.21521	2.2
275.20059	34.4
293.21072	44.9
311.25681	23.6
325.29233	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29794	2.3
54.23361	2.4
55.01867	4.6
55.05519	22.3
55.91558	2.8
57.07061	35.4
57.31054	2.4
60.36095	2.7
63.92868	2.8
65.97112	2.8
67.05514	25.6
69.07052	18.3
72.04501	6.1
79.05479	40.1
81.07045	75.7
83.04988	7.5
91.05460	33.7
93.07025	67.5
95.04946	33.9
95.08590	59.0
97.06506	19.3
105.07008	66.9
107.07963	2.9
107.08569	26.4
109.02859	6.0
109.06491	11.7
109.10131	10.6
111.04446	20.5
117.07011	12.1
119.08575	34.9
121.06505	6.3
121.10141	26.6
123.08076	5.3
123.11693	57.7
125.05984	4.4
129.07014	4.1
130.07762	3.7
131.08569	17.1
131.17577	3.0
133.10077	21.1
143.08531	18.9
144.09285	4.1
145.10110	33.4
147.11711	5.4
153.05486	24.1
156.09326	7.5
157.10146	13.0
159.11670	15.6
163.11209	4.5
169.10048	4.2
171.11655	5.2
181.04848	3.5
181.12204	5.4
191.10689	13.5
209.11681	100.0
219.17294	3.4
237.11200	37.8
255.12219	6.2
255.17397	3.2
293.17474	6.9
311.18408	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.09247	1.6
53.03940	2.5
55.01870	42.3
55.05507	52.6
57.03418	2.2
57.07062	22.0
62.47239	2.0
67.05494	49.6
69.03400	10.9
69.07052	24.7
71.04969	3.5
74.52732	2.0
79.05474	52.1
81.03400	11.1
81.07040	48.9
83.04968	41.6
83.08595	22.6
85.02872	9.2
85.06516	2.1
89.48499	1.9
91.05459	25.5
92.08626	5.8
93.07024	44.5
95.04949	100.0
95.08581	25.1
97.06514	7.5
97.10146	9.3
99.04449	11.0
105.07024	24.7
107.04945	28.8
107.08576	28.5
109.06506	13.5
109.10153	14.1
110.73299	1.8
111.04427	85.6
111.08072	21.0
117.07019	12.6
119.08600	14.4
119.36862	2.2
121.06522	3.3
121.10121	14.9
123.08006	4.1
125.05957	4.4
125.09642	3.7
131.08562	13.7
133.10121	14.3
135.08083	2.8
135.11690	9.8
137.09628	8.6
139.11209	2.5
145.10155	19.6
147.11673	2.8
149.09610	20.2
153.05423	13.9
159.11646	9.0
161.29131	2.0
163.11127	27.0
165.12761	2.7
167.10710	2.5
177.12642	2.1
181.12256	8.0
187.11208	3.0
189.11215	7.9
191.10606	7.7
191.14066	2.5
191.93889	2.1
205.12125	2.7
209.11699	56.1
218.59773	2.2
223.13226	33.4
237.11115	24.0
237.14699	2.1
255.12276	4.0
275.19934	29.5
293.17770	4.8
293.21033	81.0
311.18384	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03935	7.4
55.01867	21.1
55.05505	80.7
57.03430	21.7
57.07067	44.4
57.98418	1.5
60.59723	1.5
67.05145	3.5
67.05495	100.0
69.03405	3.9
69.07058	67.2
71.04971	10.7
71.08604	9.0
71.97514	1.6
79.05476	48.6
81.03405	6.4
81.07038	88.2
83.04972	23.5
83.08595	41.4
85.06524	12.0
85.10165	8.0
91.05453	41.1
93.07022	52.8
95.04948	23.2
95.08578	46.5
97.02842	4.4
97.06483	12.3
97.10149	16.2
99.04418	8.0
105.06363	2.8
105.07013	44.6
107.04942	9.0
107.08582	45.3
109.06505	11.7
109.10146	47.1
111.04431	33.9
111.08056	7.4
113.09605	3.1
117.06990	10.1
119.08559	14.3
121.06474	7.5
121.10144	19.1
123.04404	1.9
123.08039	10.4
123.11682	9.0
125.05997	3.7
125.09612	9.3
131.08527	11.7
131.09431	2.3
133.10107	35.6
135.08038	2.7
135.11676	13.7
137.09576	10.9
139.11159	1.8
143.08557	2.2
145.10110	9.1
147.11662	3.4
149.09587	12.8
149.13237	3.3
151.11153	10.8
153.05418	2.0
153.12715	8.7
159.11687	6.6
163.11127	8.7
163.14758	3.0
169.12166	2.2
177.12723	2.2
181.12250	2.9
205.19583	2.7
209.11678	13.0
223.13126	1.8
229.72241	1.9
237.11099	2.7
247.20470	12.8
257.18921	3.4
265.21555	8.9
275.20038	34.2
292.13974	2.0
293.17737	3.4
293.21063	92.3
311.22220	3.9
311.25702	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.58056	1.1
51.88484	1.0
52.49487	1.2
53.03931	3.5
55.01855	9.0
55.05506	35.6
57.03424	5.8
57.07058	1.4
59.04959	2.1
65.03918	2.2
67.05153	2.2
67.05496	65.1
69.03410	2.5
69.07056	30.2
71.04948	3.3
79.05478	60.4
81.03391	1.9
81.07040	100.0
83.04951	8.5
83.08592	15.4
85.06534	2.6
91.05460	62.8
91.73367	1.5
93.07027	60.3
95.04954	13.3
95.08016	2.4
95.08594	55.1
97.06502	8.7
97.10130	6.0
103.05451	2.6
105.04588	1.5
105.07014	71.8
107.04954	3.6
107.08583	37.5
109.06503	11.9
109.10139	31.5
111.08073	2.7
115.05392	1.6
117.07024	15.8
119.08558	50.0
121.06467	7.9
121.10123	27.4
123.08030	9.9
123.11673	5.9
125.09616	6.3
129.06975	7.8
131.08560	28.6
133.06525	2.4
133.10112	43.2
135.08005	5.5
135.11726	10.0
137.09595	5.9
143.08516	5.5
144.38072	1.3
145.10118	24.3
147.08009	1.6
147.11674	23.9
149.09612	15.7
149.13208	8.7
151.11139	6.6
155.08539	1.6
157.10091	2.4
159.11633	14.2
160.33755	1.5
161.13199	5.6
163.11188	13.3
165.12703	1.7
169.10074	2.4
171.11665	3.4
173.13206	6.4
175.11086	2.5
175.14713	1.5
177.12743	2.2
183.11624	2.7
185.13229	2.3
187.11163	1.4
187.14914	1.8
197.13248	2.7
205.12328	1.8
213.16370	1.8
229.19604	2.5
230.18839	1.5
235.16805	3.3
239.17853	6.7
247.20493	2.9
257.18976	16.0
265.21426	1.5
275.20020	97.4
293.21048	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03926	0.5
55.01870	3.2
55.05506	19.3
56.07506	0.3
57.03424	0.6
57.07071	3.0
59.04982	0.3
61.82436	0.3
62.72005	0.3
63.06780	0.3
65.03927	0.3
67.05495	9.3
69.03403	2.0
69.06722	0.5
69.07059	10.4
71.08255	0.6
71.08619	12.6
73.20782	0.3
74.31697	0.3
78.04651	0.3
79.05059	0.4
79.05479	10.4
81.03394	2.6
81.07039	10.1
83.04962	3.1
83.08614	8.5
91.05470	4.9
93.07021	5.6
95.04955	7.1
95.08591	4.5
97.06506	0.6
97.10157	7.1
98.61496	0.3
99.08077	4.6
105.07023	2.8
107.04950	5.0
107.08584	4.5
108.05702	1.8
109.06475	3.1
109.10147	1.2
111.04411	0.6
111.08080	0.7
112.13156	0.3
117.06991	1.8
119.08556	1.6
121.06483	8.8
121.10137	0.8
123.07996	0.5
125.09599	3.5
131.08553	1.8
133.10118	0.8
135.08028	0.7
135.11652	0.4
147.11633	0.4
149.09625	0.5
151.11151	2.2
159.11731	0.4
163.11217	0.4
164.11957	2.0
165.12714	1.8
167.10567	0.4
175.11165	0.4
177.12732	2.8
181.12216	0.4
189.11220	0.7
193.12285	0.5
209.11778	2.5
211.13217	1.3
237.11151	1.2
237.14804	1.3
247.20497	0.4
257.19131	0.4
275.20068	4.0
293.21063	100.0
294.21436	0.5
320.70630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.98322	1.4
53.03942	3.8
55.01867	16.9
55.05507	60.2
57.03425	7.4
57.07072	13.8
65.03985	1.6
67.05141	4.1
67.05495	100.0
69.03407	4.2
69.07063	34.7
71.04966	9.0
74.73322	1.7
79.05478	67.3
81.03411	12.5
81.07040	86.4
83.04956	21.0
83.08601	25.3
85.06533	2.9
85.61246	1.8
90.79311	2.0
91.05460	66.9
91.55262	1.8
93.07027	67.9
95.04958	37.7
95.08592	64.1
97.02890	4.2
97.06503	15.5
97.10150	7.2
101.05975	2.2
103.05479	2.5
105.07022	65.2
107.04953	16.1
107.08581	44.3
109.06516	13.1
109.10145	42.7
111.04414	6.3
111.08057	8.3
115.05444	2.3
117.07004	26.5
119.08569	41.3
121.06477	10.0
121.10143	29.7
123.08041	10.8
123.11689	3.7
125.09656	9.4
128.06209	1.8
129.06964	3.1
130.07764	2.1
131.08565	26.9
133.10110	43.1
135.08025	7.0
135.11671	15.7
137.09630	8.3
143.08583	3.9
145.06491	2.1
145.10123	31.5
147.08003	3.5
147.11632	13.3
149.09612	38.0
149.13281	2.8
151.11174	11.8
152.30786	1.8
153.05420	3.1
155.08510	6.5
157.10124	3.2
159.11667	12.8
161.13278	4.3
163.11162	31.6
165.12773	2.5
169.10143	2.7
171.11694	3.7
173.13271	9.1
175.11053	2.0
177.12752	2.6
187.14874	2.5
193.04922	4.3
197.13219	3.4
209.11676	19.2
215.17715	3.1
223.13286	10.7
229.19383	2.5
237.11200	9.8
239.17963	8.6
247.20375	4.3
257.18951	16.4
265.21576	2.3
275.20026	70.5
293.21060	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	311.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.7
53.03950	1.9
53.47507	1.3
53.98785	1.4
55.01877	8.2
55.05502	30.5
55.46352	1.7
57.03435	3.8
57.07080	8.5
67.05490	57.6
69.03419	31.0
69.07059	20.6
71.04979	2.2
79.05470	45.8
81.03425	3.2
81.07039	100.0
82.90096	1.7
83.04975	4.9
83.08624	12.1
85.06570	1.9
91.05462	43.8
93.07033	34.6
95.04984	11.0
95.08592	30.7
97.06530	9.0
97.10159	2.1
99.10924	1.9
105.07016	46.6
105.07643	2.3
107.04974	3.2
107.07915	3.7
107.08549	24.0
109.06544	12.9
109.10150	19.2
111.04467	7.9
111.08071	2.3
117.07034	8.5
119.08536	27.1
121.10180	13.1
123.08125	9.2
125.05958	3.0
131.08597	12.8
133.10088	27.0
135.08069	2.8
135.11697	9.2
143.08554	2.3
145.10156	10.5
147.11647	17.3
149.09619	7.4
151.11206	3.8
156.15900	2.3
157.10146	3.2
163.11278	2.4
191.10759	2.5
195.13860	2.8
209.11696	18.6
224.20732	2.5
235.16924	15.3
237.11272	7.5
257.19080	3.3
268.85992	1.9
275.19995	43.7
293.21082	9.4
316.08984	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.70284	1.0
52.92302	0.9
53.03935	2.1
53.20452	1.0
53.75321	1.0
55.01874	9.9
55.05507	23.2
57.03422	3.0
66.41348	1.1
67.05491	40.1
69.03457	1.3
69.07059	20.9
71.04984	1.6
79.05475	40.4
80.68847	1.1
81.03407	4.2
81.07040	100.0
83.04964	5.6
83.08587	9.4
84.90181	1.2
85.06541	2.5
91.05466	30.3
91.89346	1.2
93.07030	30.6
95.04967	14.5
95.08579	26.4
97.06516	7.5
99.08104	1.2
105.07018	28.9
107.04935	9.7
107.08590	16.3
109.06509	18.5
109.10144	9.5
113.61840	1.2
117.07005	9.5
119.08548	21.4
121.06502	7.3
121.10132	10.5
121.22033	1.2
123.08084	9.2
123.11674	5.0
127.87018	1.2
129.07004	2.0
131.08556	10.6
133.06516	1.5
133.10095	11.6
135.07990	3.5
135.11702	6.2
137.09599	1.7
143.08528	1.7
145.10118	8.1
147.11673	11.1
149.09612	6.7
149.13228	1.4
151.11205	1.6
157.10077	1.7
159.08022	1.1
159.11699	5.7
161.13203	1.3
163.11189	2.9
165.12729	1.9
173.09521	1.8
175.11153	1.9
177.12756	2.5
179.14197	1.3
193.12274	1.8
214.94615	1.2
239.17885	2.0
257.18881	4.0
275.20029	29.0
293.21008	11.3
320.66434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.00309	2.2
53.03944	3.2
55.01859	15.4
55.05505	82.9
57.03393	3.0
62.52011	2.9
66.65055	2.2
67.05492	44.4
69.03424	3.4
69.07059	22.3
71.05008	5.2
71.08627	19.4
72.77665	2.8
79.05486	41.7
81.03408	14.6
81.07039	58.1
82.77240	2.5
83.04971	23.4
83.08607	42.4
91.05462	21.7
93.07025	27.3
95.04935	40.7
95.08585	24.3
97.06527	5.4
97.10146	40.2
99.08066	4.8
105.07014	18.1
107.04966	5.1
107.08591	32.1
109.06510	6.8
109.10155	12.5
111.04433	14.8
111.08043	6.2
116.73006	2.9
116.85399	2.8
117.06998	3.6
119.08556	13.5
121.06484	3.4
121.10118	12.0
123.08043	4.1
124.50315	2.6
125.09619	24.1
131.08569	11.1
133.10097	5.7
135.08069	4.9
135.11693	5.3
137.67888	2.9
145.10135	10.8
147.11612	4.7
149.09561	11.4
153.09093	5.6
163.11154	30.5
165.12738	3.5
175.11145	4.4
177.12740	3.5
189.11209	14.7
195.13753	5.5
211.13161	3.1
217.76479	2.6
218.01324	3.0
223.13269	6.9
275.20023	21.1
290.90393	3.0
293.21069	100.0
311.05444	3.4
311.22098	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	311.2212
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.00299	2.9
53.03931	4.4
54.81675	0.8
55.01863	12.1
55.05505	34.2
57.03429	8.4
57.07064	11.8
58.02121	0.8
59.04967	0.9
65.03919	1.7
65.45018	0.7
67.05490	56.8
68.05830	0.8
69.03411	9.5
69.07054	24.6
71.01347	0.7
71.04971	4.6
74.67564	0.8
79.05478	48.9
80.05791	0.8
81.03385	4.4
81.07039	100.0
82.07381	1.7
82.73809	0.7
83.04964	13.0
83.08612	11.5
85.06517	1.6
89.22117	0.7
91.04886	1.5
91.05460	42.2
92.05808	1.1
93.07021	39.6
95.04948	14.2
95.08585	35.3
96.08910	1.0
97.06493	10.1
97.10150	3.4
99.08083	1.0
105.07014	45.4
107.04939	7.4
107.08574	30.4
109.02828	1.0
109.05804	1.2
109.06503	15.6
109.10139	18.9
111.04440	9.0
111.08066	5.2
117.06989	10.5
119.08558	28.5
121.06464	4.8
121.10128	16.0
122.79971	0.8
123.08062	10.1
123.11684	4.7
125.05941	2.9
125.09631	3.3
127.07482	0.9
129.06975	6.5
129.52292	0.9
131.08542	17.2
133.06473	1.1
133.09174	1.4
133.10115	28.0
135.04352	1.2
135.08037	5.4
135.11662	8.7
135.53996	0.9
137.09647	4.6
139.11127	0.9
141.06982	1.2
143.08513	3.8
145.10107	15.7
147.11684	15.8
149.09618	9.0
149.13234	3.4
151.11221	5.6
153.05408	6.3
155.08575	1.3
157.10129	5.4
159.11659	6.7
161.13234	3.4
163.11156	7.7
165.12762	3.7
169.10112	1.2
171.11653	1.2
173.13168	3.3
175.11128	1.9
175.14764	1.5
177.12727	1.3
177.18600	0.8
181.12234	4.8
185.13210	1.8
191.10623	5.0
197.13240	1.6
199.14862	1.3
203.14294	1.5
209.11687	30.7
223.13347	1.4
228.51831	0.9
229.19455	1.3
235.16904	4.9
237.11185	14.0
239.17943	1.3
247.20541	1.7
255.12199	3.1
257.18994	5.0
263.20078	1.9
265.21570	3.4
275.20013	47.4
293.17584	1.6
293.20816	11.5
311.18423	1.4
311.21909	1.3
333.38593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1639
Annotation	Myricarborin
Peak:m/z	Relative Intensity
51.89507	0.7
55.05497	1.8
57.03435	1.0
57.07063	8.6
63.18094	0.7
67.13648	0.9
68.99783	4.2
69.07070	1.2
70.35612	0.9
80.55894	1.0
81.07016	0.9
91.05447	1.6
95.04967	1.7
105.03409	1.0
105.07034	3.8
107.08581	0.8
109.06515	1.9
111.04388	1.3
112.24850	0.9
125.06012	2.1
135.04398	57.8
146.07249	6.2
147.04419	1.5
153.05450	2.0
161.09586	100.0
172.00346	1.1
177.05460	5.4
191.10616	1.7
203.10632	1.3
209.11679	10.9
234.34857	0.8
237.11197	4.1
254.37984	0.9
255.12408	1.6
311.16315	33.0
311.25604	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	311.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12835	1.0
55.05506	1.7
56.85472	1.1
57.28407	1.0
60.28629	1.0
67.05496	2.0
69.07041	1.2
79.05455	1.2
81.07027	4.8
81.96337	1.1
93.06970	1.9
95.08604	1.7
105.07042	1.8
107.08552	2.0
137.05957	1.5
139.38905	1.1
139.58545	1.3
147.04416	1.6
149.66331	1.0
153.08321	1.4
169.86098	1.3
191.14235	1.1
260.40768	1.6
311.18243	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	311.2213
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03937	1.8
55.01868	9.6
55.05505	22.2
57.03432	2.3
57.07068	46.6
57.90853	1.8
64.32995	1.8
67.05491	17.0
68.05807	1.7
69.03401	2.4
69.07058	11.0
71.63574	1.7
72.37984	1.6
79.05470	20.8
81.03414	3.0
81.07037	19.0
83.04976	20.8
83.08596	12.0
85.02892	3.1
89.28210	1.8
91.05459	10.2
93.07024	19.3
95.04948	45.4
95.08590	7.2
96.22459	2.0
97.06487	3.8
97.10133	4.4
99.04459	2.4
105.06982	14.0
107.04945	10.3
107.08559	20.4
109.02880	7.2
109.06470	2.7
109.10146	8.7
111.04424	45.6
111.08052	3.9
117.07017	2.2
119.08583	9.0
121.06528	2.7
121.10132	10.6
123.08046	2.7
125.05979	15.8
125.09634	8.8
131.08554	10.7
133.10091	4.1
135.04327	2.9
135.11681	3.5
145.10112	9.3
147.11722	2.3
149.09636	16.9
153.05434	28.1
153.12776	3.0
155.46129	1.9
163.11163	23.5
173.09576	2.7
181.04871	2.6
181.12230	16.0
189.11221	8.5
191.10637	24.3
209.11697	100.0
223.13255	17.0
237.11166	46.1
255.12238	16.4
257.18912	2.3
265.18048	2.0
275.19962	22.0
293.17569	6.4
293.21051	17.3
311.18494	7.0
311.21771	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	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
71.57715	0.9
74.48794	1.0
75.55811	1.0
77.89920	0.9
79.05460	4.1
81.07032	2.4
88.28143	0.9
91.05460	5.3
94.04143	6.8
103.05438	1.6
105.06989	8.5
109.06536	6.0
115.05436	5.3
118.51733	1.0
122.03619	15.5
128.06244	1.0
129.07001	5.2
131.04895	1.4
133.06445	7.8
137.05951	100.0
144.05618	1.7
145.06534	1.3
149.05930	1.9
155.04890	8.6
155.05934	1.0
159.08037	6.5
161.05934	9.6
165.06981	4.5
172.05214	1.9
174.37738	0.9
179.08456	1.3
180.09302	1.8
187.07542	16.3
189.06998	12.8
190.07748	45.6
191.08514	82.4
193.06419	1.5
201.06970	1.8
202.07803	2.4
203.08588	2.2
205.06462	1.8
207.08008	7.6
208.08762	7.9
217.06480	1.5
218.07227	23.4
219.08002	80.7
220.08781	8.2
221.05849	1.6
229.07753	4.1
230.53352	1.0
233.09607	1.9
235.07425	9.3
236.08273	18.2
237.09175	2.2
246.06705	1.3
247.07484	22.7
248.08363	1.9
251.10599	95.8
253.08562	5.1
261.09021	1.6
264.07837	7.8
265.08569	2.1
279.10126	41.4
280.10800	4.9
281.08054	6.2
296.10342	4.8
311.12671	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	311.1275
Annotation	Anolignan A
Peak:m/z	Relative Intensity
50.36513	5.5
51.36636	5.1
54.82049	5.8
55.01860	8.6
55.05503	26.0
56.37974	5.1
56.80802	5.5
56.96550	6.0
60.37923	5.8
67.05482	40.9
69.03386	5.5
69.07079	22.2
69.39478	5.8
79.05498	10.1
80.23628	6.2
81.07031	36.0
83.04951	9.9
83.08601	8.3
89.20599	6.8
91.05434	46.5
92.33508	6.9
93.07056	47.4
95.08576	11.9
97.06504	12.4
100.07558	14.7
103.05437	39.1
105.07005	14.7
107.04951	15.3
107.08579	34.4
109.10122	8.0
111.04441	35.8
115.05446	8.2
117.07008	14.2
119.08548	38.3
121.10118	12.6
123.04386	90.2
124.07549	10.8
128.06177	12.6
129.06989	11.7
131.04951	33.5
133.10197	6.9
135.04379	91.7
135.08037	13.4
136.07549	7.2
137.05980	32.8
143.08553	32.1
147.04414	12.4
147.08005	63.3
149.05951	28.5
149.13228	64.2
161.05945	33.1
163.07492	100.0
171.07999	32.1
175.07507	88.5
184.16814	46.8
189.09081	41.8
191.08397	9.2
203.73463	7.2
219.08049	12.5
241.99161	7.3
266.21066	54.1
269.12244	8.6
294.20596	75.8
311.12653	90.5
311.23178	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	311.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02087	0.5
56.96539	0.9
57.03435	0.7
58.30598	0.5
58.74030	0.5
62.39756	0.5
69.03403	0.6
70.06583	0.6
72.08150	0.6
73.02910	0.8
79.05445	0.6
79.95591	0.5
81.03400	0.6
84.08130	0.5
84.96034	0.7
86.09669	0.7
91.05452	2.5
95.04932	0.9
96.04447	0.9
97.02838	1.1
98.97540	2.5
103.05450	0.9
104.52811	0.5
105.06981	0.6
116.98589	2.2
119.04916	2.4
121.06474	2.7
124.07533	2.3
131.04872	2.6
134.06036	0.6
136.07483	1.2
137.06020	1.8
137.07025	0.8
142.49393	0.6
147.04355	2.5
151.03867	1.1
154.08635	0.6
161.05826	0.5
161.10728	0.6
163.07607	0.7
164.09451	1.1
173.10648	0.6
177.00606	0.5
177.10207	3.5
178.10919	0.8
184.95947	0.7
187.08592	0.9
189.10185	0.8
190.10938	2.5
191.11787	0.6
201.10223	1.0
203.11765	1.3
203.15479	1.0
212.98363	0.6
219.14882	35.3
220.72369	0.5
223.10686	5.6
228.06259	0.9
229.13341	3.4
231.14818	1.2
233.12779	0.7
247.14362	100.0
248.14676	0.7
257.12857	4.0
265.15411	13.8
266.08038	0.7
269.06149	0.6
275.13840	5.9
293.14896	19.9
293.18036	1.0
306.58286	0.5
311.15939	59.7
312.16306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97024	0.7
53.03943	0.7
54.81806	0.7
55.01857	1.0
55.05502	0.6
57.36601	0.6
58.98815	0.6
67.05480	0.8
74.40382	0.7
79.05463	5.9
79.09247	0.7
81.07038	5.0
91.05453	6.3
93.07013	1.3
94.04146	6.4
95.04961	1.4
103.05437	3.3
105.07008	12.9
106.86565	0.7
107.04976	1.3
109.06482	4.2
115.05447	1.6
116.06228	1.7
116.90185	0.7
118.01207	0.7
118.04147	1.2
121.06479	1.5
122.03631	16.0
122.40958	0.7
123.04430	1.0
124.07571	5.1
128.06165	1.5
128.20512	0.7
129.06987	5.3
130.43254	0.7
131.04922	1.0
133.06477	6.8
135.04416	0.8
137.05959	100.0
138.09106	1.2
144.05711	3.6
145.06523	1.2
149.05954	2.9
151.07498	1.1
154.15503	0.7
155.04884	7.5
155.05983	1.0
156.05692	0.8
159.08022	7.2
161.05940	8.5
165.06961	6.9
167.06940	0.9
168.23299	0.8
172.05168	3.3
175.07565	1.7
179.08583	1.7
180.09315	3.2
181.06540	0.9
187.07530	15.0
189.06955	13.1
190.07738	48.9
191.08525	77.8
193.06531	0.9
194.07140	1.1
201.07022	1.2
202.07813	4.0
205.06439	1.8
207.08022	9.3
208.08763	10.7
217.06393	0.9
218.07246	25.7
219.08022	85.0
220.08804	9.0
221.05971	1.3
223.11154	0.9
229.07622	1.6
233.09525	3.2
234.06755	0.9
235.07510	10.5
235.73296	0.8
236.08304	17.7
241.13333	1.2
241.70070	0.8
246.06708	1.7
247.07475	22.7
248.08244	1.3
249.05389	0.8
251.10625	95.1
253.08493	5.6
261.09125	1.4
263.07010	1.0
264.07724	7.5
265.08374	3.2
279.10104	47.1
280.10846	3.6
281.08029	4.9
296.10388	5.1
296.13806	1.0
311.12686	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	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37566	1.2
55.01861	1.1
55.60024	0.9
56.60080	0.8
58.77064	0.9
59.91632	1.0
63.70675	0.9
65.03901	0.9
67.05447	0.8
69.03399	0.9
77.48569	0.9
79.05460	6.3
81.07013	2.3
85.02913	1.1
91.05470	5.2
93.76680	0.9
94.04160	4.1
95.04948	2.0
103.05414	1.3
105.06994	9.0
107.04933	1.9
109.06493	4.2
115.05470	1.2
122.03635	13.7
128.06175	1.3
129.06992	4.9
131.04858	1.5
133.06429	5.6
137.05960	100.0
144.05655	2.2
149.05952	2.2
155.04898	7.3
159.08006	5.4
161.05943	7.0
163.91594	1.0
165.06996	2.4
172.05159	1.7
175.07483	1.2
178.03209	10.5
179.08470	1.3
180.45125	1.3
187.07506	18.1
189.06960	6.8
190.03145	4.7
190.07742	33.7
191.08528	54.3
205.06459	2.3
207.08025	7.1
208.04279	13.2
208.08783	9.7
218.07234	15.3
219.08018	65.8
220.08728	6.5
221.06100	2.3
229.07605	2.0
235.07465	9.5
236.08263	13.9
239.10085	1.1
246.06645	1.5
247.07509	21.8
248.08199	1.8
249.05330	1.4
249.09042	1.3
251.10628	64.9
253.08501	4.3
261.09039	2.0
264.07797	4.6
265.08508	2.1
279.10101	33.4
280.10953	2.0
281.08005	7.0
296.10419	8.1
302.57306	1.2
311.07001	3.3
311.12708	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	311.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11690	0.5
55.01864	15.5
57.03425	1.6
60.04456	0.5
60.73473	0.5
61.02879	0.6
62.80450	0.5
67.05495	5.7
69.03404	5.8
71.04984	1.0
72.08147	0.7
73.65988	0.6
79.05475	1.1
81.03399	3.7
81.07024	0.6
83.04973	1.1
84.08139	1.1
85.02901	5.6
87.99405	0.6
91.05465	1.1
95.01291	1.3
95.04973	5.9
95.08578	1.2
96.08081	1.0
97.02869	26.3
103.05503	0.9
104.19183	0.6
109.02841	1.1
110.80601	0.6
111.04429	4.9
114.03195	0.6
119.04924	8.0
123.04405	24.5
124.05255	0.8
124.07589	7.8
125.05984	0.7
131.04906	3.5
131.05942	0.8
133.02821	1.4
137.05980	3.5
139.03886	17.1
141.05479	3.1
141.06982	1.2
147.04387	14.2
151.03891	100.0
151.04999	9.2
158.48462	0.6
159.05571	2.2
167.06989	8.3
169.06433	4.4
177.06589	15.3
177.10208	2.5
179.06998	19.4
187.07516	0.7
191.06979	2.8
197.06001	4.7
203.06912	1.0
207.06438	1.3
219.14868	9.9
222.78259	0.7
223.10817	0.7
225.05527	1.1
229.08539	5.9
245.08139	0.8
247.09918	0.8
247.14348	24.4
247.16719	1.0
257.08069	1.3
257.12793	0.8
263.09116	13.1
265.15381	2.7
275.09097	14.5
275.13681	1.5
293.11172	2.7
293.14954	3.2
311.11810	2.9
311.15982	15.2
333.46716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62847	1.1
53.54660	1.3
55.01859	1.3
66.13656	1.1
69.03059	1.2
69.03413	1.5
79.05469	3.2
81.03388	1.8
81.07044	2.5
85.02863	2.0
91.05457	6.9
94.04158	7.0
95.04971	1.6
95.08613	2.0
98.97570	2.2
105.07006	10.7
107.04937	5.9
107.08605	1.6
109.06487	6.0
115.05429	2.5
121.10114	2.0
122.03614	11.3
128.06227	2.3
129.06990	7.7
131.04889	2.6
131.08507	1.4
133.06470	8.2
136.99165	1.4
137.05957	100.0
144.05637	5.8
147.04419	1.9
147.48375	1.3
149.05984	5.9
151.07564	1.5
155.04912	6.6
157.06506	1.6
159.08061	10.1
161.05922	10.0
165.06961	6.0
169.06552	1.6
172.05194	2.4
175.07503	6.1
179.08559	1.7
187.07506	15.7
189.06960	12.5
190.07729	38.9
191.08524	75.4
202.07721	2.4
203.08492	2.1
207.07976	10.6
208.08855	7.2
217.06326	1.8
218.07208	24.4
219.05844	2.8
219.08014	81.9
220.08798	8.8
221.05919	2.3
225.09135	2.0
229.07716	1.6
233.09560	2.1
235.07506	9.3
236.08235	16.1
246.06841	1.7
247.07463	25.1
248.08279	3.2
250.09752	2.4
251.10600	72.9
253.08630	8.6
261.09027	2.9
263.06992	5.9
264.07809	11.1
265.08615	2.0
267.10117	2.1
268.10873	1.4
279.10101	46.5
280.10724	2.1
281.08023	11.7
296.10413	11.8
311.12695	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	Labdenediol
Peak:m/z	Relative Intensity
53.03932	1.2
55.01858	1.3
55.05507	27.7
57.03423	4.6
57.07066	16.5
61.61694	1.0
65.03927	1.4
67.05145	2.3
67.05492	45.9
69.03399	1.3
69.07053	41.1
71.04966	5.8
71.08614	6.9
75.06317	1.1
79.05477	35.5
81.03397	1.8
81.07040	100.0
83.04961	2.8
83.08604	21.7
85.06516	2.7
91.05457	19.1
93.07023	54.2
95.04951	7.2
95.08585	91.0
97.06499	5.3
97.09605	1.2
97.10130	9.8
105.07018	27.7
107.08577	31.5
109.06492	2.0
109.10145	41.9
111.08047	1.3
111.11702	4.5
114.84998	1.1
119.08576	19.8
121.10131	27.7
123.08056	4.4
123.11680	14.5
133.10106	18.5
135.11659	18.5
137.09616	7.2
137.13228	6.4
145.10100	1.2
147.11658	16.0
149.13211	17.7
151.11172	1.3
151.14806	5.0
161.13225	7.1
163.14809	5.4
170.59172	1.2
175.14815	2.6
175.40154	1.2
177.16380	4.9
189.16353	4.4
191.18036	1.8
217.19534	1.5
247.24168	2.3
273.25653	17.6
291.26746	11.0
309.20340	2.1
309.27774	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	310.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.96549	1.5
57.03436	0.9
61.02919	1.3
67.05489	9.0
69.03423	4.3
73.02908	1.4
73.92885	0.7
79.93241	0.6
85.02889	16.3
85.06541	1.0
91.03970	1.0
93.07028	1.5
95.04958	3.5
95.08586	100.0
97.02868	4.5
98.97592	1.6
105.58840	0.6
109.02901	0.9
113.05978	6.1
113.09634	15.2
116.98571	1.3
127.03892	3.5
131.07005	1.6
134.99625	1.2
137.06050	0.8
145.04964	3.5
147.04468	1.0
163.06027	0.9
174.99228	0.6
223.99815	1.2
229.03783	0.7
257.03262	2.9
275.14688	1.4
299.04559	1.5
310.14902	0.9
314.08630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.05511	0.9
55.07303	0.7
56.96539	1.1
57.03422	1.4
57.07064	0.7
61.02916	1.9
61.79436	0.6
65.53063	0.6
67.05196	0.9
67.05501	15.3
69.03410	4.6
71.04608	1.4
71.04976	27.0
77.47366	0.8
81.03410	1.1
85.02892	30.1
85.06531	4.0
93.07030	1.1
95.04957	10.7
95.08586	100.0
96.63486	0.7
97.02866	8.5
98.97559	1.7
100.34367	0.7
102.61182	0.8
107.08569	0.7
109.02885	1.6
113.05994	59.7
113.09621	19.3
116.98595	1.0
127.03901	4.7
131.07025	22.7
131.10643	0.7
145.04947	7.8
223.99942	1.0
237.04253	0.8
257.03217	1.2
283.46518	0.7
299.04468	1.0
310.14679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.00279	5.9
53.03931	8.1
55.01862	6.1
55.05502	34.2
57.03428	9.4
57.07058	7.9
57.64190	1.6
60.98959	1.5
63.20610	1.6
64.16490	1.3
65.03909	2.0
66.05582	1.7
67.05492	78.1
69.07049	28.0
71.04981	2.6
71.08615	78.9
79.05476	70.3
80.56788	1.6
80.94614	1.5
81.03412	14.4
81.07040	74.3
83.04971	25.4
83.08598	14.6
85.06527	2.9
91.05467	45.0
92.09336	1.8
93.07025	100.0
95.04948	20.1
95.08588	56.1
97.06526	16.0
97.10134	2.4
98.08223	1.6
99.08070	33.6
105.07019	30.6
107.04955	10.0
107.08598	42.4
109.06498	7.8
109.10130	17.9
117.06998	7.6
119.08549	23.6
121.06474	1.6
121.10118	24.8
123.08068	2.0
127.11243	2.5
129.07004	1.7
131.08549	6.9
133.10109	14.0
135.11658	33.1
137.09621	4.1
137.73341	1.9
141.09097	2.7
143.08521	2.1
145.10056	3.5
147.11658	6.3
149.13255	9.8
151.11159	25.9
152.53740	1.8
153.12712	7.6
161.13240	10.2
163.11157	11.0
167.10657	2.4
171.11682	2.5
177.12697	3.2
179.14276	88.5
185.13225	1.6
189.12709	2.8
204.16222	1.6
233.80098	1.7
242.26361	1.6
274.93213	1.8
277.21570	65.1
309.24112	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03948	2.6
53.24076	1.7
54.81460	1.8
55.01866	2.5
55.05503	40.3
57.03180	2.0
57.03429	31.4
57.07056	8.8
63.49841	1.5
65.03950	1.9
67.05144	3.5
67.05495	79.9
69.03403	2.3
69.07059	35.5
71.04977	1.9
79.05475	29.6
81.03385	2.9
81.07039	100.0
83.08600	16.3
91.05460	27.7
93.07028	26.0
95.04953	4.5
95.08578	63.2
97.06485	4.2
97.10160	7.4
99.08042	2.8
105.07005	14.3
107.08562	13.5
109.06519	3.3
109.10136	27.6
111.08054	3.9
119.08585	14.1
121.06448	2.0
121.10128	9.7
123.04400	2.7
123.08099	3.8
123.11674	8.6
133.10100	13.1
135.11696	3.9
137.13219	2.6
147.11667	8.9
161.13167	2.9
193.12231	15.4
215.21931	1.9
217.19440	8.0
235.20419	3.4
263.75308	2.0
291.19507	10.9
309.20734	4.7
309.24164	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.93360	0.9
53.03941	1.0
55.01871	10.0
55.05504	10.8
57.03429	70.5
65.03923	2.4
65.60263	1.1
67.05492	50.6
69.03423	1.9
69.07053	2.0
71.04978	5.5
76.56009	1.3
79.05463	20.7
81.03396	1.5
81.07038	20.0
85.06528	61.0
91.05457	19.7
92.08727	2.5
93.07023	19.4
95.04945	71.0
95.08598	8.8
97.06502	1.8
105.07002	12.0
107.04952	6.2
107.08570	14.3
109.06499	41.0
111.08089	1.8
113.05988	100.0
116.06390	1.1
117.07013	7.5
119.08566	7.4
120.80347	1.2
121.06543	2.6
121.10114	2.9
123.08058	2.3
128.06190	1.3
129.06993	2.0
131.08543	9.2
132.62968	1.2
133.10109	2.4
135.08040	36.9
135.11716	4.8
143.08554	2.7
145.10139	8.9
147.08086	2.7
149.09641	2.9
150.59302	1.1
157.10130	1.6
159.11649	2.4
161.09592	5.3
163.11208	1.7
164.30772	1.2
171.11531	1.3
199.14746	1.7
201.12718	1.3
217.15823	6.2
227.59962	1.4
273.18417	15.3
291.19498	36.0
297.31424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.46597	1.9
53.03923	14.2
55.01855	11.0
55.05508	20.3
56.96547	4.0
57.03426	3.3
65.03881	2.3
67.05495	37.7
69.03419	3.1
69.07056	29.3
71.04965	5.4
72.40660	2.2
79.05476	57.2
81.03394	21.2
81.07038	100.0
83.04953	10.1
83.08612	5.0
85.06530	3.9
91.05468	28.8
93.07021	43.7
95.04935	15.3
95.08579	27.5
97.02859	2.5
97.06476	9.5
98.97539	3.3
105.07014	22.8
107.04935	41.7
107.08560	20.8
109.06500	22.0
109.10117	3.2
111.04418	3.4
111.08041	3.5
117.03347	4.5
117.06977	13.2
119.08536	13.3
121.06462	8.5
121.10079	9.7
123.08074	4.8
125.05959	2.3
129.06982	10.3
131.08527	10.9
133.06517	2.8
133.10071	8.6
135.08022	4.5
135.11676	10.3
143.08611	2.8
145.02800	11.5
145.06465	2.8
145.10124	10.7
147.07977	3.0
147.11647	3.8
149.09599	9.9
155.08594	3.7
159.11708	4.1
163.11162	5.4
166.41501	2.2
171.11571	2.8
173.09618	4.4
175.11160	3.2
177.05438	14.3
184.97682	2.4
263.19940	4.6
273.18481	12.6
284.33987	2.5
291.19498	19.4
309.17236	8.8
309.20486	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03932	2.8
55.01868	29.6
55.05507	35.6
57.03434	6.0
57.07084	2.3
67.05494	90.0
69.03423	1.9
69.07050	27.5
71.04967	15.0
77.41719	1.2
79.05476	47.2
81.03403	2.9
81.07040	92.5
83.01333	2.4
83.04966	14.3
83.08614	9.4
85.02927	1.3
85.06532	7.3
91.05464	62.7
92.86863	1.6
93.07026	45.2
95.04959	16.1
95.08588	29.9
97.06523	8.1
105.07017	77.1
107.04958	5.7
107.08580	64.7
109.06504	15.4
109.10146	100.0
111.04427	6.2
111.08086	6.4
113.06017	3.2
115.05403	1.9
117.06987	10.4
119.08557	18.9
121.06454	10.2
121.10136	8.5
123.08048	6.5
123.11662	11.2
125.06028	2.2
129.06987	3.1
131.08540	11.6
133.06502	5.5
133.10109	89.6
135.08049	3.5
135.11705	6.1
139.07553	1.3
143.08554	6.6
145.10115	6.8
147.08078	8.6
147.11716	5.3
149.09674	3.2
151.11166	43.2
159.11705	3.1
161.09583	8.7
161.13211	1.9
163.11122	1.9
169.12148	9.8
171.11632	1.7
173.09618	1.5
175.11166	2.1
215.12744	3.2
245.19006	7.6
255.17290	2.1
259.07114	1.8
263.20068	8.6
273.18451	20.4
291.19489	32.6
309.20514	9.9
323.82950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.26420	2.1
53.03940	5.9
55.01619	3.0
55.01867	37.6
55.05505	49.7
57.03445	7.9
65.02393	2.3
67.05144	4.0
67.05492	97.9
69.03411	4.0
69.07052	34.6
71.04987	19.3
78.29808	2.5
79.05475	75.8
80.11018	2.2
81.03401	4.7
81.07040	100.0
83.01308	4.8
83.04961	18.2
83.08595	13.1
85.06526	5.5
91.05464	71.4
91.79308	2.3
93.07026	65.8
95.04938	23.4
95.08580	34.0
97.06512	16.5
105.07017	89.6
107.04931	13.7
107.08582	61.9
109.06498	24.7
109.10146	88.6
111.04425	4.0
111.08056	12.1
114.36625	3.2
117.06957	11.6
119.08551	28.6
121.06474	16.7
121.10097	10.9
123.04393	3.0
123.07999	5.2
123.11658	4.9
127.07552	2.7
128.06181	2.8
129.06975	5.5
131.08543	22.4
133.06490	12.3
133.10112	90.0
133.17068	2.9
135.08018	4.1
135.11642	5.3
137.09637	3.1
139.07542	3.9
143.08485	4.7
145.06445	2.3
145.10107	13.1
147.08046	12.7
151.11160	34.3
157.10056	3.0
159.11681	3.5
161.09599	13.4
169.12210	14.4
177.12688	2.8
187.10976	2.9
189.12662	3.5
192.22484	2.6
245.18903	6.2
263.20004	10.8
273.18420	28.2
291.19461	47.8
309.20578	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03928	4.0
54.42211	0.6
54.76418	0.6
55.01867	10.5
55.05503	16.7
57.03422	3.9
65.03927	1.0
67.05145	1.4
67.05490	27.7
67.05853	1.4
69.03407	1.5
69.07053	8.1
71.04973	4.3
76.85238	0.6
79.05470	47.4
80.45351	0.6
81.03401	7.6
81.07036	100.0
83.04967	15.4
83.08593	7.0
85.02886	4.7
85.06541	1.3
91.05460	20.9
93.07021	23.9
95.04948	14.1
95.08575	12.0
97.02908	0.7
97.06506	3.8
97.10146	4.7
99.04437	1.3
99.08065	0.8
100.28280	0.7
103.05448	1.2
105.07018	13.2
107.04940	9.6
107.08591	10.2
109.06503	45.5
109.10146	4.6
109.43153	0.7
109.65368	0.7
110.25256	0.6
111.04427	17.1
111.08046	6.7
115.05469	0.9
116.06154	0.8
117.06989	12.0
119.08565	16.9
121.06449	7.6
121.10107	10.3
123.04430	0.9
123.08015	7.1
125.09631	3.7
128.06255	0.9
129.06990	4.3
130.07755	1.1
131.04901	0.7
131.08530	9.5
133.06480	3.9
133.10086	3.3
135.08049	4.7
135.11650	4.8
137.09552	2.5
142.07784	0.7
143.08543	5.0
145.06409	1.1
145.10112	13.0
147.07985	6.5
147.11714	1.0
149.09586	6.0
153.12711	5.5
155.08527	0.8
157.10106	1.0
159.11691	3.4
161.09567	3.6
163.11108	8.2
165.09177	1.1
171.11655	2.8
173.09624	3.3
175.11256	1.0
181.12265	5.0
189.11143	1.3
191.10638	4.6
223.13123	1.0
227.12695	3.1
227.17924	0.8
249.14777	1.4
255.17343	0.9
273.18396	11.7
278.79004	0.8
291.19482	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03928	1.3
55.01875	7.2
55.05506	34.9
67.05495	18.8
69.03423	4.7
69.07061	20.7
71.04974	1.2
79.05476	23.8
81.03403	5.3
81.07043	19.7
83.04977	4.6
83.08611	12.7
85.63186	0.9
87.34218	0.9
91.05465	17.9
93.07030	15.3
95.01286	1.3
95.04947	10.4
95.08582	10.6
97.02859	4.3
97.06489	1.0
97.10152	17.0
105.07024	13.1
107.04960	6.4
107.08583	12.7
109.02900	1.0
109.06509	1.0
109.10138	4.1
111.04421	0.8
111.08053	1.0
117.07012	6.1
119.04955	1.7
119.08552	11.6
121.06500	3.7
121.10143	5.2
123.08068	2.0
125.09576	7.1
128.06189	1.1
129.06970	3.5
130.07758	1.1
131.08575	7.1
133.06496	3.9
133.10063	2.9
135.08035	1.9
137.09628	1.7
143.08542	1.3
145.10133	4.5
147.08037	6.1
147.11635	1.5
149.09673	1.5
161.09538	1.2
165.09216	1.2
169.09947	1.0
175.11203	1.0
189.11250	1.8
223.13225	14.0
249.14876	1.2
273.18466	5.4
291.19492	100.0
309.20776	1.0
309.68701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.95740	2.2
53.03927	3.7
55.01870	31.2
55.05505	38.5
57.03423	5.9
57.07029	2.3
65.03945	2.4
67.05499	43.3
69.07049	14.0
71.04974	6.0
77.18572	2.1
79.05478	68.4
81.03391	5.6
81.07047	100.0
83.04961	45.7
83.08605	15.6
85.02885	11.7
91.05459	34.2
92.37371	2.7
93.07024	50.2
95.04934	22.3
95.08596	13.0
97.06519	3.8
97.10146	11.9
99.04454	4.6
105.07042	24.1
107.04948	9.9
107.08591	21.3
109.06519	23.2
109.10143	5.7
111.04431	60.9
111.08075	21.1
117.07011	21.3
119.08571	35.7
121.06510	13.9
121.10176	22.2
123.08044	10.1
125.09597	9.4
129.06995	10.6
131.08562	11.3
135.08052	3.3
135.11694	16.5
137.09634	4.0
145.06520	2.8
145.10088	25.0
147.08086	17.5
149.09596	5.0
153.12744	14.5
159.11746	4.7
163.11209	21.5
165.09140	3.0
173.09578	3.0
181.12207	17.8
191.10675	11.0
209.11728	3.8
245.46341	2.5
249.14735	5.3
273.18628	24.0
291.19489	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.41470	0.6
53.03956	6.0
55.01867	5.7
55.05509	11.1
57.03419	3.7
57.07059	1.0
65.03911	1.4
66.71320	0.7
67.05147	1.5
67.05489	30.6
68.81407	0.7
69.03400	1.6
69.07055	13.1
71.04968	2.0
74.49348	0.9
79.05003	1.0
79.05476	48.2
81.03405	11.3
81.07039	100.0
83.04960	6.7
83.08587	4.4
84.83482	0.7
85.06528	1.0
87.04431	1.6
91.05461	17.5
93.07024	31.2
95.04949	18.9
95.08592	16.5
95.28236	0.9
97.06507	8.1
105.07022	12.6
107.04943	3.6
107.08577	12.1
109.06503	32.6
109.10143	6.9
111.08084	1.9
117.06984	4.4
119.08573	10.2
121.06434	0.8
121.10128	9.9
123.08046	7.6
123.11707	1.1
129.07036	1.2
131.08505	4.2
133.06488	1.6
133.10117	8.6
135.11674	7.3
137.09589	3.3
145.10081	4.1
147.07997	1.3
147.11693	3.7
149.09534	1.0
149.13310	0.8
151.11162	1.8
157.10059	1.7
159.11662	1.6
161.09599	3.4
171.11617	1.4
177.75636	0.9
181.90450	0.7
185.13174	1.1
193.12196	1.7
207.13730	1.6
222.06670	0.9
233.09509	1.0
245.18971	1.6
261.08963	1.2
263.19998	28.4
268.07193	8.4
273.18399	1.2
281.08078	3.6
291.19601	3.1
308.18274	0.8
309.20547	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	3.2
53.71501	1.3
55.01862	17.0
55.05504	54.5
57.03413	6.6
57.66716	1.5
59.04997	1.5
61.34711	1.5
67.05493	48.6
69.03413	8.7
69.07048	31.1
71.04986	2.6
79.05053	2.6
79.05475	46.7
81.03397	9.5
81.06602	3.0
81.07044	55.3
83.04950	12.0
83.08607	24.4
91.05463	31.3
92.09227	2.2
93.07021	29.6
95.04938	21.3
95.08579	25.4
96.95930	1.7
97.02905	2.8
97.10146	26.2
105.07021	25.2
107.04935	7.0
107.08567	33.8
109.06479	6.4
109.10162	17.5
111.04411	3.9
111.08070	2.8
117.07011	10.7
119.04897	2.8
119.08569	19.3
121.06480	3.7
121.10091	8.2
122.40836	1.7
123.04372	2.7
123.08053	10.3
123.11710	2.1
125.09598	13.8
129.06961	6.4
131.08543	10.1
133.06482	3.5
133.10117	17.7
135.04405	1.7
135.08046	2.6
135.11635	1.7
137.09560	1.7
139.90410	1.6
143.08562	6.7
145.10100	8.3
147.08028	10.2
147.11618	3.1
149.09569	3.1
151.11143	6.9
155.08459	1.8
157.10098	2.0
159.11720	3.1
161.09549	3.1
163.11136	3.5
183.87466	1.7
189.11287	5.7
191.10680	1.8
193.12135	2.1
223.13306	16.6
227.17992	2.4
273.18350	14.5
291.19495	100.0
292.19565	2.5
309.20599	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01627	0.6
52.32106	0.6
53.03931	2.8
54.43948	0.6
54.69854	0.6
55.05501	3.5
57.03431	13.8
61.02905	1.3
66.28873	0.6
68.45431	0.6
68.95715	0.7
69.03417	100.0
71.04966	6.4
73.02889	1.0
81.03397	17.9
83.04969	9.2
84.08134	1.0
85.02892	34.0
87.04469	5.0
92.09237	0.9
99.04436	48.2
103.03926	30.3
109.02886	7.6
111.04420	3.8
127.03889	31.8
129.05457	25.8
145.04913	2.8
163.05975	0.9
165.07544	5.2
189.07535	1.5
273.09567	4.4
291.10522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09372	0.4
51.95290	0.4
54.81615	0.5
56.96542	2.3
57.03427	0.9
61.02900	0.4
69.03405	2.3
70.06554	0.8
71.04973	0.5
72.08130	0.6
73.21200	0.5
81.03382	1.0
81.07019	0.6
84.04468	0.4
84.08102	3.0
84.95994	0.7
85.02870	2.6
85.44346	0.4
86.09681	0.8
91.05466	5.9
97.02858	2.7
98.97563	4.6
103.05444	0.9
110.97578	0.6
111.04427	0.7
114.36823	0.6
115.05440	0.6
116.98639	3.4
117.06975	0.6
119.04929	12.3
124.39458	0.4
127.03880	0.6
128.98590	1.0
129.06992	0.8
131.04913	2.9
134.99605	0.9
137.05951	6.1
146.99644	0.7
147.04393	31.9
158.99718	0.5
160.05186	1.9
161.01180	0.6
164.09407	2.8
170.08371	1.8
172.09921	4.9
175.07458	5.2
177.00693	0.6
177.06583	0.6
185.10640	0.9
187.07483	0.8
188.09418	38.2
189.10156	2.0
198.07837	7.5
201.10251	0.7
201.13846	2.1
202.10974	0.9
203.11713	0.5
204.10158	2.9
211.02690	0.6
216.08890	1.9
217.13330	56.4
219.01768	1.0
221.09204	0.7
227.11742	5.5
228.06358	0.5
229.13208	0.7
230.10483	3.1
231.11215	1.1
237.02718	2.4
245.12804	100.0
246.13043	1.0
255.11278	2.4
263.13855	18.3
273.12274	5.1
273.15268	0.5
273.85266	0.5
280.07755	0.9
289.08380	0.6
291.13339	18.8
309.14389	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
55.05488	0.6
56.96542	0.3
57.03411	0.6
61.02893	1.7
63.11954	0.3
65.03905	0.6
69.03075	0.5
69.03413	8.1
70.03813	0.3
70.06526	0.6
71.04960	2.0
72.08125	1.5
75.04440	0.4
83.04933	0.3
84.04498	0.4
84.08126	2.9
85.02879	4.1
86.09677	0.4
91.05461	12.7
91.55505	0.3
93.07010	0.4
95.04908	0.3
97.02849	0.8
98.97569	1.3
107.04936	0.5
109.02865	0.5
109.15069	0.4
115.05418	0.7
116.10683	0.5
116.98592	0.8
119.04917	36.0
127.03874	2.0
127.12286	0.4
131.04909	0.6
137.05963	1.3
145.06541	0.4
147.04387	100.0
160.05180	2.4
161.01253	0.4
164.09489	0.5
165.05392	0.6
172.09921	0.8
175.07523	5.0
187.07492	0.8
188.09401	9.6
198.07861	1.9
201.13963	0.5
204.10158	1.9
213.09091	0.4
216.09070	0.4
217.13326	16.2
227.11823	0.7
235.72868	0.4
245.12788	21.3
263.13956	2.9
273.12338	0.6
273.15814	0.6
291.13419	3.7
309.09695	1.3
309.14371	14.0
309.17905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46632	0.2
53.03929	0.5
55.01869	0.5
55.05510	3.4
55.24019	0.2
57.03429	14.6
59.04977	1.7
61.02908	3.4
64.32964	0.3
69.03409	4.2
69.07069	0.6
71.01341	2.4
71.04978	37.1
73.02902	6.7
74.83980	0.2
75.04460	11.5
81.03412	1.1
83.04967	6.8
83.70722	0.3
85.02892	100.0
87.04449	2.3
97.02871	4.1
99.04422	2.4
101.05998	1.4
103.03925	0.6
106.95899	0.3
109.02887	1.2
111.04414	3.5
123.04382	0.4
127.03873	2.3
129.05458	15.5
145.04907	0.4
147.06506	8.9
159.02588	0.3
174.81566	0.3
238.92238	0.3
244.41975	0.2
309.11859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
53.68774	0.3
54.81680	0.4
55.01864	0.4
55.05508	4.0
57.03429	17.5
59.04982	0.8
61.02903	2.9
65.12309	0.3
67.05470	0.5
69.03417	3.4
70.40446	0.4
71.01331	2.6
71.04976	35.0
72.08133	0.5
73.02892	7.4
75.04464	12.5
76.17719	0.4
77.68150	0.4
78.43168	0.4
79.05478	0.5
81.03394	1.7
82.36881	0.4
83.04953	6.6
84.04498	0.4
85.02890	100.0
87.04462	2.8
91.05479	0.9
93.07067	0.7
95.04945	0.5
97.02868	4.6
98.97572	0.4
99.04436	1.7
100.85497	0.4
101.06007	1.0
103.03910	0.5
109.02879	0.8
111.04421	3.2
124.07586	1.7
127.03883	2.3
129.05458	15.3
145.04927	0.5
147.04439	0.5
147.06497	8.3
153.09117	0.7
177.05513	0.4
189.62262	0.5
216.47626	0.4
231.27928	0.4
236.82652	0.5
256.08957	0.5
309.17697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.31552	0.3
53.38236	0.3
55.01859	0.6
55.05498	4.0
57.03426	16.3
59.04980	2.0
61.02908	2.9
61.19389	0.4
69.03414	3.7
69.07029	0.5
70.06615	0.5
71.01328	2.2
71.04974	33.4
71.61481	0.5
72.08114	0.7
73.02895	6.3
73.06577	0.4
75.04458	14.1
81.03403	1.1
83.04971	5.6
84.91185	0.4
85.02889	100.0
87.04456	3.0
88.06146	0.4
91.05447	0.7
95.04954	0.5
97.02890	4.5
97.06519	0.5
98.70894	0.5
99.04410	2.0
101.06020	1.1
105.07011	0.9
109.02834	1.7
111.04439	3.0
112.11195	0.4
118.53661	0.4
119.04917	1.0
122.64102	0.5
127.03910	1.8
129.05449	16.1
132.31314	0.5
144.41602	0.5
147.04420	3.6
147.06511	10.6
153.05502	0.5
276.79175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1522
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
55.05498	0.7
57.07063	1.7
59.04747	0.2
59.04990	1.9
63.69576	0.1
64.33021	0.1
65.19105	0.1
67.05495	0.5
69.07054	0.3
70.04060	100.0
71.08585	0.1
79.05470	0.3
81.07049	0.2
83.08597	0.7
93.07040	0.1
95.08575	0.2
107.08567	0.1
115.05437	0.7
116.06205	1.0
125.01518	7.9
139.03065	0.9
151.01892	0.2
151.03069	3.4
165.04649	1.0
179.06219	0.1
225.86568	0.1
308.15182	22.6
309.15640	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	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
57.07054	0.7
58.02939	0.2
66.04707	0.2
69.07047	0.7
71.08600	0.7
74.23146	0.1
76.38295	0.1
76.82259	0.2
79.05465	0.4
81.07037	1.6
85.10175	0.2
91.05447	0.4
94.04166	2.4
95.04891	0.2
95.08585	0.3
107.04932	0.3
122.03624	8.3
137.05957	100.0
138.06276	0.2
165.42142	0.2
172.16910	1.2
184.16937	1.1
186.72865	0.2
224.30009	0.2
264.33960	0.2
289.28571	0.2
327.99747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81189	0.2
55.01856	0.5
55.05514	0.3
57.03422	0.6
61.02909	0.6
64.28553	0.3
64.48004	0.3
65.03914	0.4
69.03415	7.9
69.81976	0.3
70.06588	0.3
71.04956	0.8
72.08131	2.0
73.02881	0.4
73.49450	0.3
84.08140	3.1
85.02884	3.6
86.09659	0.3
91.05463	12.3
96.89768	0.3
97.02833	0.6
98.97554	0.4
99.04410	0.5
109.02908	0.4
115.05448	1.5
116.10706	0.5
119.04919	36.4
120.56752	0.4
122.05997	0.4
127.03907	2.1
129.07025	0.3
131.04922	0.5
137.05934	1.4
141.06897	0.5
143.04947	0.4
144.74081	0.4
147.04390	100.0
149.10020	0.4
157.06459	0.5
160.05136	3.1
161.05916	0.4
165.05420	0.6
172.09886	0.5
175.07503	5.1
177.05449	0.7
187.07465	1.4
188.09430	4.0
189.05550	0.6
198.07819	1.5
201.13831	0.5
204.10219	1.8
208.09624	0.4
211.72575	0.3
213.09103	0.6
217.13333	7.9
225.35991	0.4
245.12810	12.3
257.90799	0.4
261.11383	0.4
263.13858	2.0
273.12198	0.5
273.16052	0.8
285.97498	0.3
291.13397	2.9
291.16293	0.3
309.09769	1.3
309.14392	9.0
324.35358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93049	0.8
53.03930	4.7
55.01857	4.1
55.05505	10.6
57.03429	1.8
65.03894	0.8
67.05499	21.3
67.16224	0.8
69.07046	5.4
71.04984	1.9
75.32108	0.8
76.82854	1.0
79.05476	33.3
81.03391	5.9
81.07041	100.0
83.04975	2.2
83.08602	4.4
85.06526	1.2
91.05468	15.9
93.07028	14.1
95.04961	7.2
95.08578	9.2
97.06517	1.3
105.07018	16.0
107.04933	5.4
107.08578	9.1
109.05816	1.7
109.06512	34.9
109.10131	5.3
117.07014	2.0
119.08569	7.7
121.06471	1.9
121.10101	6.7
123.08027	3.8
123.11688	2.0
129.07019	1.5
131.08534	6.1
131.27701	1.0
133.06456	1.1
133.10149	8.5
135.08025	1.1
135.11659	0.9
145.10112	5.6
147.11697	7.4
149.09601	3.6
149.13258	2.0
159.11682	1.7
160.12456	0.9
161.13185	1.4
163.11119	1.8
165.12717	1.9
173.13321	1.1
175.11115	1.4
177.12758	1.2
193.12230	1.0
229.19481	1.7
261.02856	1.3
275.20010	22.6
307.22684	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	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03930	3.5
55.05502	22.2
57.03415	4.6
57.07058	5.2
58.38247	2.3
63.77104	2.6
67.05492	51.6
69.03447	2.4
69.07056	26.3
70.06570	2.6
71.04998	2.5
74.52151	2.4
76.55985	2.2
79.05478	30.0
81.03402	4.8
81.06602	4.4
81.07042	100.0
83.04968	3.5
83.08603	17.1
85.02904	6.0
86.98401	2.4
87.08762	2.4
91.05482	18.0
93.07021	63.5
95.04929	4.6
95.08583	86.4
97.06507	10.7
97.10146	5.3
99.04430	4.7
103.03915	5.9
105.07021	23.8
107.08578	39.9
109.06513	5.4
109.10136	46.3
111.08057	3.3
117.06968	3.5
119.08549	18.0
121.06451	10.3
121.10110	30.1
123.11726	17.9
125.09624	3.7
127.03911	5.5
130.27469	3.1
131.08553	10.3
133.10085	17.9
135.11699	21.8
137.09587	4.6
145.10152	3.6
147.11659	14.2
149.13248	18.1
159.11783	7.6
161.13239	5.5
163.14824	3.7
175.14732	2.5
189.16341	3.9
261.02985	5.3
271.24344	5.3
272.12646	3.0
289.25226	4.9
307.26193	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.96561	35.2
60.83461	0.5
62.33919	0.5
69.07050	0.6
71.95242	2.2
72.08150	1.0
72.96046	0.5
75.75762	0.5
76.02216	0.7
81.07051	0.6
84.04511	0.7
84.08127	0.7
85.60557	0.5
92.63772	0.7
93.07011	0.6
95.08594	0.8
123.01193	0.6
124.07465	0.6
124.92804	0.5
128.98619	1.0
137.02737	2.2
139.00650	2.3
141.02193	2.2
146.99640	1.1
151.00641	0.8
153.02155	2.1
155.03749	2.4
157.01740	6.4
158.04915	0.6
159.03275	2.5
161.01073	0.6
167.03781	2.3
169.01755	2.8
171.03300	5.5
173.04846	2.2
175.02736	1.3
178.39360	0.5
183.03287	1.3
185.04816	11.0
187.02754	1.1
189.04314	3.8
191.05823	0.8
193.05376	0.6
195.06926	0.9
196.80940	0.6
197.04803	2.3
199.06396	1.9
201.04297	1.0
203.05875	18.4
211.06380	5.1
213.08009	2.2
215.05927	1.4
217.07495	1.3
221.06865	2.2
221.08752	0.7
223.06395	3.3
225.08008	0.9
229.07494	3.2
231.06906	3.5
237.07953	4.0
239.09528	2.1
241.07397	3.2
241.11166	0.6
249.07903	6.7
255.09001	2.4
267.08990	60.1
285.10049	100.0
286.10242	0.8
290.10577	1.1
303.11118	4.5
308.11859	2.6
330.34158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.4
54.68196	6.1
55.01861	12.4
55.05502	35.9
55.64314	5.5
57.03419	6.7
57.09138	5.4
66.82391	5.7
67.05494	73.1
69.07048	49.5
75.51898	6.4
79.05481	64.3
79.12440	6.2
79.85172	7.5
81.03399	35.1
81.07030	100.0
83.04961	12.1
91.05455	50.2
93.07032	57.4
94.22705	7.4
95.01333	7.0
95.04947	14.7
95.08588	45.1
97.06503	16.0
97.10143	6.6
105.07008	71.4
106.57676	7.0
107.04931	37.6
107.08593	36.5
110.90100	6.6
117.07015	13.7
119.08543	28.7
125.09639	8.3
130.07782	7.3
131.08585	9.3
133.10112	39.5
135.11664	11.7
141.06953	6.3
147.11629	7.8
149.09595	16.3
159.11687	8.2
174.97543	6.7
220.18431	6.7
261.41953	7.8
275.19965	46.2
307.21902	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	2.7
53.03939	7.3
55.01861	8.6
55.05506	34.6
57.03428	4.0
57.07060	4.0
59.04976	3.1
65.03925	2.3
67.05494	70.8
69.03407	7.6
69.07050	24.6
71.04612	2.3
71.04976	40.7
79.05473	58.3
81.03391	11.8
81.07039	100.0
83.04983	3.1
83.08592	12.6
85.06524	3.6
91.05459	52.8
93.07031	47.6
95.04951	16.3
95.08583	41.3
97.06481	17.4
97.10139	2.5
99.04407	3.7
99.08080	8.6
105.07011	44.4
107.04948	15.7
107.08583	26.0
107.24277	1.7
108.26925	1.9
109.06506	34.3
109.10143	22.1
111.04430	73.5
111.08054	3.1
117.06992	15.3
119.08569	27.9
121.06457	13.5
121.10114	15.3
123.08042	15.3
123.11703	7.6
125.05956	8.9
125.09627	4.8
128.06194	3.0
129.06952	3.7
131.08530	13.2
133.10143	17.7
135.08047	8.2
135.11676	10.5
137.05988	3.8
137.09608	7.3
143.08522	3.0
145.10092	8.9
147.08015	3.0
147.11671	12.8
149.09561	6.8
149.13239	3.6
151.11281	2.1
153.09114	2.0
159.11694	9.1
161.09692	2.1
161.13197	2.5
163.11130	2.5
165.12712	7.1
171.11684	8.1
173.13097	3.1
212.35138	1.9
247.20518	2.0
261.02853	2.6
267.35565	2.5
271.80261	1.9
275.20026	29.7
290.84335	1.9
307.22617	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03907	1.1
55.01860	7.5
55.05272	1.5
55.05504	28.8
55.38890	0.9
57.03419	3.7
57.07047	6.2
58.14957	0.8
59.04979	1.3
65.03904	1.8
67.05489	59.5
69.03395	1.8
69.07050	40.8
71.04970	1.5
79.05473	37.5
81.03364	1.2
81.07035	65.3
83.04959	14.4
83.08571	9.9
85.06528	2.2
90.67153	1.0
91.05453	42.7
93.07021	57.1
95.04947	17.8
95.08006	2.1
95.08580	41.9
97.06505	7.7
97.10150	2.2
105.07006	52.9
107.04929	10.9
107.07873	1.3
107.08583	28.6
109.06506	20.7
109.07207	1.9
109.10135	20.0
111.08052	1.8
117.06982	13.8
118.04474	1.0
119.08562	30.5
121.06475	23.7
121.10123	15.9
123.08068	9.9
123.11685	4.7
129.06987	1.6
131.08546	27.4
133.06438	4.1
133.10109	28.0
135.08017	8.5
135.11649	10.2
137.09615	4.7
141.06943	1.7
143.08536	6.1
145.06438	1.9
145.10097	19.6
147.08022	5.5
147.11653	19.6
149.09589	6.9
149.13254	4.8
151.11177	9.7
155.08560	1.3
157.10098	6.1
159.08020	3.6
159.11658	12.9
161.09538	4.9
161.13239	2.1
163.11125	9.1
165.12741	1.7
169.10068	1.6
170.25226	1.1
171.11574	4.7
173.09598	1.1
173.13161	7.4
175.11140	1.5
177.12717	1.7
177.52756	1.1
183.11627	5.3
187.11160	1.6
187.14827	1.0
189.12738	1.2
191.14278	5.3
197.13350	1.2
201.12733	4.0
203.14305	1.4
207.13795	6.1
219.13763	5.6
229.19499	1.5
231.33998	1.1
233.15428	1.3
239.17952	4.0
247.20483	2.1
257.19003	14.1
275.19998	100.0
289.21509	4.2
307.22604	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1899
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03957	5.7
55.01852	7.6
55.05501	52.7
57.03435	94.7
59.69430	4.8
66.10458	4.8
67.05488	45.6
69.07052	24.7
71.04962	5.4
76.07265	5.1
79.05476	61.0
81.07043	75.8
83.04984	9.8
83.08614	20.5
85.06550	6.0
90.03716	4.5
91.05460	97.9
91.70367	4.6
93.07030	71.6
95.04952	24.0
95.08607	25.1
97.10130	8.5
103.05455	6.7
105.07011	100.0
107.04940	28.7
107.08582	33.4
109.06486	23.2
109.10161	10.2
117.06990	51.3
119.08569	43.7
121.06482	11.6
121.10134	7.1
124.16600	6.0
125.09559	6.3
128.06200	6.9
129.06984	25.1
131.08543	45.4
132.05644	4.8
133.06480	51.8
133.10123	30.1
135.04395	10.7
135.08063	66.4
141.06947	6.5
143.08574	21.6
145.06497	19.5
145.10123	30.2
147.08060	26.4
147.11719	9.6
155.08574	9.6
157.10144	5.2
159.08043	19.8
159.11685	7.6
161.09566	37.8
163.07504	20.8
169.10156	11.6
171.11679	5.9
173.09627	26.2
175.11127	7.6
187.14738	8.4
197.13275	7.3
215.14319	22.9
233.15411	8.5
261.03030	11.9
261.18597	8.3
271.16846	24.2
289.17905	96.3
291.96463	5.6
307.19025	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1899
Annotation	Capsiate
Peak:m/z	Relative Intensity
53.03943	10.4
55.01862	26.2
55.05508	44.2
55.05725	4.9
56.03825	4.7
57.03431	10.3
57.07060	4.5
61.59559	4.6
67.05489	51.2
69.07054	11.3
79.05483	59.6
81.03426	5.4
81.07046	75.5
83.04958	30.8
83.08609	9.6
86.10559	4.6
91.05470	56.5
93.07037	42.4
94.04115	6.4
95.04955	40.3
95.08589	23.1
97.02839	6.3
97.06531	5.3
97.10162	7.1
105.07017	42.3
107.04949	54.4
107.08571	24.7
109.02884	39.9
109.06512	29.2
109.10181	6.7
111.04414	7.3
115.05452	9.2
117.07013	24.3
119.08570	25.7
121.06489	8.2
123.04411	4.8
123.07974	5.5
128.06201	8.8
128.07095	5.5
129.06967	8.7
131.08589	6.4
133.06480	19.3
133.10103	10.0
135.08037	11.5
137.05977	40.6
137.09586	6.5
138.06284	19.9
147.08008	9.3
161.09535	18.4
163.07535	6.0
173.20935	5.1
189.09160	8.2
219.01877	5.9
261.03116	35.8
261.18515	21.1
271.16913	6.7
276.95789	5.4
289.17914	41.1
307.18790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.20113	2.0
53.03936	5.0
54.77043	2.3
55.01865	18.3
55.05503	45.2
56.47404	2.3
57.03429	100.0
59.04997	2.3
65.03914	2.5
67.05492	67.3
69.07057	17.5
71.52895	2.1
79.05478	47.9
79.26869	2.2
79.57998	3.1
80.14803	2.5
81.03395	2.7
81.07034	50.1
82.94251	2.3
83.04469	2.8
83.04963	80.4
83.08604	9.8
85.06493	2.7
91.05460	55.5
92.09299	2.8
93.07026	48.2
95.04925	16.5
95.08598	33.8
97.02888	2.6
97.06477	3.3
97.10141	2.4
99.04413	5.6
103.05450	5.0
105.07016	36.7
107.04935	67.8
107.08565	24.8
109.06512	29.8
109.10125	14.4
111.04436	34.4
115.05420	4.2
117.06986	18.9
119.08558	27.0
121.06502	17.1
121.10133	11.3
123.04388	3.6
123.08060	5.2
125.05974	5.4
128.06146	5.2
129.06973	12.2
131.08530	27.2
133.06445	11.4
133.10074	5.3
135.08064	19.7
135.11719	6.0
137.05959	21.7
137.09605	3.0
138.06299	13.5
141.06961	2.4
145.06480	10.0
145.10086	13.1
147.08014	11.9
147.11594	2.7
149.05960	14.6
149.09598	5.8
151.07555	5.4
155.08531	10.2
159.07999	13.2
159.11687	2.8
161.09561	5.3
163.07491	10.7
163.11061	3.8
171.11664	5.3
173.09586	4.3
177.09091	3.7
177.12729	14.6
179.71231	2.8
187.11253	3.1
205.15819	5.5
210.26038	2.3
211.14784	2.9
215.14282	5.5
215.17937	3.0
230.55397	2.3
233.15323	22.4
243.17329	11.5
253.16022	3.9
261.02979	14.4
261.18417	16.4
271.16776	16.5
289.17941	60.1
307.18817	4.5
307.22418	8.7
327.64328	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	307.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.6
55.05503	51.1
56.60449	3.2
57.03429	100.0
58.22732	3.6
67.05494	42.5
69.07050	26.2
70.40256	3.2
72.66253	3.8
73.06564	4.4
77.93125	3.6
79.05474	58.9
81.03403	6.0
81.07034	60.6
83.04958	16.1
83.08597	16.6
91.05461	83.1
92.08649	7.5
93.07026	72.1
95.04931	20.2
95.08584	25.4
97.06522	5.6
97.10150	16.4
100.61906	3.5
101.89613	3.5
105.07020	84.4
107.04954	25.4
107.08571	34.3
108.84310	3.8
109.06511	19.0
109.10143	17.8
115.05472	8.3
117.06989	35.8
119.08577	35.3
121.06492	8.1
123.08062	4.8
125.09589	6.1
128.06223	3.5
129.06975	24.0
131.08528	40.0
131.79666	3.7
132.05693	5.4
133.06508	23.2
133.10110	21.1
135.04482	4.5
135.08018	79.4
139.79237	3.7
141.06973	7.1
143.08540	16.5
145.06494	7.6
145.10127	19.6
147.08057	19.1
147.11668	8.1
149.09613	5.0
153.09105	4.2
155.08568	8.3
157.10132	9.2
159.08040	15.5
159.11726	5.4
160.30113	3.9
161.09531	36.8
163.07513	17.0
169.10100	19.2
171.11658	9.4
173.09615	23.9
173.13303	4.4
187.14833	7.0
191.10706	5.4
193.12146	5.1
201.44012	3.9
215.14308	9.6
243.17415	9.0
261.03241	13.6
261.18500	8.0
271.16843	22.5
289.17957	82.4
289.21249	6.3
307.19009	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10259	1.6
55.05492	3.0
57.03431	2.5
57.07065	9.0
58.19030	1.5
59.04984	2.4
62.60145	1.5
63.40845	1.6
67.05506	2.2
67.18687	1.5
69.03416	3.8
69.07051	3.6
70.06589	2.4
81.03393	2.3
81.07027	19.9
84.04490	2.8
85.02895	25.5
85.06528	100.0
97.02858	7.4
97.06490	3.2
97.16227	1.8
99.08056	2.3
103.03926	19.4
109.02903	2.6
109.06493	11.8
110.33279	1.7
110.80367	1.9
115.07540	8.1
116.98608	3.3
127.03898	2.3
127.07530	54.9
128.07047	7.3
130.05055	2.0
145.08585	47.5
170.08070	2.6
189.30849	1.8
314.23074	2.1
322.50723	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.4
54.81365	1.7
55.01869	1.8
55.05492	4.6
56.16082	1.5
56.82076	1.6
56.96551	8.4
57.03419	11.3
61.02911	4.2
67.05486	4.0
69.03418	44.4
71.04974	10.3
73.02903	4.6
79.05460	7.8
81.03403	33.6
81.07035	8.2
83.04962	2.3
84.04471	1.9
85.02891	100.0
87.04454	2.3
91.05478	3.7
93.07006	4.3
95.04920	2.9
95.08583	2.1
97.02866	31.6
98.97580	17.1
99.04435	74.6
102.90941	1.9
103.03926	86.8
105.07032	2.8
107.08569	7.3
109.02864	29.7
109.06518	2.7
109.10115	3.4
111.08078	2.4
116.98583	13.2
119.08537	2.7
122.06002	12.4
124.07555	3.8
127.03899	88.3
133.10103	3.5
134.99654	3.0
136.89507	1.9
137.05931	8.4
138.09074	1.9
140.07118	2.7
145.04922	24.0
147.11743	2.3
150.05545	2.7
157.01715	2.3
163.05870	5.6
175.02689	3.7
177.00731	2.9
187.05969	4.3
189.10150	1.9
198.50041	2.2
205.07022	2.8
219.01674	4.1
237.02779	3.0
285.06644	3.4
307.19861	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	307.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.1
53.03938	10.3
55.01856	3.5
55.05478	1.7
56.96541	1.3
57.03432	7.4
61.02902	5.5
67.05490	1.2
69.03416	35.6
69.07042	1.4
70.06587	0.8
70.95290	0.9
71.04973	11.8
72.08127	1.0
73.02903	7.1
80.23305	0.9
81.03397	34.8
81.07042	1.4
83.01311	1.0
85.02888	100.0
87.04447	1.6
91.05457	1.4
97.02876	25.5
98.97533	1.7
99.04431	81.8
103.03922	93.2
105.06996	1.3
107.08566	1.1
109.02859	28.4
110.70535	0.9
117.54406	0.9
123.11631	1.0
127.03890	94.8
133.10062	1.0
133.98701	1.0
138.09093	1.2
145.04941	21.4
161.09625	1.1
163.06024	6.4
187.05977	6.3
205.07053	4.2
219.01768	1.0
243.78279	0.9
271.07892	1.7
307.16208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0811
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.00292	0.4
55.01867	1.5
57.03410	0.4
61.54909	0.4
65.03914	0.9
66.09022	0.3
67.05486	2.0
68.99763	1.8
69.03405	0.8
70.06559	0.8
72.08129	0.7
79.05465	0.8
81.03389	0.4
82.38760	0.4
83.01319	0.5
83.04969	0.5
84.04431	0.4
84.08102	0.9
84.51709	0.3
85.02885	2.0
86.09704	0.5
87.63780	0.4
93.03391	0.9
95.04942	2.8
97.02856	0.7
99.04445	0.5
103.03870	0.6
105.25126	0.4
106.55553	0.5
107.04945	2.4
107.42283	0.3
108.04447	0.6
109.10133	3.3
111.00813	0.5
111.04427	2.5
116.98648	0.4
121.02859	1.6
121.06491	0.4
122.05952	0.5
123.04389	1.5
127.03866	1.4
130.06509	5.4
131.04906	2.8
132.04440	1.6
133.02818	2.9
135.04379	5.1
137.05971	0.9
139.03877	100.0
140.07076	0.8
145.02856	0.6
147.04366	0.8
149.05927	0.6
151.03912	2.0
153.01811	1.4
153.05463	1.9
157.07599	4.2
158.05972	5.8
158.27759	0.5
159.04370	5.0
163.03842	11.6
167.06998	0.9
169.04912	1.9
174.09171	0.4
175.08617	2.1
177.05403	4.5
181.04965	3.1
195.06479	4.0
199.12239	0.4
205.04947	0.5
210.74033	0.4
221.85013	0.4
223.06096	1.6
236.29741	0.4
261.02939	0.5
261.08658	0.5
307.07843	0.5
307.12656	0.7
307.15872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	17.7
55.01860	8.5
55.05498	1.3
57.03431	14.1
61.01126	1.1
61.02919	2.4
66.25407	0.9
66.93382	0.9
67.01846	1.0
67.87222	1.0
69.03065	1.8
69.03414	32.4
70.06562	4.4
71.01337	2.2
71.04978	14.2
72.08124	1.0
73.02898	5.3
75.07564	1.0
79.05480	1.1
81.03398	35.0
83.04974	4.4
84.04479	4.4
84.08136	8.0
85.02888	56.0
87.04462	1.4
94.35194	1.1
97.02868	67.1
99.04431	33.8
101.00834	1.7
101.02379	1.4
103.03918	8.9
109.02867	49.4
115.03850	4.4
116.07079	2.1
117.05503	1.1
119.01881	5.5
122.07149	1.4
123.04372	1.3
127.03891	100.0
132.08443	1.4
133.03468	1.1
135.53610	1.0
138.05481	4.0
138.46254	1.2
139.03899	1.5
141.05461	1.1
143.27516	1.0
144.06688	1.1
144.74547	1.1
145.04965	14.6
151.03908	1.3
151.43982	1.4
163.05991	1.7
164.21938	1.1
167.36784	1.1
169.04961	1.6
224.39430	1.2
241.07101	1.8
247.02821	1.1
307.12936	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	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05862	0.4
69.07045	0.7
79.05473	0.8
81.07049	0.5
85.07558	0.5
94.04153	2.7
107.08612	0.4
109.10149	0.7
114.70664	0.4
122.03634	8.6
131.17499	0.5
135.11739	0.6
137.05962	100.0
170.15468	0.8
182.15366	0.9
244.95859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.05029	7.6
57.07069	10.4
58.06351	0.6
58.06595	10.6
60.04502	3.4
65.95729	0.5
67.99746	0.4
68.04989	0.6
70.06579	0.9
71.08604	2.7
72.08134	3.3
74.06056	6.4
85.10153	0.9
86.06062	6.4
88.07612	64.3
95.65211	0.5
97.20855	0.5
100.07569	1.7
102.09228	0.6
104.07083	6.3
112.86497	0.5
118.08596	0.8
132.10172	18.5
157.97060	0.6
162.11229	4.7
166.10730	4.3
182.19052	0.8
188.19473	0.6
198.22194	0.7
214.21626	56.9
226.21686	2.0
258.24219	18.3
288.25314	2.5
295.94217	0.5
306.26337	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	305.1593
Annotation	Creoside I
Peak:m/z	Relative Intensity
52.50967	1.6
53.03926	2.5
53.77750	1.6
55.01882	2.5
55.05510	15.3
55.41507	1.8
56.30101	2.1
57.03425	8.1
57.07069	9.2
61.02634	1.7
61.02919	11.5
63.04214	1.9
67.05497	4.2
69.03416	28.9
69.07066	8.2
71.04603	3.9
71.04978	68.4
72.93767	2.7
73.06543	9.4
79.05469	8.9
81.03406	14.6
81.07044	8.3
83.04963	12.3
83.08615	16.6
84.57219	1.8
85.02892	55.2
85.06528	31.9
90.94817	3.2
91.05476	3.5
92.09347	2.3
93.07040	2.9
95.04958	4.0
95.78362	2.1
97.02871	14.9
97.10170	18.4
99.04431	2.5
100.08730	2.2
105.06992	3.5
107.08588	85.2
109.02859	3.9
109.06518	2.5
114.34373	2.2
125.08743	4.2
125.09617	91.4
127.03883	2.7
143.09532	3.6
143.10666	100.0
145.04919	2.9
150.96887	2.4
167.10631	4.6
190.95386	3.8
196.00027	2.5
221.46545	2.1
262.11301	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	305.2084
Annotation	6beta-hydroxytestosterone
Peak:m/z	Relative Intensity
55.36224	0.9
61.57095	1.0
67.05477	1.2
70.52954	1.0
81.07034	1.9
83.73927	0.9
91.05468	2.2
97.24186	1.1
110.22328	1.0
181.22179	1.1
305.20828	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	305.9667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45988	1.6
53.03931	2.0
55.01861	4.3
55.05496	2.3
55.22811	1.5
55.93521	59.4
56.05028	2.3
56.96548	3.5
57.03421	2.3
57.07034	2.0
58.06581	3.8
60.04488	3.5
69.03407	9.8
69.95071	4.0
70.02905	1.4
70.06578	14.6
70.95844	2.4
71.04980	1.7
71.92989	41.6
72.08138	100.0
72.93768	91.3
73.94550	10.4
76.56139	1.7
80.98337	1.8
81.03400	3.1
83.04974	2.3
84.04490	12.7
84.08127	10.4
85.02884	23.1
86.09682	26.4
87.96095	3.4
88.03992	2.8
89.94019	43.8
90.94802	81.1
91.05464	7.1
97.02877	19.0
98.06046	4.0
98.97572	7.9
99.04413	2.6
105.07061	1.7
105.93501	11.7
105.97147	3.0
107.04975	4.0
107.95055	23.7
108.95834	22.3
109.02920	2.8
110.07194	2.1
111.96118	2.5
113.96376	2.2
116.96397	1.9
116.98621	2.1
119.04916	10.1
121.06448	3.4
123.94525	13.0
124.95310	2.3
125.02332	39.5
125.96093	36.5
126.02666	7.4
126.05486	26.3
127.03886	6.3
129.97099	7.7
131.95044	8.9
132.95799	29.7
133.02847	7.0
133.96553	2.7
134.05988	3.2
135.94524	2.7
136.95311	3.9
137.05963	34.9
143.03391	13.9
143.08191	2.4
144.03705	2.9
144.06509	19.2
145.02821	2.4
145.96600	11.1
147.04385	23.2
147.98148	2.7
149.96086	69.7
149.97130	4.3
150.96861	85.7
151.97647	8.1
153.97049	8.0
155.11769	2.4
157.06490	2.5
161.96075	14.4
163.97675	19.3
165.95517	3.7
165.99217	22.1
167.97127	60.0
168.97969	6.9
171.98160	26.3
173.12827	12.5
173.96046	9.2
174.03824	19.0
175.07497	13.1
177.05482	9.5
179.07011	11.1
179.97147	10.4
183.96669	2.3
187.93991	1.9
189.95680	6.6
189.99240	15.0
190.08623	17.3
191.97128	57.5
205.95071	10.9
208.00284	8.4
209.98209	20.7
215.97162	8.5
219.96661	16.7
233.98146	30.3
234.11237	4.2
237.94046	3.5
245.94438	2.8
259.96078	12.4
261.15915	4.2
261.97842	2.3
286.25748	2.1
289.15497	7.3
305.11996	94.6
306.08179	2.8
306.08701	3.1
306.12375	30.2
306.18042	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	305.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81055	2.2
56.96557	85.9
63.31108	1.8
69.07050	3.0
70.06567	2.0
71.95252	2.0
72.08166	3.4
81.06998	1.8
83.54842	1.7
84.96021	14.6
92.09402	1.8
98.97569	100.0
103.20303	1.8
110.97559	42.6
112.99113	40.1
116.98600	60.7
116.99346	3.1
119.04876	2.0
124.99084	14.7
127.00678	3.3
128.98587	73.1
131.00150	87.8
134.99620	22.5
143.00153	65.8
145.01756	9.0
146.99644	63.2
147.04382	3.0
149.01204	83.0
153.00681	2.0
158.99632	3.2
161.01186	88.8
162.99222	3.3
163.02766	3.7
165.00668	13.5
167.02258	11.7
169.01680	2.2
173.01141	4.1
177.00668	7.3
179.02303	13.6
183.76537	2.3
185.01138	24.5
187.02721	14.8
189.00700	7.3
191.02263	3.3
201.00833	2.4
203.02248	68.4
205.03792	2.6
221.03249	35.8
227.02287	3.0
243.14865	2.0
245.03369	15.0
245.12691	2.2
259.14249	2.1
263.04376	4.5
287.13742	7.1
305.14847	8.2
305.18332	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	305.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.98178	0.6
55.01859	1.4
55.93532	9.2
56.96561	9.2
57.03431	1.6
61.02906	3.0
69.03406	4.0
69.07064	1.1
70.06572	4.5
71.68181	0.7
71.93005	6.7
72.08143	15.6
72.93777	15.1
73.02889	1.1
73.94559	0.8
81.03426	1.2
81.04508	0.9
84.04491	1.6
84.08131	1.7
85.02894	13.4
86.06082	0.9
86.09698	1.5
89.40223	0.7
89.94022	6.1
90.94815	13.7
91.05483	1.0
95.04909	0.9
97.02873	15.9
98.97559	4.8
98.98420	1.0
105.93507	1.6
107.04932	3.8
107.95063	4.0
108.95832	3.6
109.02901	1.4
110.07111	1.2
114.05537	3.1
116.07068	0.9
116.98621	4.7
119.11766	0.7
121.06422	0.9
123.94539	1.4
125.02338	40.8
125.03262	1.5
125.96091	5.3
127.03926	1.7
127.99691	0.9
129.97064	1.6
131.00099	0.7
131.94983	1.6
132.95821	4.5
133.96521	0.7
134.99605	1.5
135.09169	0.7
143.03392	17.8
143.04433	1.5
143.08186	0.9
145.02856	3.7
145.04926	1.1
146.99667	1.7
147.04440	0.9
149.96112	10.5
150.96880	13.8
151.97627	1.0
153.97133	1.4
161.96074	1.9
163.08627	1.2
163.97675	3.3
165.99191	1.8
167.97148	9.5
171.98183	5.4
173.96223	1.2
177.00737	0.9
177.05435	4.4
179.97104	1.3
186.98973	0.9
190.98676	1.7
191.97151	8.5
205.95105	1.7
209.98267	1.7
215.97095	1.8
216.34555	0.9
219.96619	3.9
233.09160	0.8
233.98117	6.2
234.11298	5.8
259.96164	1.5
275.14697	0.8
305.12027	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	305.134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49822	0.2
55.01851	0.5
57.03410	1.4
60.88513	0.3
61.02908	2.7
69.03131	0.3
69.03418	5.2
71.04948	0.3
72.08169	0.4
73.02885	0.7
81.03451	2.3
81.04522	36.6
82.05305	0.4
83.06078	1.2
85.02886	11.2
87.04440	0.7
90.94097	0.3
95.06068	25.4
97.02863	4.0
99.04424	0.4
107.06053	0.5
109.02872	1.3
120.81513	0.3
125.07089	43.3
127.03846	0.6
132.28156	0.3
143.08134	100.0
145.04945	0.6
147.67812	0.4
162.52077	0.3
186.41396	0.4
262.45993	0.3
305.13388	12.8
305.16672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27192	0.6
55.05493	1.5
57.06817	0.9
57.07067	16.5
58.06571	1.1
60.96652	0.8
66.80044	0.7
67.05482	4.7
68.46360	0.7
69.07045	1.8
70.06582	25.5
71.08603	3.9
79.05465	1.3
81.07048	6.1
82.29604	0.7
85.10181	1.0
87.04445	5.4
88.07609	36.7
91.05449	1.5
93.07027	1.7
94.04131	0.7
95.08552	4.6
97.06481	1.1
102.09161	20.5
105.06985	1.9
107.08554	1.1
113.05964	1.3
119.08589	0.9
123.11691	0.9
133.10081	1.1
137.05959	5.3
138.06241	5.6
143.08377	0.9
146.11815	0.9
152.60933	0.9
178.26508	0.9
179.92641	0.8
198.22115	1.2
220.06026	0.7
242.24733	67.2
251.19955	1.7
267.86823	0.9
286.27335	6.4
304.28391	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	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.6
55.05500	1.1
56.04768	0.7
56.05028	19.4
56.05301	0.8
57.07066	16.1
57.50107	0.4
58.06347	0.5
58.06593	9.1
60.04511	4.2
67.05505	0.7
68.05020	0.8
69.07051	2.1
71.08614	6.0
72.14806	0.5
74.06060	16.7
78.14982	0.5
81.07043	0.6
85.10160	3.2
86.06021	2.4
88.07609	71.3
90.48055	0.5
91.05457	5.9
93.07014	0.6
95.08559	0.7
97.06503	0.7
104.07067	0.7
104.99256	1.1
110.03638	0.5
111.04388	0.6
113.05930	0.7
118.08615	11.1
122.08112	8.5
125.05994	0.7
137.04721	1.0
137.05956	0.9
143.01805	0.6
152.07037	11.7
195.11034	0.5
256.26282	55.8
268.26355	0.7
285.29462	0.6
286.27411	3.0
304.19473	3.2
304.28394	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	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05499	0.5
56.05030	0.4
56.96557	0.4
57.03425	0.2
67.05480	0.5
69.03417	1.1
69.07047	0.4
70.06573	1.0
71.05011	0.3
72.08136	0.5
78.87353	0.2
79.05483	2.5
81.03394	0.5
81.05775	1.6
81.07037	3.5
82.06573	0.3
84.04500	0.3
85.02888	2.8
86.09692	1.9
92.08701	0.5
94.06538	0.5
95.04941	1.1
96.04457	0.4
96.08107	12.3
97.02894	0.5
98.06002	0.3
98.97569	1.3
103.72070	0.3
106.06516	1.0
107.04943	0.6
108.42617	0.3
109.02908	0.3
111.11663	0.4
113.06004	0.4
114.05559	0.3
116.98610	1.1
124.07566	100.0
129.03235	0.2
134.99640	1.0
135.46431	0.3
136.22121	0.3
137.05969	1.5
142.08615	64.8
145.04971	0.3
149.05887	0.3
150.96696	0.3
160.81879	0.3
185.09351	0.3
187.14326	0.4
190.95369	0.3
289.09729	0.3
304.10785	1.2
304.17316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04128	0.8
53.03922	1.1
55.01852	1.7
55.05495	1.2
57.03431	7.2
58.02934	1.2
58.06561	1.0
60.04519	8.8
61.02906	6.4
69.03413	20.7
69.06674	2.1
69.07054	65.7
71.04973	1.4
71.08246	1.7
71.08615	41.0
73.02897	3.9
78.99067	0.9
81.03402	10.1
84.04478	5.1
85.02892	67.1
86.02393	10.3
95.49252	1.0
96.04447	1.1
96.08107	7.2
97.02869	48.7
97.06504	8.9
98.90916	1.0
99.04430	2.3
103.03906	4.4
109.02861	13.0
114.09150	35.0
124.07598	1.0
124.25177	1.1
127.03926	9.5
137.05952	9.4
138.06288	1.4
138.09134	5.5
142.08618	100.0
145.04910	4.0
156.10211	1.8
156.67824	1.0
166.08525	1.0
177.61510	1.0
178.79715	0.9
184.09656	57.2
206.35181	1.0
207.49503	0.9
208.09697	14.1
209.45927	1.0
220.09659	1.6
227.09271	1.7
227.67989	0.9
238.10799	1.1
245.84702	1.1
250.10692	5.6
255.08575	1.5
268.11835	1.3
286.12827	1.4
304.13843	1.9
315.08395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95986	1.1
55.05500	3.3
64.33289	1.1
67.05499	9.6
69.07049	5.8
73.75455	1.0
79.05486	8.5
81.03370	2.3
81.07054	10.1
83.08604	1.2
91.05467	7.6
93.07020	12.1
94.04170	2.6
95.04939	7.1
95.08557	14.1
97.06512	10.3
105.07006	9.2
107.04927	1.8
107.08573	11.9
109.06525	1.4
109.10144	5.6
117.06990	2.5
118.22853	1.7
119.08569	5.6
121.06468	1.4
121.10135	5.3
122.03613	13.6
123.11732	2.0
124.07544	1.7
126.53251	1.2
131.08514	2.3
133.10095	3.2
135.08005	11.7
137.05959	100.0
143.08553	2.9
145.10097	7.4
147.11682	5.2
148.07556	2.8
149.13144	1.8
159.11670	2.6
164.07065	18.2
185.13271	1.5
199.07529	1.7
249.05421	1.3
271.14597	1.5
285.22110	5.4
289.15356	6.0
303.15689	31.4
303.19272	97.5
303.23080	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	304.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42268	1.8
54.81733	1.9
55.05497	1.7
56.96559	60.7
57.07071	2.5
60.10635	1.8
67.05490	2.3
68.18695	2.3
69.07054	4.3
70.06564	9.0
71.04986	2.6
71.95261	3.3
76.42918	1.8
79.05476	5.2
81.07025	4.4
84.02403	2.2
84.26918	2.2
88.07604	10.9
93.07060	3.3
95.08569	4.4
97.06528	3.0
104.99284	2.0
105.07001	2.6
105.49701	2.0
107.08580	10.1
109.10165	3.1
113.06000	2.2
121.23765	1.9
123.01196	2.8
128.98621	3.0
135.08058	4.7
137.05952	28.7
138.06276	10.7
153.02251	5.3
155.03812	8.6
155.43739	2.1
157.01727	8.8
159.03258	2.3
169.01726	4.6
171.03276	21.9
175.02805	2.4
180.66113	2.0
180.96738	2.2
183.03297	4.9
185.04843	12.2
187.02687	3.6
189.04350	9.9
197.04845	5.4
199.06439	10.5
203.05916	14.3
207.07002	3.3
215.05949	4.2
217.07455	13.1
221.08606	3.0
225.08049	2.7
242.21112	3.0
242.24725	15.4
251.09579	4.4
253.11122	4.4
255.09239	2.2
263.09506	11.3
269.10629	3.6
281.10559	100.0
299.11618	89.8
304.12155	2.5
304.15884	5.0
304.28391	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	303.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42413	0.7
53.03931	2.0
53.92110	0.9
55.01862	4.4
55.05505	11.7
57.03415	1.0
57.07038	1.3
65.03926	1.9
67.05492	28.5
69.03447	1.5
69.07068	10.0
70.06576	0.8
71.04990	2.9
74.78078	0.8
79.05479	24.1
81.03404	3.2
81.07043	35.5
83.04967	6.2
83.08610	7.2
85.06531	1.5
91.05464	28.9
93.07026	27.3
94.04166	3.7
95.04948	13.4
95.08575	18.1
97.02892	1.4
97.06507	10.3
97.10185	1.1
99.08102	1.1
100.88535	0.8
103.05424	1.5
105.07015	18.6
107.04950	13.7
107.08562	13.5
109.06505	11.6
109.10158	7.9
111.04428	4.8
111.08056	2.0
113.05989	1.0
115.05426	1.3
117.07003	11.1
117.88236	0.8
119.04911	4.7
119.08582	10.8
121.06493	10.7
121.10134	6.4
122.03628	10.4
123.04421	16.8
123.08028	1.7
123.11684	1.0
128.06180	1.6
129.06970	12.4
131.04893	1.8
131.08553	9.3
133.06476	6.4
133.10155	9.8
135.08008	5.1
135.11642	3.4
137.05962	100.0
137.09573	2.0
139.07556	1.3
141.06989	1.4
143.08545	5.6
145.06487	4.6
145.10139	4.7
147.08055	5.6
147.11662	3.2
149.05975	1.7
149.09576	1.6
149.13257	3.7
151.07529	1.2
153.09019	1.0
155.08513	1.0
157.10120	4.1
159.08011	1.4
159.11652	9.1
161.09634	1.5
161.13281	1.7
169.10109	2.0
171.08113	1.4
171.11685	4.4
173.11708	3.7
173.13187	1.8
175.11119	1.4
177.12750	1.9
179.59947	1.0
181.06468	1.2
185.09691	1.4
185.13229	6.8
189.12827	1.3
191.14337	1.8
195.11908	1.9
195.13805	11.1
203.14256	10.4
213.12729	5.3
213.14877	7.3
219.13792	3.7
221.15376	4.0
231.13760	16.1
237.14818	1.3
249.14815	28.1
267.15875	16.1
285.16901	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.25265	0.1
53.03932	0.2
54.81516	0.1
55.01850	0.1
55.05497	0.1
56.90035	0.1
57.16255	0.1
65.03929	0.2
66.04703	0.2
79.05476	0.8
81.07027	0.5
91.05459	1.1
91.05976	0.1
92.09415	0.2
93.07056	0.1
94.04163	3.4
95.04938	0.3
97.06505	0.6
98.97548	0.1
107.04932	0.3
109.06513	0.2
119.04930	0.3
120.21996	0.1
121.06472	0.6
122.03627	11.7
124.59939	0.1
133.23045	0.1
135.04353	0.2
137.05957	100.0
138.06323	0.2
147.04395	0.5
149.05969	0.7
150.28854	0.1
150.46002	0.1
151.07500	0.1
152.06168	0.2
153.01865	0.3
153.06960	1.5
161.06082	0.1
163.07559	0.1
165.06985	0.1
170.07271	0.3
173.05936	0.1
175.76561	0.1
179.06972	0.1
181.06422	1.9
195.08075	0.2
198.06705	0.2
209.05844	0.2
210.06870	0.2
213.09134	0.9
225.09074	0.2
241.08405	0.4
253.08507	0.5
273.11066	0.5
285.11255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01868	5.4
55.05504	24.5
56.96561	0.5
57.03428	19.7
57.07057	0.7
63.25811	0.6
65.03930	1.0
65.41086	0.6
66.04716	0.6
67.05493	26.1
69.03415	5.0
69.07050	8.6
71.04975	3.6
79.05476	30.8
81.03402	69.1
81.07039	31.4
83.04472	0.6
83.04969	24.1
83.08607	20.5
85.02890	25.4
85.06522	2.9
91.05464	38.9
93.07023	19.0
94.04161	3.1
94.06568	0.8
95.04950	26.6
95.08581	14.1
97.02871	3.6
97.06506	9.6
97.10120	2.9
98.97597	0.7
99.08071	1.2
105.04498	0.7
105.07013	28.7
107.04926	8.5
107.08568	8.4
109.06512	6.2
109.10144	1.6
111.04445	1.3
111.08080	6.7
112.43173	0.6
113.05973	1.4
115.05431	1.1
116.06265	0.8
117.07008	0.9
119.04899	1.2
119.08578	19.2
121.06474	1.3
121.10135	8.2
122.03637	13.9
123.08025	2.7
123.11696	1.2
125.09603	1.2
128.38762	0.7
129.06975	11.5
131.08556	11.6
133.06467	2.5
133.10094	11.4
134.31898	0.7
135.04396	0.9
137.05959	100.0
137.09575	1.1
138.09137	0.8
142.07774	5.1
145.02800	0.6
145.10077	2.5
147.04434	3.0
147.08035	2.3
147.11662	11.9
149.09628	5.4
153.01765	3.8
153.26247	0.7
157.10112	10.6
163.07495	1.0
164.07050	2.8
165.12709	2.3
166.08566	2.1
168.00528	3.4
171.02888	0.9
175.11150	12.0
177.05391	1.0
178.04918	0.8
179.95862	0.6
181.06369	1.2
183.02849	9.2
186.01595	5.4
193.12216	34.8
211.13260	26.7
257.09259	1.1
267.15878	3.6
285.16910	38.9
303.08615	5.5
303.13257	2.5
303.23517	0.6
317.16284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1223
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
50.83932	0.3
51.02382	0.5
53.03920	0.5
55.01863	1.0
56.83869	0.3
57.03412	0.4
59.83650	0.5
65.03924	0.5
65.07565	0.4
66.67622	0.4
67.05488	2.1
69.07052	0.4
79.05473	4.6
81.07025	1.0
85.26344	0.4
91.05492	3.3
93.07011	0.8
94.04158	2.7
95.04943	5.5
95.08566	0.6
97.06512	2.0
103.05446	2.4
105.03383	0.5
105.07010	22.6
107.04942	1.0
109.06496	2.5
111.04438	0.8
119.04839	0.8
122.03625	10.6
123.04412	16.5
124.05181	1.0
133.06465	19.5
137.05957	100.0
138.06291	0.8
142.16098	0.5
150.06885	0.5
151.03882	46.6
151.07492	2.1
153.07033	0.6
161.06006	0.5
165.05484	0.5
165.09074	23.7
172.84332	0.4
179.07007	4.1
181.06432	1.8
257.12393	0.6
303.12274	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66644	0.6
56.96539	0.9
61.02930	0.7
63.06593	0.7
69.03407	1.0
69.49496	0.7
70.06555	0.8
72.08150	1.3
79.05484	0.7
81.03370	0.9
81.07034	0.8
84.08157	1.2
85.02895	1.7
86.09744	0.7
89.80976	0.7
96.08135	0.7
96.61174	0.9
97.02818	0.8
98.97536	0.9
116.98608	1.1
119.01882	1.8
122.03691	0.9
122.05965	0.8
124.07556	7.7
134.69662	0.8
137.05966	5.7
141.05295	6.9
142.08615	3.7
199.36519	0.7
201.06053	1.8
201.26732	1.0
203.05296	3.4
213.06049	0.9
243.07617	1.2
303.10464	100.0
321.10175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
54.81634	0.1
55.01839	0.1
56.96545	0.1
62.38274	0.1
65.03925	0.1
66.04695	0.2
67.05480	0.1
75.34963	0.1
79.05481	0.7
81.07031	0.6
91.05458	1.2
92.09328	0.1
94.04156	3.2
95.04936	0.4
97.06513	0.5
107.04920	0.7
109.06506	0.2
119.04881	0.4
121.06464	0.5
122.03619	11.8
124.45154	0.1
131.08481	0.1
134.03607	0.2
135.04346	0.4
137.05949	100.0
137.23082	0.1
138.06296	0.2
139.37167	0.1
147.04419	0.5
149.05954	0.4
151.07521	0.5
152.06180	0.2
153.01794	0.2
153.06926	1.6
163.07539	0.2
165.06982	0.2
165.29648	0.1
170.07254	0.2
179.07042	0.2
181.06441	2.2
182.07291	0.1
193.06494	0.1
197.05960	0.1
198.06737	0.2
199.07516	0.1
209.06133	0.2
210.06834	0.2
210.15128	0.1
213.09161	0.8
221.05878	0.2
225.08919	0.3
241.08582	0.5
253.08643	0.4
258.08926	0.2
273.11197	0.6
285.11270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12626	1.7
51.91072	1.6
53.00303	4.3
53.03938	2.2
55.01877	20.0
55.05506	71.9
56.96544	2.8
57.03436	30.5
57.07061	15.8
59.04990	3.3
66.43233	1.8
67.05494	88.4
69.03416	14.1
69.07055	56.1
71.04984	10.3
71.08616	78.5
73.06534	3.9
79.05477	89.5
79.05901	4.3
80.97320	1.9
81.03413	16.9
81.07041	82.8
83.04963	40.9
83.08598	28.4
85.02824	2.4
85.06544	9.8
91.05466	88.2
93.07027	100.0
94.83180	2.2
95.04942	31.0
95.08591	42.7
97.06509	22.3
97.10169	2.5
99.08076	57.9
100.11243	4.7
105.07020	62.8
107.04937	4.3
107.08586	47.1
109.06461	17.3
109.09505	2.4
109.10139	20.4
111.04377	2.7
111.08099	5.3
117.07016	15.9
117.47078	2.6
118.46686	2.0
119.08582	46.9
121.06477	2.7
121.10119	45.8
123.08021	3.6
123.11687	3.2
129.06984	4.8
131.08546	22.9
133.06442	2.8
133.10095	40.5
135.08032	23.2
135.11691	9.7
137.05975	15.4
137.09564	4.4
139.11166	24.5
139.12885	2.3
143.07013	3.5
145.10155	4.2
147.08015	3.8
147.11668	16.8
149.09589	19.3
151.11171	74.5
151.12328	3.1
157.10124	4.2
161.09653	12.8
161.13274	2.9
162.09941	5.0
165.09096	4.3
165.12697	13.8
167.10693	20.4
171.11612	3.0
175.11128	2.3
179.10796	2.2
203.17981	5.7
213.16335	5.5
221.19063	3.4
231.17442	19.8
249.18527	35.3
267.19504	15.2
302.21951	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	302.3052
Annotation	Sphinganine
Peak:m/z	Relative Intensity
56.77567	0.3
57.06787	0.4
57.07067	12.6
58.06578	0.4
59.20565	0.3
59.77205	0.4
60.04502	0.3
61.98835	0.3
62.06067	0.8
70.06207	0.7
70.06580	19.6
71.08622	4.6
85.10140	0.6
88.07618	22.8
102.09160	6.2
106.08646	12.1
118.48917	0.4
200.47842	0.5
248.23282	0.5
258.28009	0.7
280.64740	0.5
284.29462	8.5
302.30490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26434	0.2
76.51412	0.3
77.02300	0.3
77.70342	0.3
77.86042	0.3
101.00885	2.1
119.01894	10.6
120.02065	0.3
127.12822	0.3
134.99838	0.4
137.02927	3.3
150.14554	0.3
153.00912	0.3
158.99809	0.4
177.00916	23.2
178.00995	4.3
195.01746	0.3
201.00954	1.4
214.20166	0.3
217.04056	5.1
218.04140	0.6
219.01967	34.3
220.02090	7.6
221.01775	0.4
225.00948	1.8
238.95360	0.5
243.01881	5.6
244.02042	1.3
253.72203	0.3
256.96579	8.1
261.02997	100.0
262.03131	22.5
263.03043	0.4
274.97571	3.7
279.98334	2.3
284.04584	1.1
302.05649	0.6
303.00684	0.7
303.06256	2.4
321.91330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32113	2.7
55.01864	23.9
55.05510	78.9
56.96558	4.0
57.03432	38.7
57.07069	8.8
59.80480	2.9
67.05496	74.2
69.03413	14.4
69.07051	50.0
71.01334	3.8
71.04970	12.9
71.08618	14.0
73.03840	2.7
79.05480	100.0
79.98388	3.0
81.03391	20.3
81.07043	79.1
83.04968	25.1
83.08614	24.7
85.02841	3.5
85.06535	6.7
86.76165	3.5
91.05482	67.6
93.07025	81.7
95.04937	16.1
95.08576	56.7
97.06516	34.7
98.97564	3.9
99.08072	7.8
105.07018	47.5
107.04922	4.9
107.08589	67.7
109.06501	5.9
109.10139	23.0
116.98589	5.5
119.08563	29.1
120.83314	3.8
121.10120	58.7
123.08067	5.9
123.11700	5.9
125.09633	4.6
131.08554	30.1
133.10123	22.5
135.08038	7.0
135.11700	8.2
137.05965	45.5
137.09665	6.7
139.11166	28.6
145.10106	3.7
147.11684	20.5
147.23669	3.6
149.09599	24.1
151.11165	15.3
157.69154	4.4
165.08945	3.6
165.12717	4.3
167.10649	21.5
221.18881	6.6
230.87296	3.8
231.17389	16.4
249.18465	38.9
267.19467	30.0
302.17245	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.9
57.03428	1.8
61.02911	5.2
64.12599	0.9
65.03905	1.3
69.03410	8.1
70.06567	3.9
71.04966	1.4
72.08171	0.9
73.02923	1.0
73.49677	0.9
75.49128	0.8
81.03416	4.0
84.04506	1.7
84.08140	1.3
85.02889	15.8
86.09705	1.5
87.04448	1.5
91.05503	1.0
92.04980	25.6
94.06539	2.3
96.08073	1.1
97.02866	7.0
98.97572	3.8
99.04411	1.6
101.05957	1.0
109.02917	1.6
109.06561	1.0
110.06024	24.8
111.04427	1.1
116.98540	0.9
119.92175	0.9
122.06004	62.3
127.03876	1.4
134.06003	8.6
138.05527	4.5
140.03407	35.0
140.07043	100.0
145.04932	1.1
152.07047	18.9
164.07031	2.4
181.09715	0.9
194.25220	1.0
272.30865	1.0
273.08942	6.3
301.99756	1.0
302.11996	6.7
303.10416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44041	1.4
53.03938	2.4
53.64870	1.2
55.01863	22.5
55.05505	59.7
57.03423	6.7
57.07064	12.3
67.05489	45.8
69.03425	19.4
69.07056	41.4
71.01325	8.9
71.04972	8.8
71.08612	50.1
72.08125	1.7
79.05473	33.4
81.03400	40.8
81.07036	48.2
81.07478	2.9
83.04963	8.1
83.08602	55.6
85.02877	1.5
85.10173	14.7
91.05456	37.8
93.07019	53.8
95.04957	17.5
95.08585	62.7
97.02853	2.4
97.06503	18.2
97.17740	1.6
99.04416	2.9
99.08071	28.3
105.07001	20.9
107.04948	6.3
107.08565	13.5
109.06487	10.6
109.10135	25.0
111.08062	22.8
111.11730	1.5
113.05907	1.8
113.09637	17.6
116.59639	1.4
117.06979	2.0
119.08554	37.2
121.06461	3.1
121.10123	44.7
123.08068	5.2
123.11633	1.4
129.07005	2.1
131.08592	5.1
133.10106	24.4
135.08038	15.8
135.11668	3.0
137.05959	3.6
137.09587	37.9
139.11128	17.5
147.08017	2.8
147.11658	11.0
149.09631	8.3
151.11160	50.3
153.09055	1.9
153.12750	2.5
155.10646	41.9
157.10152	2.5
158.98302	1.4
161.09590	2.3
161.13248	1.5
165.09164	1.8
165.12714	34.0
167.10689	2.2
203.17940	6.6
213.16451	2.7
221.18985	19.6
231.17430	10.7
249.18437	100.0
267.19479	89.0
268.41653	1.4
289.22220	1.7
302.30276	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01869	2.0
57.03424	5.1
61.02916	4.5
64.46616	2.0
67.05492	14.0
69.03418	17.6
73.02912	3.6
79.05495	4.3
81.03398	13.6
81.07051	14.1
82.02927	2.6
85.02892	77.1
93.05811	2.1
94.06543	2.5
95.04939	4.6
97.02877	59.5
103.03934	8.5
108.08096	29.6
109.02892	13.6
110.06031	2.6
122.06020	9.7
125.05981	9.9
126.05501	11.9
126.09139	9.2
127.03907	9.7
135.82420	2.0
136.07573	35.7
140.07065	39.8
142.10933	2.6
145.04927	7.7
150.09166	9.3
152.07069	28.6
153.07898	2.5
154.08630	11.5
164.07010	36.5
178.08615	34.2
182.08099	100.0
206.08083	44.1
215.94243	2.3
218.08138	3.5
248.09212	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55490	0.9
53.03943	1.8
53.14793	0.8
57.03415	1.8
61.02909	4.3
67.05144	1.9
67.05497	51.4
69.03418	26.6
69.07060	11.2
71.04984	0.9
73.02927	1.2
75.45565	0.9
81.03403	6.0
84.08140	1.9
85.02898	40.9
94.06564	1.8
95.04953	77.2
97.02872	38.4
99.04434	1.5
103.03967	1.9
109.02863	8.4
112.07594	57.9
113.05957	8.2
122.05989	1.9
123.04383	1.9
124.07566	2.0
127.03909	5.3
136.07599	4.8
140.07053	100.0
145.04948	1.6
154.08629	8.6
164.07051	1.3
178.08601	5.3
182.08116	43.7
206.08087	11.4
218.08148	1.9
244.09845	1.0
248.09148	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28790	1.4
55.01870	10.1
55.05510	55.4
57.03431	6.8
57.07076	2.6
67.05499	60.0
69.07057	65.9
71.04979	7.1
73.06539	3.2
75.98187	1.6
79.05485	43.2
80.23278	1.6
80.76006	1.5
81.07041	94.4
83.04983	11.4
83.08614	32.9
85.06526	4.0
91.05471	18.9
93.07034	65.5
95.04984	2.1
95.08589	100.0
97.06498	20.2
97.10168	14.5
105.07022	11.4
107.08577	25.4
109.10152	39.3
111.08083	9.8
111.11737	3.7
119.08595	10.4
121.10126	47.4
123.08122	1.9
123.11707	12.4
125.09612	1.9
131.08556	9.9
133.10120	13.8
134.48283	1.6
135.11671	11.0
137.09622	4.1
137.13251	3.2
139.11192	16.9
141.35098	2.0
145.10139	11.0
147.11681	2.6
149.13229	6.8
151.11234	2.2
159.11679	7.9
167.14346	1.8
173.13254	3.6
195.13823	3.8
203.12802	2.6
215.17952	11.0
233.18988	27.1
251.20010	99.8
269.21042	35.6
283.22559	6.3
301.17581	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	302.087
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
52.10341	0.2
53.03928	0.5
54.81202	0.2
55.01865	0.2
56.96531	0.2
57.03421	1.0
59.07210	0.2
61.02913	1.7
69.03412	3.9
73.02904	0.5
78.03435	1.0
81.03384	1.5
85.02892	9.4
85.82558	0.2
87.04432	0.3
91.03938	0.3
93.84264	0.2
97.02873	3.4
98.12919	0.2
98.97517	0.3
99.04430	0.3
109.02849	0.3
112.53722	0.2
122.02365	2.4
124.65968	0.2
127.03878	1.0
134.05975	0.2
140.03409	100.0
145.04930	1.0
152.07088	1.1
174.09332	0.2
249.69963	0.3
302.08612	3.2
302.11710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
50.94336	1.1
53.00291	1.2
53.03929	3.2
55.01855	1.9
55.05503	22.0
56.63982	1.1
56.96542	1.3
57.03419	2.0
57.07050	8.9
59.04975	1.9
65.03916	2.7
67.05151	1.3
67.05492	33.4
69.03406	10.7
69.07063	15.7
71.04984	25.5
71.17046	1.1
79.05055	1.9
79.05473	35.9
81.07040	71.6
83.04955	1.3
83.08589	6.3
84.28793	1.4
85.06516	2.7
87.04422	2.1
91.05459	50.9
93.07021	60.0
95.04948	21.3
95.08577	20.7
97.06512	9.9
103.05448	7.0
105.04498	1.2
105.07014	100.0
107.08576	57.4
109.06504	32.8
109.10146	25.2
111.08070	1.3
113.51241	1.3
115.05446	6.8
116.06185	2.4
117.07002	32.6
119.08550	77.1
119.09397	2.7
121.06476	11.7
121.10115	39.7
123.08030	5.5
123.11713	2.5
125.09690	1.7
128.06206	8.5
129.06967	11.7
130.07761	20.5
131.04906	1.2
131.08542	59.9
133.06554	1.3
133.07535	1.4
133.10106	47.9
135.08043	17.6
135.11639	15.2
137.09595	1.8
141.07039	1.5
142.07747	9.8
143.08536	36.6
144.09346	11.5
145.10103	84.1
146.07220	10.9
147.07986	2.4
147.11638	15.3
149.09584	1.8
149.13216	7.2
154.07739	1.4
155.08522	2.3
156.09338	7.4
157.10100	16.1
158.10909	16.8
159.08002	3.0
159.11639	17.4
161.09587	44.6
161.10878	2.4
163.11099	11.1
163.14699	1.7
167.08530	2.6
168.09328	2.0
169.10060	2.5
171.11650	8.3
172.12361	1.5
172.44540	1.4
173.13225	62.8
175.14838	6.1
179.08467	5.0
180.09348	1.4
181.10115	1.9
183.11642	6.6
185.13179	6.4
187.14771	2.5
189.12817	1.3
191.14244	10.2
193.10007	1.9
194.10922	5.4
195.11670	5.2
197.13103	1.8
199.14761	6.6
201.12651	1.6
201.16415	1.8
209.13213	7.8
223.14656	2.5
227.14198	3.1
265.19519	2.6
269.12817	2.5
283.20352	2.0
301.17685	8.8
301.21048	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52839	2.8
53.03926	4.0
55.01851	7.8
55.05506	41.6
56.96531	3.4
57.03417	20.4
60.98771	3.2
62.92725	3.0
67.05486	74.8
69.03397	4.0
69.06721	5.2
69.07058	94.4
70.25925	3.0
71.04967	24.8
71.08626	25.6
73.06539	6.3
79.05469	66.9
81.03405	55.8
81.07037	83.1
82.18882	3.9
83.04950	17.4
83.08598	22.9
85.02895	6.5
85.06528	5.1
91.05465	100.0
93.07020	94.5
95.04945	15.6
95.08582	35.5
97.02857	4.6
97.06506	29.9
99.08086	13.8
103.05454	5.2
105.07039	26.8
107.04929	5.3
107.08578	50.4
109.06480	5.3
109.10125	28.4
111.04430	3.9
111.08040	4.7
111.21761	4.3
116.98508	4.3
117.06995	22.5
117.75709	3.3
119.08569	56.7
121.06505	5.3
121.10133	19.8
122.14510	3.8
125.05974	15.7
125.09601	18.1
131.08513	23.8
133.10129	27.0
135.08041	4.8
135.11681	12.7
137.09602	20.3
143.07016	8.2
147.08067	4.7
149.09641	7.8
149.13231	14.6
151.11127	4.9
153.09041	8.3
159.11732	33.1
165.09099	25.0
177.12662	7.5
183.10136	22.8
198.06819	4.1
201.16441	5.5
219.17455	7.0
247.16879	14.7
265.17871	32.2
269.17432	36.5
286.04779	39.8
289.24640	3.7
297.11591	3.8
301.06964	23.7
301.10208	3.5
301.14264	7.9
301.20322	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	301.201
Annotation	Achaetolide
Peak:m/z	Relative Intensity
50.31226	1.3
53.03952	2.0
55.01858	3.2
55.05508	22.8
57.03437	20.2
65.03923	1.9
65.93523	1.4
67.05498	72.5
69.07053	36.7
71.04980	26.6
71.08621	6.6
72.76132	1.4
73.06542	2.1
73.60233	1.4
79.05478	46.8
81.03396	8.5
81.07042	100.0
83.04972	10.4
83.08623	15.8
85.06527	6.9
86.09722	2.5
87.04493	1.4
91.05462	44.0
93.07027	75.5
95.04947	9.9
95.08588	24.0
97.06509	21.9
98.97561	2.1
99.08099	7.2
103.05477	2.6
105.07023	18.9
107.08584	37.9
109.06494	3.2
109.10162	11.4
111.04459	1.7
111.08076	9.7
115.07552	2.0
117.07001	24.0
119.08571	5.9
121.06503	1.8
121.10128	8.0
123.11679	2.8
125.09633	6.7
131.04886	2.4
131.08568	27.0
133.10123	26.2
135.08087	2.8
135.11699	11.7
137.05936	3.0
141.23291	1.5
143.07005	5.9
145.10156	3.3
149.05940	2.5
149.09608	2.0
149.13219	18.5
151.11172	7.3
159.11668	43.2
161.13235	2.5
165.09058	1.9
168.95140	1.5
171.15919	1.6
174.99751	1.6
177.12727	24.9
179.14317	7.6
195.13799	6.5
219.17509	2.3
247.16872	3.1
251.16432	2.5
258.05164	1.9
265.17953	9.9
269.17432	61.0
301.14355	1.5
301.20181	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40633	1.8
53.03926	3.5
54.81445	1.8
55.01627	3.5
55.01867	53.9
55.05238	2.5
55.05508	73.3
56.96554	9.4
57.03431	76.7
57.07066	3.9
65.03892	1.7
65.97597	2.0
67.05495	45.3
68.75031	1.9
69.03415	12.9
69.07056	19.7
70.06577	22.2
71.06911	2.5
73.02904	27.8
78.46252	1.9
79.05477	57.3
79.05899	2.7
81.03394	11.2
81.07039	46.5
82.04157	2.7
82.06590	4.3
83.04968	36.2
83.08606	24.1
83.58298	2.1
85.06522	2.7
91.05457	28.1
93.07029	36.2
95.04941	20.7
95.08580	29.1
97.02891	4.6
97.06509	13.3
97.10147	31.2
98.07308	8.6
98.97563	26.6
100.11243	13.7
101.06005	5.4
101.11581	4.0
103.05463	3.8
105.07038	14.3
107.04959	11.2
107.08585	31.3
109.06507	4.7
109.10149	5.2
110.06044	3.0
111.04431	8.5
111.08098	4.1
115.05492	2.0
116.04690	33.2
116.98602	20.7
117.07003	5.1
119.08557	11.1
121.06467	3.2
121.10138	8.8
123.08057	10.4
125.09608	23.8
129.05452	100.0
129.06961	2.7
131.08545	4.0
132.58972	2.8
133.10138	9.0
134.99612	11.5
135.11707	21.9
137.05952	22.2
138.06271	2.1
143.06949	15.5
145.06476	2.2
145.10088	16.6
147.04327	2.4
147.11684	3.8
157.08562	40.9
158.99667	4.1
163.11183	22.8
163.92268	2.1
171.10126	10.4
175.11296	2.3
177.00653	5.1
180.23598	2.0
181.12108	3.0
182.15428	11.6
183.15771	4.6
189.11186	20.7
199.13351	4.3
199.17963	4.3
200.14159	3.5
207.82159	2.3
210.14909	3.0
211.15381	2.1
227.12741	53.9
252.10960	2.3
266.76776	2.5
283.15466	19.0
301.16458	52.3
311.12781	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1643
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
51.68594	2.9
53.03933	4.5
54.81174	3.1
55.01867	29.7
55.05499	28.6
56.96552	8.0
57.03430	48.0
65.03922	3.9
67.01163	3.1
67.05491	73.4
69.03395	5.4
69.07059	17.9
70.06565	5.2
71.04975	8.6
72.08135	6.4
79.05468	82.6
81.03387	18.3
81.07030	61.3
83.04958	43.9
83.08604	4.8
84.04496	25.3
84.08136	4.9
85.02885	4.7
85.06538	5.7
91.05455	44.5
92.64365	3.6
93.07026	100.0
95.04944	31.3
95.08591	35.0
97.02869	5.2
97.06499	19.8
98.97564	32.6
103.05434	3.6
105.07020	22.0
107.04950	47.1
107.08581	35.1
109.02855	5.2
111.04408	34.7
111.08096	4.2
116.98585	14.8
117.06995	30.2
119.04918	6.3
119.08560	21.5
121.06453	5.5
121.10114	36.2
122.03561	3.5
123.08052	4.5
129.06981	6.6
131.04875	5.3
131.08546	18.6
134.99635	3.8
135.11673	33.3
137.05951	21.5
145.06419	7.8
145.10092	51.6
147.08087	5.3
149.09589	5.2
152.96356	5.2
153.12709	4.4
155.08600	7.2
163.11125	45.8
173.09592	27.6
177.00763	5.5
178.04968	19.8
179.05270	5.9
181.12184	14.6
188.38747	3.9
191.10658	16.3
209.11739	20.2
216.00897	4.0
227.12898	11.0
283.15363	19.1
301.16440	81.1
307.34723	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65487	1.9
53.03943	5.9
53.15240	2.4
55.01867	28.7
55.05511	31.0
56.42868	2.0
56.91050	2.2
56.96553	10.4
57.03429	56.0
57.39790	2.1
64.38376	2.8
65.03925	2.8
67.05494	89.1
69.03402	4.6
69.07054	16.3
70.06586	38.3
71.04975	12.8
71.06910	5.3
73.02882	5.3
73.06496	2.5
79.05479	100.0
81.03400	13.1
81.07042	73.3
83.04963	49.5
83.08598	13.8
84.08131	3.6
85.02879	5.2
85.06540	5.9
91.05461	60.7
93.07031	85.2
95.04940	28.8
95.08596	32.0
97.02866	21.8
97.06503	21.7
98.97568	20.9
99.04415	6.2
103.05428	2.6
105.07018	23.9
107.04942	49.3
107.08586	40.3
109.06511	13.0
109.10098	5.4
111.04421	62.4
111.08080	13.0
115.05414	3.3
116.98598	12.7
117.06987	36.1
119.08559	26.2
121.06473	4.5
121.10124	52.8
123.04377	3.6
123.08061	3.5
128.06157	3.3
128.98621	3.1
129.06987	11.2
131.04906	10.1
131.08562	18.6
133.10120	3.1
135.04385	4.7
135.08046	4.4
135.11682	37.1
137.05952	45.6
139.03888	10.7
145.06470	9.7
145.10110	64.0
146.99629	3.1
147.08078	3.4
149.09627	4.8
153.06963	5.3
153.12746	16.8
155.08517	12.9
161.05946	3.5
163.11160	48.1
173.09618	26.6
178.03935	4.3
181.12221	16.2
191.10541	23.2
209.11726	17.1
227.12653	9.4
237.02942	4.0
265.14316	9.5
281.08514	4.3
283.15387	15.0
301.16391	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	56.4
55.05504	48.5
57.03429	61.2
67.05495	45.4
67.26751	2.6
69.03402	6.9
69.07044	14.9
71.04971	3.8
72.01047	2.7
73.02899	17.9
73.28648	2.5
79.05478	44.7
81.03411	6.7
81.07038	31.7
82.04198	3.8
83.04963	27.9
83.08592	14.9
91.05471	43.7
93.07022	34.8
95.04956	18.7
95.08582	14.9
97.06476	7.1
97.10146	24.9
98.07311	6.4
100.53772	3.1
105.07017	21.3
107.04940	3.6
107.08582	24.0
111.04428	3.7
111.08100	4.3
116.04703	38.9
117.06995	22.3
119.04942	7.4
119.08543	17.1
121.06479	6.0
121.10109	3.8
122.06014	5.4
123.07988	3.8
125.09613	21.2
129.05450	100.0
133.10100	6.2
133.49185	3.7
135.08034	5.9
135.11658	4.2
136.07526	4.0
137.05951	30.9
143.07018	14.8
145.06465	11.5
145.10152	4.1
147.11700	4.8
151.07549	29.1
153.07030	3.6
157.08560	39.9
157.09822	3.4
157.86603	3.1
163.11203	4.5
165.06969	4.2
171.10080	7.2
177.09062	3.7
189.11208	16.7
193.12160	4.5
194.12589	16.8
199.13214	5.3
200.14050	4.6
209.09557	7.9
227.12718	27.1
237.09137	4.4
241.12184	7.2
250.14238	15.4
251.14673	39.8
269.11646	4.8
269.15704	21.8
301.16663	43.9
318.75946	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	300.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15709	0.2
56.96542	0.3
58.82190	0.2
67.05498	0.5
70.06581	100.0
70.88506	0.2
79.05474	0.2
81.07056	0.3
93.07024	0.4
95.08633	0.2
98.97587	0.9
116.98603	0.5
134.99635	0.4
137.05928	0.4
145.17743	0.2
206.89731	0.2
209.27763	0.2
265.17838	0.3
282.20636	5.1
283.92389	0.4
300.21741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01865	4.9
56.53082	0.9
59.96034	1.0
70.06577	4.5
79.05479	7.4
81.03389	1.9
81.07037	1.9
84.04476	1.3
91.05452	15.7
92.71647	0.9
93.07027	11.7
94.04150	0.9
95.04945	6.8
98.97517	1.4
102.56943	1.0
103.05446	12.8
105.04475	1.2
105.07010	12.6
107.04942	100.0
109.06525	1.3
111.04439	1.2
115.05424	1.9
116.98650	1.5
117.07025	1.3
119.04913	10.7
119.97383	1.1
121.02874	8.6
121.06485	62.9
122.03568	1.2
128.06232	2.2
129.07002	11.7
131.04932	14.7
131.08537	1.4
133.06477	16.3
135.08020	1.4
137.05966	17.4
141.06946	1.6
144.05663	2.2
145.06473	7.3
147.08018	1.6
149.05952	2.0
151.07559	1.4
152.06174	4.7
153.06972	4.7
154.07761	4.0
155.08549	2.1
157.06482	7.6
158.07280	1.2
159.07956	1.2
161.05986	5.7
163.07532	10.0
165.06924	8.8
166.07738	3.6
167.08531	19.6
169.06494	1.6
169.10092	3.9
174.06714	4.3
175.07539	1.5
176.06314	1.2
177.06920	11.0
178.07770	5.8
179.08524	25.7
181.06477	16.7
182.07245	31.8
182.57411	1.1
183.08073	4.8
184.08813	1.4
189.09155	8.9
190.07753	5.5
191.74045	1.0
194.07294	10.3
195.08026	46.8
197.05951	2.1
197.09590	61.3
199.07457	1.7
205.06493	5.8
205.10152	2.3
207.07965	7.8
208.08777	9.4
209.09660	1.1
209.11772	1.3
210.06689	11.2
211.07530	2.1
211.11145	1.4
218.07246	1.4
222.06729	3.9
223.07549	37.7
223.11073	28.0
225.05676	1.2
225.09071	35.3
233.09566	1.3
236.08386	1.7
237.09035	10.5
239.07007	8.6
239.10814	1.5
240.07837	3.9
242.09445	2.1
251.10648	6.3
255.10085	23.0
257.11667	51.3
277.35995	1.1
283.13217	9.1
301.14133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31779	0.6
55.05507	1.6
55.84081	0.6
57.03419	1.2
59.33350	0.7
61.11829	0.7
67.05487	1.4
69.07057	1.6
71.04966	2.9
74.09697	5.7
79.05476	4.0
81.07041	4.5
91.05450	1.8
92.08622	1.8
93.07026	3.3
95.04935	4.9
95.08558	1.0
97.06519	9.6
98.53522	0.7
98.97545	2.9
105.07006	1.0
107.04963	0.9
119.04935	1.1
121.06479	4.4
123.04402	16.4
133.06468	3.8
134.99634	1.0
135.04369	0.9
137.05972	8.0
147.04408	1.5
151.07509	9.9
153.05449	9.1
153.06540	0.9
159.08005	7.0
161.09576	1.1
165.05441	91.5
174.06796	1.1
176.08374	1.3
177.09143	1.0
178.06186	0.7
179.06996	4.4
183.06723	0.8
189.09071	9.6
191.06995	4.8
202.09853	1.0
203.10634	1.7
205.08649	1.2
207.10126	100.0
215.10657	5.0
233.11688	58.9
251.12703	0.9
265.14279	32.9
267.25079	0.8
277.00681	1.5
321.95157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.9
53.03943	7.6
53.72846	1.4
55.01863	12.8
55.05505	38.3
56.05028	3.2
57.03154	1.8
57.03430	46.9
58.35225	1.4
59.04996	1.5
64.58269	1.6
65.03915	2.0
67.05492	85.3
69.03429	13.9
69.07056	81.5
71.01342	2.6
71.04970	14.5
75.85382	1.6
79.05475	90.7
81.03393	20.8
81.07039	100.0
83.04978	18.5
83.08602	13.7
85.06525	3.0
86.90060	1.8
87.08034	1.6
91.05461	75.4
93.07024	73.9
95.04953	25.7
95.08587	62.0
97.06522	13.9
97.10152	1.9
98.09679	3.0
99.08058	3.2
105.07016	46.5
107.04945	16.4
107.08579	41.0
109.06499	18.5
109.10123	18.7
111.08069	4.0
115.05248	1.7
117.06989	24.5
119.08559	38.8
121.06474	6.4
121.10140	29.2
123.08028	18.3
123.08758	1.3
123.11645	2.6
125.09640	11.2
129.07001	7.6
131.08533	33.5
133.06453	3.2
133.10074	16.9
135.08035	20.7
135.11676	3.2
137.09569	9.7
137.99648	1.4
139.11183	7.6
143.07036	2.2
143.08586	6.7
145.10112	17.2
147.08041	1.6
147.11682	6.8
149.09596	34.1
150.75310	1.6
151.11195	3.0
153.09081	17.9
159.11681	11.4
163.11203	6.9
165.09125	3.1
167.10649	17.0
168.50710	1.6
169.10075	6.7
171.10155	2.9
171.11647	2.1
173.13268	2.1
177.09201	1.8
187.11145	2.1
187.14847	3.0
195.10258	2.2
201.16357	9.1
211.14761	1.8
219.17383	5.7
229.15884	7.5
247.16823	17.2
265.17899	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	300.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41786	0.6
55.05485	1.2
57.03431	0.9
59.59909	0.6
63.02999	0.7
67.05480	1.2
69.07045	1.8
79.05446	1.1
81.07023	1.1
91.05431	1.1
93.07043	0.9
95.04945	3.0
97.06509	9.4
98.97547	1.4
105.07010	1.4
107.04916	2.7
110.10355	0.8
116.98572	1.4
119.04931	1.2
121.06509	1.0
123.04420	14.7
128.15137	0.7
133.06451	3.6
135.04395	0.9
137.05927	4.7
147.04344	3.4
151.07503	8.8
153.05460	5.4
159.08003	4.7
161.09534	1.1
165.05441	78.4
176.08250	0.9
177.09068	0.8
187.07570	0.8
189.09100	6.7
207.10135	100.0
215.10583	3.5
233.11667	15.5
265.14294	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2213
Annotation	[1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate
Peak:m/z	Relative Intensity
53.00294	1.4
53.03926	1.6
55.01852	6.5
55.05267	1.6
55.05504	26.0
57.03426	1.9
57.07063	6.2
63.20131	1.1
67.05491	38.8
69.03407	5.1
69.06729	1.2
69.07047	12.8
70.61169	1.5
71.04963	7.7
71.08249	1.8
71.08612	39.5
79.05476	18.9
81.03387	21.4
81.07031	20.7
83.04954	8.0
83.08607	11.2
85.02898	2.5
85.06522	1.9
85.85783	1.6
91.05452	14.5
93.07014	26.6
95.04942	21.5
95.08588	33.8
97.06487	5.5
97.10133	6.1
98.97538	2.7
99.08067	19.2
105.06964	9.6
107.04939	3.1
107.08584	13.7
109.06473	5.7
109.10140	21.4
111.08091	1.3
111.57400	1.6
116.98596	3.0
117.06986	1.6
119.08561	7.7
120.80848	1.3
121.10112	8.8
123.08049	2.0
125.03304	1.3
125.09571	2.0
127.11166	1.7
129.06975	1.6
131.08539	1.7
133.10129	5.4
134.99634	2.4
135.11688	2.2
137.09601	12.3
145.10109	2.2
147.11662	2.9
149.09598	6.4
149.34128	1.2
151.11174	27.0
154.00850	1.1
155.10585	1.3
159.11667	1.6
165.12718	5.4
167.10904	1.2
167.53387	1.1
207.13640	1.5
263.19989	40.0
281.21039	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	300.09
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72525	1.0
55.01870	78.2
56.96564	1.1
58.99596	1.6
62.34038	0.9
64.33463	1.2
65.03920	1.1
65.28967	1.0
69.07054	1.1
70.06581	33.5
72.08131	4.7
73.58176	1.0
76.02206	5.8
77.86010	1.0
80.55242	1.0
82.91734	0.9
86.09693	47.0
86.99061	1.0
91.04946	1.0
91.05464	5.3
92.09325	2.0
95.04945	1.5
98.97588	4.8
105.00082	1.4
105.06999	1.5
107.04966	1.3
116.07073	40.1
116.98624	2.7
119.04926	87.1
120.47546	1.1
122.02703	12.0
123.04406	4.8
125.05955	7.9
134.99567	1.4
137.00534	2.1
137.05954	1.8
138.09125	1.5
147.04398	96.7
151.03873	7.7
155.01608	35.1
157.13348	12.2
161.05984	1.4
169.03156	40.6
179.07010	100.0
185.12848	4.2
188.92467	2.3
211.04222	42.5
277.00735	1.8
300.08951	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	300.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
57.03420	0.4
61.02916	0.5
62.06076	30.6
69.03419	1.2
76.03961	0.3
81.03400	0.4
85.02886	4.2
85.06554	1.5
91.05463	3.7
93.07020	9.3
95.04963	1.5
97.02865	0.8
101.05994	0.2
102.06350	0.3
103.05446	4.7
105.04526	0.3
109.02903	0.3
114.42283	0.2
121.06481	100.0
122.06833	0.3
127.03854	0.4
138.05511	0.5
138.09126	4.1
175.17780	0.2
193.03151	0.3
235.33145	0.2
262.66003	0.2
282.13217	0.3
295.08524	0.2
300.14349	2.6
304.21844	0.2
307.85541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.9
55.05506	1.3
57.03432	5.8
57.07067	26.9
58.82338	0.6
59.04990	14.2
61.02605	1.0
61.02914	25.1
62.06075	2.6
63.47868	0.5
67.05491	40.0
69.03415	6.0
70.06568	0.7
70.10136	0.5
71.04974	0.7
73.02905	1.0
81.03401	2.4
84.08123	0.6
85.02890	23.0
85.06528	100.0
91.05480	1.1
93.07022	3.1
97.02879	5.7
103.05460	1.2
103.07561	34.0
108.79615	0.6
109.02892	1.2
119.28576	0.6
121.06488	34.3
121.08585	27.8
127.03911	2.8
135.55426	0.7
136.06160	0.9
138.09164	2.2
145.05009	0.9
146.98131	0.7
147.04430	0.8
153.03023	0.6
168.13477	0.7
184.73415	0.6
278.53336	0.6
300.14499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37804	1.9
55.05503	4.1
56.96546	2.8
66.60934	1.9
67.05493	12.2
69.07068	3.1
76.78345	2.4
79.05487	13.3
81.07043	8.8
83.04958	2.8
88.48267	2.2
91.05457	47.9
91.50105	2.0
93.07028	11.1
95.08600	10.9
98.97540	2.5
105.07005	21.8
107.08575	4.9
115.05453	2.2
116.06231	12.9
119.04910	5.2
119.08562	15.3
121.06532	2.4
121.09113	1.9
121.10101	12.6
129.06996	13.7
131.08546	63.3
147.11652	3.2
149.09575	2.4
157.10127	3.2
159.08032	100.0
171.11700	3.0
200.07555	2.7
207.11668	2.8
225.12553	2.7
281.19107	4.5
299.20081	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	299.2004
Annotation	2,6-Dimethylhexestrol
Peak:m/z	Relative Intensity
55.01867	0.6
55.05500	1.8
57.07067	0.7
57.20761	0.4
61.58327	0.4
61.92143	0.4
67.05499	3.3
69.07050	2.1
73.35567	0.3
79.05475	2.1
81.07047	4.9
83.08605	0.5
91.05469	3.9
93.07034	3.6
95.04923	0.6
95.08585	2.8
97.06528	0.7
98.97548	1.0
100.20209	0.4
105.07013	3.8
107.08588	4.1
109.10133	3.1
116.98598	1.1
117.07001	0.7
119.04912	2.4
119.08534	0.8
121.06520	0.7
123.11656	0.4
128.06165	1.9
128.96579	0.4
129.06963	4.0
133.06453	2.3
133.10097	2.6
134.99658	0.9
135.08026	14.4
137.05937	0.7
143.08553	2.9
144.09340	0.4
145.10155	0.5
146.07265	0.6
147.08041	25.9
151.11172	6.5
159.08064	1.0
161.09589	36.6
163.11195	1.0
173.09624	0.9
175.11223	0.5
182.02116	0.4
183.08089	1.8
185.09595	0.9
187.11113	0.6
198.10345	6.0
200.11949	0.7
211.11060	0.5
213.12769	5.2
271.16885	2.5
275.97845	0.6
299.20010	100.0
311.31149	0.5
316.81342	0.5
319.97275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
53.44452	2.3
53.78681	1.9
55.01857	10.0
55.05499	14.9
57.03402	2.7
57.07075	22.8
67.05497	30.7
69.03436	3.5
69.06718	4.8
69.07057	86.4
71.04976	3.9
73.06535	12.3
79.05116	2.8
79.05485	46.1
81.03391	17.1
81.07037	36.7
83.04942	11.9
83.08623	2.8
85.06532	10.2
88.99261	2.7
91.05462	38.0
93.07030	44.9
95.04957	20.4
95.08585	39.5
97.06513	25.4
98.97597	4.7
105.07015	33.2
107.08584	18.3
109.06493	3.6
110.23824	2.4
111.04414	11.0
116.98666	4.0
117.06996	10.0
119.04958	4.5
119.08575	33.6
121.06442	4.0
121.10151	20.1
123.08062	49.7
125.05962	5.5
125.09641	3.4
129.06996	4.1
131.08510	12.6
133.10104	49.4
134.99593	3.4
135.08018	10.4
137.09569	10.1
143.07024	29.2
143.08536	4.7
145.10118	5.1
147.08035	13.4
147.11687	5.9
149.09612	100.0
157.10074	3.8
159.11623	6.2
161.08284	5.9
161.09610	31.5
165.09056	18.7
169.06468	3.0
171.11736	10.0
173.13231	3.6
175.14809	5.1
179.10670	3.1
195.10074	3.2
199.14769	11.1
203.14259	5.1
207.10150	26.1
207.13777	2.8
217.15749	23.0
224.36938	2.7
245.15314	22.2
263.16357	53.9
281.17419	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	299.1996
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
50.83861	0.5
54.15785	0.6
55.05278	0.6
55.05502	7.2
57.35413	0.5
66.99146	0.6
67.05482	4.7
69.03383	1.0
69.07043	4.1
71.04945	0.7
79.05462	4.2
80.84475	0.6
81.07032	4.5
83.04974	0.9
91.05452	6.4
93.07028	7.0
95.04944	1.0
95.08557	7.3
97.06506	1.2
97.10177	1.0
101.55021	0.9
105.07026	9.7
107.08566	6.9
109.10131	3.9
116.98606	2.8
117.06987	1.3
119.08537	3.5
121.06489	5.0
121.10131	5.8
128.72832	0.8
129.06938	0.9
130.59679	0.7
131.08522	1.7
133.06433	1.3
133.10110	5.6
135.08003	6.1
141.07007	1.5
142.07771	0.8
143.08458	1.0
144.05588	0.7
145.06462	1.7
145.10117	2.9
147.08018	3.8
147.11638	0.9
153.07004	0.7
154.07750	1.0
155.08498	1.1
156.09247	1.0
157.10121	1.6
158.07217	1.4
159.08020	8.0
159.11606	0.9
161.09570	23.3
165.06935	1.3
167.08530	1.2
169.10086	1.6
170.07265	1.0
171.07967	4.0
172.08768	1.2
173.09587	10.1
175.11179	1.4
179.08524	1.0
181.10068	1.7
182.07150	0.8
183.08035	4.5
183.11658	1.3
184.08838	0.9
185.09576	8.8
187.11095	3.8
193.10106	3.1
195.08040	1.6
196.08784	3.3
196.21533	0.7
197.09575	19.2
197.13226	0.9
198.10291	2.9
199.11191	6.7
207.11679	1.1
209.09538	1.4
209.12955	0.8
210.10364	3.6
211.11131	17.4
213.12715	3.0
222.06023	0.7
222.10439	0.9
223.11140	3.9
224.11786	0.9
225.12685	9.5
237.12766	1.5
238.13539	3.5
239.14268	4.1
251.14291	12.5
252.15042	0.7
252.35936	0.7
253.15750	1.4
253.19252	0.9
266.16544	4.8
276.59607	0.9
281.18924	6.5
299.19986	100.0
300.20340	0.8
301.78375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1851
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
53.03935	1.2
55.01867	1.3
55.05502	12.2
57.03432	2.7
67.05492	22.1
69.03401	1.9
69.07050	8.1
72.30184	1.1
74.51511	1.2
75.20165	1.0
79.05011	1.6
79.05478	42.9
79.54541	1.1
81.03397	2.6
81.07043	22.9
82.80835	1.2
83.04977	8.1
83.08597	4.7
91.05462	64.5
93.07027	43.9
95.04977	10.9
95.08602	16.8
97.06516	1.3
98.97576	2.2
103.05452	1.7
105.07013	32.1
107.04951	2.5
107.08595	11.8
109.06490	2.8
109.10116	1.7
115.05428	2.6
116.06195	13.1
116.98640	1.4
117.07018	5.6
119.04880	4.4
119.08559	25.6
121.06509	2.0
121.10123	9.4
123.08060	2.2
125.09682	2.0
128.06209	2.4
129.06989	22.9
131.08545	68.9
133.10147	5.0
142.07782	2.6
143.08554	7.5
145.10085	7.1
147.11661	14.3
149.09613	2.8
155.08589	2.0
156.09303	2.2
159.08026	100.0
159.11636	2.3
161.09605	1.8
161.13268	2.9
169.10176	1.3
171.11678	7.7
189.12691	2.5
193.10197	1.4
199.11139	2.4
207.11783	1.6
207.13786	7.3
223.14896	1.9
225.12665	1.4
249.46111	1.3
281.17538	14.1
299.19894	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	299.1852
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
54.81548	6.6
55.01867	7.8
55.05499	8.7
57.07061	27.3
57.95662	4.9
58.75513	4.8
67.05492	41.1
69.03389	6.3
69.07056	96.0
71.04959	7.3
73.06516	9.3
79.05488	51.2
81.03384	13.6
81.07035	45.9
83.04951	6.8
83.96789	5.1
85.02934	5.1
85.06561	6.2
90.40862	5.0
91.05455	42.7
92.08707	12.0
93.07029	46.9
95.04977	10.6
95.08579	60.0
97.06488	22.5
102.34655	5.1
105.07040	41.3
106.53135	6.4
107.04951	6.7
107.08581	26.7
108.61116	5.3
109.06499	8.1
109.10128	9.2
111.04426	8.3
111.57561	7.0
116.98571	7.3
119.08574	43.5
121.06539	6.9
121.10119	7.2
123.08021	47.1
131.08553	11.4
133.10129	55.4
137.09569	7.7
143.07016	13.8
143.08522	7.0
145.10080	11.0
147.11681	11.2
149.09593	100.0
153.70923	6.1
157.10146	5.9
161.09584	27.2
195.10056	7.8
198.43256	6.4
199.14874	7.2
207.10069	23.2
217.15956	8.7
223.02399	10.0
245.15376	13.9
263.16418	55.5
281.17627	12.9
299.09320	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	299.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.6
53.03938	3.1
54.13299	0.5
55.01851	0.6
55.05506	27.2
57.03431	23.3
59.04990	16.9
61.02913	8.7
62.06069	0.9
64.90191	0.5
69.03417	5.9
70.06576	1.1
71.04977	28.7
72.08129	0.7
73.02898	0.7
73.06537	4.1
73.14019	0.5
79.10180	0.5
81.03404	1.1
83.04967	38.8
84.04544	0.8
85.02889	17.6
86.03210	1.1
91.03931	0.8
97.02885	3.6
99.04405	1.3
101.05998	100.0
102.06345	3.9
103.04009	0.7
109.02856	0.9
114.29417	0.6
119.07034	14.0
120.07375	1.0
121.06470	1.1
127.03899	3.1
129.30534	0.6
136.06194	5.0
137.06586	4.5
137.08069	15.8
145.04985	1.0
166.09676	0.8
173.02991	0.9
188.92459	1.3
193.10844	1.4
239.11504	1.1
298.18781	0.8
299.09579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.1
59.28720	1.5
70.06573	3.7
72.08155	3.3
79.05505	2.2
79.59583	1.3
81.07068	2.1
88.08937	1.6
91.05487	3.2
92.08700	3.1
97.06528	6.8
98.06844	1.8
98.97556	2.5
106.06529	2.2
107.08604	2.0
116.98562	2.4
119.04961	1.4
120.08098	6.0
121.08887	2.1
122.06006	1.9
123.41379	1.4
126.95850	1.6
131.80652	1.5
136.07556	15.7
137.05936	1.7
149.08415	3.2
164.51299	1.5
190.95850	1.6
198.12878	2.0
199.09824	2.6
210.09634	2.0
210.11304	13.5
211.09930	21.4
211.12056	2.3
212.10748	3.4
212.13051	2.5
220.09900	2.5
225.13853	14.2
226.12267	7.0
227.15456	7.8
228.13812	20.0
239.12527	3.8
253.13277	12.2
254.11707	22.3
267.11951	24.5
271.14380	30.7
299.05490	11.3
299.14423	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	299.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31354	4.5
53.37106	4.2
55.05496	11.5
56.96544	29.6
81.07035	5.5
91.05453	7.1
96.08081	7.7
97.06495	6.8
98.97543	8.2
100.49854	6.7
105.06998	6.7
116.98627	9.6
121.02193	6.2
123.04385	6.5
134.99684	6.6
137.05930	6.1
150.72433	5.5
175.07904	5.4
185.04890	6.4
203.05777	8.4
243.28651	6.0
253.57010	6.3
267.08911	60.3
285.10040	100.0
299.12463	56.4
308.23318	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	299.1334
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
51.02376	0.1
53.00296	0.2
53.03934	1.9
54.29769	0.1
54.81395	0.1
55.01862	0.7
55.05504	18.0
57.03428	15.0
59.04989	12.5
61.02914	6.5
69.03416	2.4
70.06580	0.3
71.04976	24.5
73.02895	0.7
73.06541	3.0
75.04469	0.2
78.74006	0.1
81.03397	0.8
81.82080	0.1
83.04964	35.8
84.04477	0.1
84.08150	0.2
85.02887	8.7
85.06528	0.2
87.04420	0.2
91.05448	0.2
93.07014	0.6
93.14407	0.1
93.35246	0.2
97.02883	1.6
99.04443	0.7
99.56553	0.1
101.05996	100.0
102.06361	0.3
103.05420	0.3
103.07610	0.1
109.02863	0.7
110.07130	0.2
117.05403	0.2
119.07026	7.0
120.08052	1.1
121.06476	4.5
127.03880	0.9
133.08461	0.2
136.06181	0.6
137.08069	8.8
138.06345	0.2
138.09111	0.3
145.04973	0.2
156.10176	0.3
160.07640	0.1
161.07944	0.2
162.08145	0.1
180.10226	0.3
181.10519	0.3
192.10117	0.2
193.10468	0.6
199.82523	0.1
223.53987	0.1
225.31372	0.1
244.45302	0.1
268.13568	0.2
269.13824	0.2
298.14783	0.2
299.15588	0.6
300.97324	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	298.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10576	1.6
53.00313	2.1
53.03919	2.1
54.81868	2.1
55.01862	4.2
55.05265	2.1
55.05506	29.2
56.05855	2.0
57.03411	10.7
57.07068	10.7
67.05151	3.6
67.05495	97.4
69.03399	4.5
69.07053	47.0
71.04980	4.4
79.05475	60.5
80.05819	2.4
81.03401	8.4
81.07036	100.0
83.04968	9.3
83.08615	8.2
85.06530	3.5
85.10167	13.9
86.10503	9.0
91.05458	45.5
92.08670	2.7
93.07030	40.8
94.07352	2.9
95.04958	14.0
95.08585	34.9
96.08875	2.3
97.06508	5.0
97.10162	2.6
98.97552	26.9
99.08045	3.7
105.07017	28.6
107.08573	19.1
109.06499	5.5
109.10146	4.4
113.09581	15.3
114.09955	5.4
116.98600	29.5
117.06995	4.0
117.22910	2.2
119.08575	19.1
121.10094	15.1
123.08068	5.4
123.11691	2.7
129.07001	2.7
131.08534	9.7
133.10110	17.8
134.99640	19.4
135.11633	5.2
145.10095	3.3
147.11638	12.1
149.13315	2.8
150.13608	2.8
151.11134	3.5
151.14670	2.3
157.10051	2.9
159.11617	3.7
161.13301	2.9
163.94040	2.1
222.05869	2.0
263.20029	24.9
274.97473	14.8
280.23453	14.6
292.01871	2.3
292.98431	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	299.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.1
62.60242	0.4
64.80229	0.4
69.03413	0.6
69.07037	0.4
69.96152	0.6
70.95842	2.2
72.02207	0.4
73.02895	0.9
77.00877	0.7
79.05482	0.4
81.94334	0.5
83.04958	5.7
83.08632	0.6
83.19525	0.4
85.01367	0.7
88.96884	0.6
89.02365	0.5
98.97550	2.9
99.04436	1.0
101.00828	3.3
103.02426	6.2
110.62132	0.4
111.04446	4.1
113.05960	2.2
116.98609	2.7
119.01897	28.4
120.02044	1.0
121.01622	0.8
121.03491	6.2
125.04487	0.5
127.07487	4.1
131.96127	0.5
134.99628	2.9
137.02943	13.6
137.05963	0.6
141.03947	2.9
143.05515	6.7
143.18855	0.5
145.03456	10.2
147.05000	7.0
149.97191	1.9
150.96994	0.5
153.00739	0.6
155.07010	30.0
157.03438	0.7
157.07092	6.0
159.05002	2.8
161.06569	20.4
163.04485	18.1
165.06067	7.5
167.05399	0.7
169.07112	4.4
171.05002	5.9
173.06535	3.6
175.06586	0.8
175.08131	24.7
177.00931	8.8
178.01056	4.5
179.00609	0.8
182.99857	0.5
183.05006	1.6
183.08626	0.9
185.06563	15.9
187.04521	3.7
187.08133	22.3
189.06055	24.0
195.04959	3.2
197.96951	0.6
201.00922	0.7
201.06091	2.1
201.09688	4.1
203.07635	8.7
203.97179	0.6
204.02608	2.3
205.05632	3.4
207.07066	1.9
208.95911	1.0
209.96046	3.0
210.95753	0.8
211.04498	8.3
211.08160	2.0
213.06064	11.8
213.09604	6.4
219.01971	42.2
220.02057	4.7
221.02094	0.7
224.97581	0.5
227.07620	0.8
229.05531	7.5
229.08977	0.8
231.07127	6.7
231.10728	3.8
233.96072	2.3
234.03731	1.7
234.95926	0.5
237.06038	0.9
239.07668	1.1
242.03677	0.6
246.03789	0.7
247.06651	0.6
250.97127	0.8
251.97020	3.5
252.97041	0.6
255.07018	6.4
255.10721	7.2
256.96713	2.0
257.08655	8.8
258.96298	0.5
258.99631	1.7
261.03226	0.6
262.03152	3.0
274.97476	2.0
275.04449	1.4
275.09656	0.7
275.97156	4.6
276.04672	9.3
277.00769	2.5
286.04187	0.6
293.98187	4.6
294.05533	0.5
298.97818	6.9
299.09714	100.0
300.10028	0.7
317.10757	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	298.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23867	1.2
53.03929	2.9
54.84730	1.3
55.01864	6.7
55.05505	20.8
56.96555	8.5
57.03430	7.4
57.07052	1.3
60.39191	1.3
60.98732	1.3
65.03916	1.7
67.05141	3.3
67.05491	68.2
67.05851	2.4
69.03426	2.2
69.07052	41.4
79.05478	52.3
81.03396	3.7
81.07038	100.0
81.64925	1.6
83.04968	10.2
83.08594	6.0
85.06536	3.2
91.05455	31.8
93.07027	45.5
95.04953	19.4
95.08580	30.7
97.06522	9.5
98.97568	31.7
99.08086	11.2
105.07017	25.2
107.04941	2.1
107.08588	19.6
109.06473	15.0
109.10156	10.5
111.08035	3.6
111.61861	1.6
116.98596	31.4
117.07006	2.3
119.08569	18.9
121.10114	20.4
123.08056	9.5
123.11697	2.2
125.09592	2.1
129.06958	5.5
131.08536	7.7
133.10114	13.0
134.99648	25.4
135.11658	11.6
137.09579	7.2
142.07782	2.3
143.08449	1.7
145.10117	8.2
147.11650	11.4
149.13239	2.5
151.11172	3.5
153.00719	6.6
157.10077	2.2
158.71736	1.6
159.11571	3.6
161.13275	2.3
171.11557	2.3
173.13188	1.9
175.11095	1.9
245.18892	3.0
263.19974	53.5
274.97464	22.0
275.97739	1.6
292.98419	17.7
298.52905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.81010	0.1
54.98597	0.1
55.05491	0.1
56.96554	0.2
57.03408	0.1
57.43044	0.1
58.28004	0.1
61.00834	0.2
61.01140	6.3
64.53000	0.1
69.03415	0.6
70.06581	0.2
75.02270	0.1
75.02689	3.6
78.48887	0.1
85.02879	0.3
86.09671	0.1
94.04041	0.3
97.02877	1.9
98.97548	0.9
101.09587	0.1
103.02151	0.4
107.04935	0.6
108.05290	0.1
116.98609	0.7
119.03548	0.9
121.25391	0.1
127.28548	0.1
134.99641	0.6
136.06163	100.0
137.04541	0.8
145.03181	0.9
155.42578	0.1
163.04170	0.9
249.58527	0.1
274.94470	0.1
274.97476	0.2
292.98508	0.5
298.09607	3.8
305.74301	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	298.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.39991	0.3
55.05505	20.8
57.03426	3.2
59.04992	25.5
61.02905	1.5
63.64025	0.4
69.03410	2.8
70.34702	0.4
71.04964	1.6
73.06532	4.0
81.03399	2.1
83.04958	9.5
85.02890	14.4
92.08744	0.6
97.02880	2.3
98.97551	0.4
99.04427	6.4
101.05997	100.0
103.03920	12.2
106.69377	0.4
114.36816	0.4
119.07033	23.6
127.03880	9.7
136.06154	3.0
145.04933	4.3
152.05644	0.4
160.94012	0.4
163.05983	3.8
200.42155	0.4
208.05829	0.5
208.20850	0.4
226.06856	2.3
298.08975	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	298.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01846	0.3
55.05506	20.7
56.96552	0.2
57.03431	3.7
58.00001	0.2
59.04988	9.7
61.02909	1.3
61.59237	0.3
69.03413	3.0
73.06543	4.5
78.81143	0.3
81.03400	0.5
83.04968	10.5
85.02891	9.6
91.03920	0.3
97.02872	2.6
98.97579	0.6
101.05998	100.0
102.07401	0.3
109.02867	0.6
116.98611	0.3
119.07031	21.6
127.03878	0.7
136.06163	0.7
145.04945	1.5
149.49673	0.3
152.31990	0.3
157.99185	0.3
199.63898	0.3
279.88156	0.3
289.60452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82086	1.2
53.03922	2.2
55.01858	3.5
55.05270	1.3
55.05509	20.7
56.93054	1.1
56.96567	1.6
57.03442	1.8
57.07049	3.3
59.04966	1.5
67.05145	2.0
67.05492	56.4
69.07047	11.3
71.04977	5.2
76.65796	1.6
79.05474	17.7
81.03398	1.4
81.07039	100.0
83.04974	2.6
83.08602	5.6
85.06525	5.9
85.18822	1.3
91.00891	1.8
91.05447	10.8
93.07014	14.4
95.04943	5.8
95.08587	23.6
95.98576	1.3
97.06502	2.5
98.97554	7.5
105.07021	7.0
107.08596	5.8
109.06493	2.5
109.10143	6.4
116.98611	7.2
119.08564	2.2
121.10094	7.2
123.11671	10.7
128.62329	1.3
133.10051	7.8
134.99612	3.2
139.11151	1.7
151.11124	7.0
151.97502	1.3
152.37408	1.6
169.12152	1.6
187.13232	11.9
193.12158	2.2
211.51826	1.4
223.84105	1.5
263.19992	3.2
274.97565	3.3
292.98474	5.5
298.27499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08434	2.0
53.03927	1.8
55.05267	3.0
55.05506	52.0
56.96555	4.1
57.03418	2.3
57.07059	23.1
67.05491	54.7
69.07055	67.0
69.07407	4.1
71.08641	14.5
75.88486	2.0
79.05464	30.6
81.07038	100.0
83.04955	3.9
83.08601	40.7
85.10172	3.9
91.05463	5.1
93.07032	53.2
95.04929	3.0
95.08584	95.4
95.56919	2.1
97.06483	8.5
97.10136	35.4
98.97566	27.6
107.08580	39.9
109.10145	54.4
111.08040	3.4
111.11700	8.8
115.48553	2.2
116.98594	29.3
117.88941	2.0
121.10139	23.5
123.11700	16.1
125.09591	4.9
129.12782	2.7
134.99629	23.8
135.11673	36.8
135.12558	2.9
137.13251	2.5
140.54002	2.0
141.18399	2.0
147.58873	2.1
149.13246	28.8
151.14758	4.5
153.00717	3.1
153.12691	3.1
163.14821	9.0
165.16364	3.5
177.16432	2.6
190.95358	2.6
191.17903	3.8
205.19444	3.5
261.25827	19.6
274.97482	21.6
279.26755	18.1
292.98676	19.2
295.42438	2.3
296.65723	2.4
307.06781	2.2
311.92474	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	297.2422
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
53.00288	7.5
53.03913	1.3
55.01866	3.3
55.05509	19.9
56.96553	1.6
57.03428	2.4
57.07069	59.8
66.61805	1.4
67.05489	45.2
69.07047	14.3
71.08610	2.4
79.05479	23.2
79.18611	1.6
81.03424	1.9
81.07031	47.4
83.04974	4.0
83.08601	15.0
85.06522	3.4
85.10165	100.0
85.71129	1.6
91.05455	38.8
93.07019	26.4
95.04928	3.0
95.08588	34.2
97.06489	7.2
97.10130	10.8
98.97559	13.4
105.07010	17.2
107.08571	16.5
109.06506	2.5
109.10141	9.9
111.08043	3.9
113.09623	78.9
116.98591	12.7
117.07018	2.9
119.08566	1.7
121.10120	11.4
123.11682	3.6
125.09634	2.2
131.08521	9.6
131.10645	2.4
133.10112	47.0
133.11055	3.2
134.99625	6.2
135.08014	2.6
135.11627	2.5
145.10060	1.9
147.11633	7.4
149.09587	7.4
149.13242	24.1
151.11166	13.5
153.12730	2.1
159.11690	3.8
164.55681	1.7
165.12692	2.0
167.14297	14.4
173.13171	1.9
181.15846	6.1
243.20990	3.9
243.53798	1.6
259.98578	1.9
261.22037	13.9
274.97458	6.5
279.19498	29.8
279.23126	77.0
292.98602	6.9
297.24170	11.3
307.59332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1848
Annotation	Diethylstilbestrol dimethyl ether
Peak:m/z	Relative Intensity
52.90066	0.4
55.05494	1.2
56.96529	0.5
57.07059	0.5
67.05486	4.4
69.07050	1.3
71.62715	0.4
79.05460	2.8
81.07016	2.6
83.04970	0.6
83.08604	0.6
85.06492	0.6
91.05455	2.9
92.08704	0.6
92.63773	0.6
93.07039	2.5
93.71349	0.4
95.04935	0.6
95.08582	10.6
98.97543	2.2
104.12019	0.5
105.07033	3.9
107.08595	3.8
109.06482	1.1
109.10126	3.0
112.03542	0.5
112.29385	0.5
116.98621	2.1
119.08560	2.5
121.06490	2.9
121.10106	0.8
123.08086	0.7
129.07021	0.7
131.08525	1.0
133.10126	0.8
134.99677	0.7
135.08054	0.8
137.09584	3.2
143.08534	1.1
145.06462	2.6
145.10095	2.0
147.08026	15.0
149.09628	0.8
155.08572	1.1
157.06465	1.2
157.10152	0.6
158.07275	1.9
159.07968	4.5
160.08844	0.9
161.05960	0.8
161.09602	10.8
165.06937	1.0
166.07721	0.5
167.08603	0.8
169.10094	0.5
170.07329	0.8
171.08040	4.3
173.09593	3.8
175.07552	0.7
175.11122	0.8
179.08449	0.7
181.10191	0.6
183.08015	3.9
185.09586	3.9
187.07492	0.8
187.11145	0.7
193.10123	0.7
195.11737	0.8
196.08792	0.6
197.09616	8.6
198.10388	1.9
199.11060	3.6
201.09157	0.8
206.66617	0.6
209.09563	1.0
211.11153	14.1
212.11809	0.7
213.09042	1.1
213.12668	4.1
223.11072	0.9
227.10756	0.5
235.11171	0.6
237.12709	0.8
239.14236	3.9
249.12697	0.8
250.13608	0.6
253.15790	2.2
254.16568	3.6
255.17332	8.4
264.15082	0.9
267.13690	0.6
274.97357	0.8
279.17307	2.0
297.18439	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	297.2058
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
53.00275	1.5
53.03935	2.0
53.84513	1.6
55.01854	13.8
55.05508	31.2
56.96555	4.6
57.03424	3.1
60.36519	1.9
63.82616	2.0
65.62587	1.9
67.05495	33.9
69.03423	2.5
69.07054	28.2
71.02455	2.0
71.04969	11.1
72.49863	2.2
79.05472	25.3
81.03391	4.9
81.07038	31.4
83.04976	26.6
83.08593	13.7
85.02869	4.4
85.06525	3.1
90.36681	2.2
91.05453	19.5
93.07027	34.3
95.04948	100.0
95.08597	18.4
97.06529	3.3
97.10144	4.4
98.97577	28.8
99.04417	14.3
105.07009	14.6
107.04955	5.5
107.08566	18.4
109.06482	10.4
109.10108	3.5
110.08199	2.5
111.04426	29.5
111.08057	9.7
116.98598	36.8
117.06969	10.5
119.08541	15.6
121.06448	4.1
121.10104	11.7
124.94542	2.6
125.09628	8.5
131.08531	10.9
133.10088	4.7
134.99638	22.6
135.08032	25.8
135.11646	13.1
137.09619	2.5
143.08508	2.9
145.10086	13.4
147.07994	3.8
147.11691	2.5
149.09554	10.2
153.00681	3.7
153.12720	4.0
159.11702	2.8
161.09575	2.8
163.11157	23.0
181.12238	2.7
187.11147	3.5
190.95363	2.9
191.96980	2.4
201.32530	2.3
223.13266	45.8
261.18475	28.2
274.97440	23.3
279.19498	32.2
292.98544	22.9
297.20609	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	297.1694
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
50.39355	4.2
53.03933	4.3
55.01860	21.9
55.05505	89.5
56.96548	8.4
57.03427	57.4
60.19582	4.0
63.26160	4.6
66.24942	4.2
67.05499	87.3
69.03412	10.3
69.07060	38.7
79.05481	93.1
81.03402	33.9
81.07043	65.5
83.04961	22.5
83.08612	8.3
85.02897	8.2
91.05467	56.7
93.07026	64.8
95.04951	52.6
95.08571	43.8
97.06483	6.1
97.10120	20.6
98.97554	21.9
105.07011	25.2
107.04948	8.0
107.08576	25.0
109.06499	11.0
109.10139	10.7
114.36621	4.7
115.05430	5.6
116.98611	33.6
117.07006	20.9
119.08551	6.4
121.06489	10.2
125.09612	5.5
131.08565	11.7
133.10156	5.6
134.99626	24.9
135.11696	6.5
161.42955	4.8
166.53067	5.2
175.04938	7.1
205.06491	6.7
223.13246	33.3
265.13971	7.3
274.97427	4.9
292.98248	5.9
297.16885	100.0
308.62112	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	297.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81465	0.3
55.05483	0.4
55.81110	0.3
56.96550	0.4
67.05482	1.7
69.07060	0.5
79.05453	0.6
81.07037	0.8
85.92720	0.4
91.05410	0.4
92.63460	0.4
93.07019	0.9
95.08569	2.2
98.97557	3.2
109.10133	0.4
116.98605	2.6
119.70300	0.4
130.25311	0.4
134.99626	2.0
137.37627	0.4
141.06990	0.8
142.07748	1.4
143.08598	0.7
152.50389	0.4
153.06975	2.5
155.08560	5.2
168.09314	5.2
170.07246	0.9
171.08015	0.6
178.07716	1.6
181.06467	1.9
182.07274	0.4
183.08121	0.4
183.11650	5.2
186.22755	0.4
193.10095	0.7
195.08020	0.7
195.11754	0.5
196.08820	1.9
208.96341	0.5
211.11150	100.0
231.11644	0.4
235.14793	0.6
237.12735	0.5
237.16570	0.6
249.34280	0.4
261.16254	2.1
262.79892	0.4
274.97446	1.9
279.17340	1.0
292.98633	1.7
297.18289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01865	19.2
55.05505	65.5
56.96574	4.9
57.03221	4.2
57.03434	77.2
57.07066	6.7
63.58258	4.4
67.05496	77.9
69.03422	18.5
69.07059	33.7
70.08147	4.3
71.05002	6.4
75.12670	4.0
79.05477	71.3
81.03410	23.9
81.07037	68.7
83.04950	22.2
83.08591	8.5
85.02924	5.7
91.05463	61.3
93.07027	60.4
95.04932	34.4
95.08593	44.8
97.06489	8.0
97.10159	8.5
98.97584	22.4
105.07028	20.2
107.04953	7.5
107.08587	26.8
109.06512	18.1
109.10084	5.0
116.98612	30.0
117.07008	23.6
119.08559	9.3
121.06498	9.7
125.09605	8.9
131.08533	9.8
133.10194	7.7
134.99648	23.1
135.08087	4.4
136.11928	5.2
141.06990	5.2
145.10176	8.2
159.11757	6.8
163.07539	5.7
205.06546	5.5
211.11183	5.9
223.09633	6.2
223.13275	25.3
233.15240	5.6
237.09024	10.4
261.14832	5.2
265.08655	6.5
265.13928	6.3
274.97421	9.4
290.27594	5.1
292.98419	7.3
297.11499	5.3
297.16797	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	297.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	0.6
54.03458	4.8
56.05020	3.1
58.06553	0.7
60.04525	0.9
68.05020	17.1
70.02927	2.0
70.06575	1.7
71.04977	8.4
74.02422	11.9
80.04992	1.0
81.03388	1.0
83.06098	6.8
84.04488	1.4
84.08119	1.5
85.02872	1.8
86.06051	0.9
88.03967	19.7
90.95832	0.8
91.05460	5.1
98.06034	4.7
99.04427	23.8
100.03966	6.6
103.05441	3.7
107.04927	3.5
115.05409	4.8
117.05462	15.6
117.07042	0.8
118.06512	3.7
119.04925	7.2
120.08086	7.2
121.06483	7.7
122.03563	0.9
122.06054	0.9
123.04404	0.8
123.06793	5.0
124.05145	1.2
129.06569	19.0
130.06474	1.2
131.04906	10.7
132.08075	17.1
135.06496	1.5
136.06177	5.2
136.07536	2.0
137.05951	66.0
138.05476	6.7
142.07352	1.8
143.04869	8.4
144.06548	3.0
144.08064	4.2
145.06525	1.5
146.05986	6.6
147.04404	3.2
147.06767	1.6
148.07565	11.5
149.05943	9.8
149.08342	3.4
150.05537	1.8
150.06714	0.9
151.06259	4.1
151.07529	15.8
154.08580	6.7
155.53650	0.8
158.05949	6.7
159.06691	0.9
160.05382	5.9
160.07535	46.1
161.05968	7.0
161.08318	7.6
162.09103	1.7
163.07507	5.3
164.06996	1.7
165.07819	20.9
172.07529	11.4
172.08794	1.0
173.08347	3.7
174.09154	5.6
175.06224	3.7
175.07539	10.2
176.07005	12.8
177.07805	11.0
178.08606	8.8
179.06993	1.1
179.09361	16.7
180.10150	67.0
181.04921	4.0
189.07802	3.7
190.08591	27.6
191.09360	4.4
192.10155	100.0
200.90884	0.9
204.10136	15.9
206.11707	3.1
222.11203	32.8
224.09138	62.5
226.16791	0.9
235.14340	1.3
236.09222	3.8
247.10770	3.2
254.10164	35.4
267.13318	46.9
279.13409	7.9
297.14395	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02359	1.7
54.03449	4.4
54.48338	1.5
56.05003	1.8
57.03427	2.0
68.05012	17.3
68.20483	1.6
69.03408	3.7
70.06568	4.5
71.04967	4.3
74.02399	13.4
80.04983	2.2
81.63659	1.9
83.06072	8.0
84.08119	9.5
84.13979	1.9
84.18930	1.8
85.02879	3.3
86.06031	1.8
87.04423	3.0
88.03973	22.7
91.05458	2.9
98.06032	3.0
99.04435	18.7
99.08036	2.2
100.03938	7.4
103.05428	3.4
104.07088	4.0
107.04941	2.9
115.05424	10.0
117.05460	7.9
118.06548	3.5
119.04914	10.1
120.08056	8.6
121.06472	11.7
123.06762	11.6
129.06575	20.5
131.04884	10.4
132.08055	22.4
135.37885	2.0
136.06204	3.2
136.07532	4.3
137.05946	49.6
138.05476	10.9
142.07344	2.4
143.04877	4.1
144.06505	4.9
144.07996	2.1
146.05981	4.2
147.04337	3.4
147.06720	2.1
148.07538	11.8
149.05981	16.0
149.08305	2.1
150.05432	2.4
151.06404	2.7
151.07454	14.1
154.08597	17.3
158.05949	3.1
160.05167	8.4
160.07544	45.5
161.05899	3.9
161.08322	11.4
162.05508	2.2
163.07550	2.6
164.07047	4.7
165.07802	20.6
172.07484	13.9
173.08360	3.4
175.06200	3.9
175.07507	11.4
175.95903	2.1
176.07036	11.1
177.07773	8.5
178.08649	9.6
179.06999	2.8
179.09358	18.4
180.10153	83.2
181.04866	2.0
190.08609	29.9
191.09361	3.1
192.10159	100.0
204.10228	18.8
222.11214	30.7
224.09152	57.5
235.14404	2.2
247.10649	4.1
254.10121	31.6
267.13306	49.7
279.13272	4.2
297.14392	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48125	0.9
53.59917	0.9
56.96289	1.4
56.96561	41.2
62.67664	1.0
63.59591	0.8
69.03391	1.1
70.06566	0.9
71.95243	1.7
72.83733	1.3
85.02847	1.6
98.97572	77.7
107.04942	7.4
116.98611	73.0
116.99454	2.1
120.44531	0.9
131.04886	1.1
134.99643	40.6
137.05989	7.3
153.00647	5.5
158.01250	1.1
160.99063	1.9
161.99841	1.6
179.00137	25.0
180.00912	27.2
193.01718	1.7
195.03285	2.0
197.01213	65.3
198.01984	100.0
211.02776	13.2
212.03461	1.3
213.04332	32.8
215.02283	16.7
216.03052	36.0
222.01852	1.2
226.01442	8.3
229.03842	1.7
231.05389	18.7
237.04306	15.8
240.03032	24.6
241.03841	7.2
244.02463	5.0
255.05354	49.1
258.04074	24.4
259.04752	2.2
273.06470	33.0
276.05008	1.1
296.18359	1.5
297.06396	71.6
315.07507	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	296.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
54.81304	1.7
55.01871	47.5
55.05509	32.8
57.03426	11.1
57.07058	2.4
57.61164	1.0
67.05495	62.0
69.07057	82.0
70.84642	1.3
71.04986	3.1
79.05476	77.4
81.03412	1.6
81.07042	71.1
83.04977	16.4
83.08595	9.8
91.05462	18.4
92.08699	2.4
93.07027	100.0
95.04935	8.7
95.08587	71.7
96.40263	1.4
97.06507	24.4
97.10168	2.6
105.07027	7.9
107.04957	1.9
107.08580	29.9
109.10132	5.8
111.11684	2.1
119.08536	5.6
119.75109	1.5
121.10120	43.9
123.11702	3.2
125.09622	1.5
131.08557	7.1
133.10144	2.1
135.11690	6.8
137.09569	1.8
139.11162	17.2
145.10130	1.9
149.09557	2.3
153.12733	7.5
167.10635	9.1
185.11710	8.9
203.38678	1.4
233.22690	1.7
261.18576	2.5
261.21954	1.6
279.23297	10.8
296.25769	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00290	2.0
53.03940	24.6
55.01856	9.1
55.05271	1.7
55.05508	38.7
57.03420	2.8
57.07073	16.7
59.04977	1.2
67.05143	2.9
67.05493	81.7
68.73305	1.2
68.78146	1.4
69.03424	2.3
69.07056	57.9
71.04978	3.0
71.08602	5.4
71.20786	1.4
76.68150	1.2
79.05476	52.5
81.03401	100.0
81.07042	68.5
83.04976	24.2
83.08593	13.6
85.06525	2.1
85.10165	11.2
90.23112	1.3
91.05461	31.3
93.07027	48.9
95.04948	52.8
95.08589	27.6
97.06493	3.4
97.10132	7.3
99.08086	2.0
105.07011	26.6
107.04949	2.2
107.08576	29.7
109.06511	10.3
109.10135	16.9
111.08054	2.9
113.09631	8.9
117.07000	2.6
119.08555	11.3
121.06500	2.7
121.10103	12.1
123.11660	6.3
125.09608	9.1
129.06972	3.3
131.08525	3.4
133.10092	17.3
135.08037	2.9
135.11656	8.0
140.59094	1.6
143.08578	2.4
145.10136	2.3
147.11646	10.6
149.09584	1.5
149.13219	3.0
151.11162	33.2
153.09077	2.2
153.12764	2.0
157.10022	1.9
161.13232	9.4
163.14851	1.7
165.12698	16.8
168.71906	1.5
175.11211	1.6
175.14738	2.4
179.14343	7.0
207.13809	2.6
231.21007	8.6
241.19543	2.4
249.22116	2.8
259.20532	3.2
277.21567	83.2
295.22580	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	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
51.74192	3.2
53.03928	3.1
54.92241	2.7
55.01863	36.6
55.05503	69.6
56.99887	3.4
57.03432	6.0
57.07061	7.8
61.77227	2.9
67.05491	82.2
67.71513	3.1
69.07042	37.2
70.82601	3.4
71.04986	6.1
71.08610	26.2
79.05470	52.8
81.03394	17.3
81.07039	100.0
83.04975	24.5
83.08590	26.7
85.06540	4.6
85.10139	3.3
91.05467	42.8
92.08686	4.1
93.07013	58.0
95.04959	24.2
95.08578	53.1
97.06493	12.9
97.10134	5.5
99.08044	11.9
99.76956	3.3
105.07007	33.7
106.67274	3.4
107.08572	22.0
109.06525	5.7
109.10133	15.2
111.08070	28.9
113.09648	5.7
119.08544	26.5
121.10114	24.9
123.11685	18.0
129.06985	4.3
133.10121	19.0
135.11668	8.3
139.11153	4.3
145.10127	7.6
147.11674	29.2
147.67926	3.2
149.13258	7.5
151.11188	20.8
153.85622	3.0
161.13274	5.1
163.11179	4.9
165.01753	4.4
165.12724	28.6
179.14218	5.3
179.35387	3.3
195.81587	3.6
259.20435	6.8
277.21509	82.5
278.42352	3.6
295.22534	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00284	6.6
53.03926	8.9
55.01870	8.5
55.05308	3.8
55.05511	63.7
57.03426	8.6
57.07067	52.8
64.56468	4.5
67.05492	62.4
69.03407	6.0
69.07066	50.1
71.29131	4.4
79.05478	53.4
81.03391	61.0
81.07040	68.7
83.04991	32.0
83.08613	18.6
85.10165	100.0
90.18082	4.4
91.05452	51.9
92.08719	10.4
93.07009	47.7
95.04955	35.3
95.08596	45.7
97.06502	8.9
97.10132	6.6
105.07038	32.3
107.04943	31.3
107.08593	19.7
109.06510	8.9
109.10106	18.3
113.09616	91.0
115.89809	4.8
119.08520	11.2
121.10129	8.1
131.08592	4.5
133.10040	5.6
140.69005	4.6
147.11664	17.8
149.09601	32.3
151.11160	5.3
161.13127	5.3
163.11214	18.6
164.20526	4.6
165.12729	75.1
171.11723	5.6
175.11171	6.9
259.20529	5.9
277.21567	63.9
295.22586	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.49054	2.6
53.03957	3.9
55.01868	3.2
55.05506	36.1
57.07047	6.0
58.36507	2.9
61.41326	3.0
64.10509	3.1
67.05494	62.9
69.07059	19.8
71.08616	68.9
79.05477	68.0
81.03410	17.7
81.07037	68.4
83.04970	20.2
83.08601	5.8
91.05467	44.4
93.07021	90.3
95.04954	19.9
95.08584	61.5
97.06551	14.1
99.08076	26.6
105.07008	24.6
107.04979	4.4
107.08598	32.2
109.10146	7.3
119.08578	15.7
121.10121	37.3
133.10095	8.3
135.11688	31.1
147.11725	3.6
151.11147	22.5
160.78918	3.0
161.13217	6.8
167.10553	4.0
179.14275	100.0
209.17468	4.1
229.30554	4.0
277.21552	41.7
280.54138	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	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00303	7.5
53.03938	4.3
55.01865	5.0
55.05508	60.8
57.03421	6.2
57.07068	65.3
60.17320	2.7
60.81441	2.5
61.57534	2.6
64.33189	2.6
67.05499	57.4
68.36914	2.6
69.07055	43.4
71.04975	5.2
71.08623	4.8
73.18753	3.3
79.05473	45.9
81.03398	38.0
81.07039	54.2
82.39365	3.0
83.04532	3.0
83.04961	29.9
83.08612	13.5
83.30345	2.8
85.06541	4.1
85.10172	100.0
89.69303	2.9
91.05457	72.6
93.07028	51.4
95.04945	25.2
95.08582	54.7
97.06500	13.0
105.07008	43.3
107.04937	44.5
107.08581	26.1
109.10133	3.9
113.09621	91.4
117.07034	4.7
119.04917	6.6
119.08564	19.0
121.10084	5.6
123.08058	6.4
129.06972	7.1
131.08514	4.5
133.10069	13.1
135.11662	5.4
147.04398	21.6
147.11679	23.1
149.09595	19.7
149.13223	4.5
155.08333	3.0
157.10077	3.8
161.13226	14.0
163.11176	17.1
165.12714	70.1
171.11659	4.6
175.11086	13.0
181.12189	4.9
199.14731	3.6
221.15254	4.8
259.20593	5.6
277.21545	75.0
295.22552	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03933	4.0
54.81602	3.3
55.01859	12.9
55.05260	5.6
55.05504	67.1
57.03428	6.7
57.07066	59.6
67.05494	87.7
69.07062	37.9
77.69238	3.2
79.05468	55.7
81.03414	43.6
81.07036	80.1
83.04960	28.9
83.08628	13.1
85.10168	100.0
91.05457	55.9
93.07026	42.2
95.04952	36.2
95.08586	51.2
97.06530	15.2
97.10180	6.8
99.08096	4.4
100.23971	3.3
105.07011	36.8
107.04930	28.9
107.08585	28.8
109.06520	6.6
109.10152	21.0
111.08099	4.3
113.09628	67.7
117.06940	4.3
119.08572	21.9
121.10131	18.2
123.08056	8.7
124.14371	3.4
129.06987	6.9
131.08556	7.7
133.10110	17.3
145.10159	7.0
147.11652	15.0
149.09592	20.2
149.13271	4.6
151.11104	7.9
163.11185	7.2
165.12730	86.7
175.11259	5.5
181.12187	4.2
259.20554	6.0
277.21588	60.0
295.22632	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00312	1.2
53.03939	5.4
55.01868	10.5
55.05505	40.2
57.03426	6.5
57.07071	10.2
59.05027	1.5
65.03922	1.2
66.26173	1.0
67.05494	90.6
69.03382	1.7
69.07053	28.1
70.75602	1.1
71.04974	5.7
71.08607	2.5
73.12946	1.1
74.59032	1.3
76.42809	1.1
79.05476	59.7
81.03418	2.3
81.07038	100.0
83.04971	2.8
83.08595	18.6
85.06522	5.8
85.10166	1.5
88.76416	1.3
91.05463	52.4
92.63890	1.5
93.07026	79.3
95.04950	21.2
95.08585	67.9
97.06519	12.1
97.10163	2.0
98.00970	1.2
99.08070	2.3
103.05442	1.8
105.07013	50.4
107.04939	7.9
107.08582	28.9
109.06504	17.9
109.10133	27.5
111.08058	6.9
115.05427	1.5
117.06990	7.4
119.08561	35.4
121.06521	5.3
121.10107	14.7
123.08067	6.0
123.11692	8.4
126.44064	1.4
128.06201	2.0
129.06976	7.3
131.08560	9.0
133.10106	26.2
134.07182	1.6
135.08031	2.0
135.11687	8.5
137.09578	5.1
137.13226	1.8
143.08545	8.8
143.78555	1.3
145.10091	7.3
147.08040	1.3
147.11685	13.3
149.13208	9.2
151.11159	5.5
157.10097	7.4
159.11636	6.1
161.13217	13.2
163.11226	1.5
163.14812	3.0
165.03690	1.4
165.12759	1.4
171.11636	10.6
173.13298	1.3
175.11185	1.7
175.14813	6.4
179.14281	5.0
185.13216	2.6
189.12741	2.4
191.14250	2.6
207.13824	2.0
221.15376	2.4
231.21016	11.9
241.19456	7.0
249.22147	2.9
259.20554	8.2
277.21573	65.3
295.22659	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	295.2267
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03939	5.3
53.89689	2.1
55.01868	24.7
55.05509	75.9
57.03426	4.2
57.07064	11.9
60.33726	2.2
67.05495	100.0
69.03403	4.8
69.07052	36.1
71.04987	10.7
71.08625	27.1
71.08993	3.5
79.05480	68.0
81.03398	4.6
81.07040	90.3
83.04986	25.6
83.08611	31.8
91.05460	52.7
93.06480	2.9
93.07029	81.0
95.04929	21.4
95.08578	56.8
97.06508	19.7
97.10143	10.0
99.08088	16.7
100.32827	2.7
105.07014	44.8
107.02238	2.8
107.08575	32.7
109.06516	5.2
109.10139	16.1
111.08075	18.3
117.06998	10.8
119.08546	21.1
121.09377	2.6
121.10093	22.8
123.08043	6.0
123.11686	4.6
125.09617	11.1
129.07025	6.2
129.30156	2.4
131.08539	13.7
133.10126	22.9
135.08052	3.0
135.11699	15.9
137.09605	4.5
139.11183	10.4
147.11703	17.9
149.13263	11.4
151.11211	5.9
155.62654	2.6
157.10091	6.3
159.11717	3.9
161.13277	11.2
163.11154	3.0
164.96223	3.0
171.11732	2.9
175.11217	4.8
185.13208	2.6
193.12155	5.4
197.89777	2.7
211.07506	3.6
228.84138	3.0
241.19687	3.9
259.20566	3.3
277.21616	49.3
295.22717	39.6
301.05502	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	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01872	30.8
55.02085	3.3
55.05505	61.1
57.07083	5.5
67.05499	63.8
69.07057	52.1
70.61916	3.2
71.04990	6.8
79.05484	41.5
81.03418	4.7
81.07050	100.0
83.04986	9.5
83.08623	46.6
83.20754	3.9
91.05472	48.7
91.13848	3.6
93.07032	54.8
95.04947	7.2
95.08589	60.5
97.06523	25.9
99.08106	4.2
105.07021	33.9
107.08546	31.0
107.35270	4.4
109.06496	7.8
109.10157	16.5
111.08052	5.6
113.31027	4.3
117.07030	6.3
119.08562	23.5
121.10114	17.8
123.08052	7.5
124.88058	4.1
131.08594	5.1
133.10095	17.0
135.11711	9.3
138.17647	4.6
147.11684	23.6
149.13298	4.8
151.11179	5.6
156.52339	3.6
161.13292	5.3
165.12701	4.6
259.20444	15.5
277.21512	56.7
295.05942	6.9
295.22580	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
52.82431	0.9
53.00301	1.3
53.03944	8.5
55.01856	6.0
55.05504	34.4
57.03420	2.5
57.07066	16.2
57.43673	1.0
66.76426	0.9
67.05143	1.8
67.05492	40.7
69.03401	1.7
69.07051	26.3
71.04964	4.8
71.08607	1.6
79.05470	31.7
81.03397	32.5
81.07035	39.4
83.04964	16.3
83.08601	12.0
84.16294	1.1
85.06524	1.6
85.10175	20.9
91.05458	13.5
93.07025	29.2
93.25320	1.1
95.04953	26.6
95.08581	23.6
96.69376	1.0
97.06511	6.6
97.10132	8.0
100.07732	1.2
105.07011	15.8
107.04937	2.7
107.08568	14.1
109.06497	9.2
109.10160	11.0
111.03197	1.0
111.08039	2.0
113.09599	12.7
117.06960	1.9
119.08582	9.2
121.10103	7.9
123.08033	4.3
123.11688	2.5
125.09602	4.7
129.06972	2.8
131.08574	1.8
132.30548	1.4
133.10101	7.6
135.11633	2.5
145.10162	1.8
147.11639	5.5
149.09589	8.0
151.11153	8.0
161.13217	2.5
163.11116	1.3
165.12729	35.2
179.14348	1.5
201.18245	1.0
249.21970	1.7
277.21576	40.0
295.22629	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	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	4.9
55.01859	8.1
55.05501	93.4
55.82974	4.1
57.03421	8.7
57.07057	6.6
57.35581	3.9
67.05487	100.0
69.07048	33.7
70.49113	5.6
71.08613	36.7
75.18810	5.1
79.05476	63.4
81.03393	10.4
81.07031	82.8
83.04961	9.9
83.08605	37.5
91.05452	44.8
92.08639	10.2
93.07034	66.4
95.04952	11.2
95.08577	52.4
96.72105	6.1
97.06491	19.5
97.10130	19.9
99.08074	8.0
101.64204	4.7
102.99219	5.3
105.07014	36.0
107.08568	29.6
107.98702	5.1
109.10139	21.0
111.08025	10.7
119.08541	21.7
121.10105	22.2
123.07992	5.7
125.09601	12.1
131.08502	8.9
133.10127	24.8
135.11693	19.3
147.11665	9.5
151.11154	27.5
163.11098	5.5
186.56981	5.6
242.04707	6.1
277.21640	46.9
295.22668	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	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03925	6.2
55.01865	22.2
55.05265	4.5
55.05505	75.3
57.07050	7.4
63.92295	2.6
67.05495	100.0
69.03418	4.4
69.07056	36.6
71.04992	4.4
71.08617	73.9
71.41257	3.7
79.05475	61.3
81.03403	18.4
81.06595	4.9
81.07040	81.3
81.73883	3.2
83.04971	14.0
83.08598	36.7
85.06504	3.3
91.05463	47.0
92.32249	3.0
93.07019	69.2
95.04953	21.0
95.08588	53.6
97.06490	13.7
97.10157	29.7
99.08066	31.4
105.07014	36.4
107.08585	39.4
109.06535	5.4
109.10133	18.1
110.10567	3.2
111.08054	17.4
117.07019	6.4
119.08530	24.1
121.10088	27.0
123.08147	3.0
125.09618	17.9
129.07033	3.5
133.10088	23.7
135.11697	12.6
139.11147	3.1
145.10101	5.5
147.11646	17.1
149.13252	4.3
151.11165	49.0
161.13194	14.6
163.11131	22.5
165.12717	12.7
179.14249	7.3
189.11230	6.0
201.24417	3.2
235.86008	3.1
241.19440	4.5
259.20450	6.0
277.21570	69.1
295.22723	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	295.2265
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
52.31806	1.4
53.03934	6.0
55.01857	11.7
55.05505	100.0
57.03428	1.6
60.73486	1.4
62.29648	1.4
67.05495	38.9
69.07058	20.2
71.60657	1.5
72.00797	1.5
79.05466	22.6
81.03411	7.2
81.07034	45.3
81.41383	1.6
83.04963	7.4
83.08119	3.2
83.08603	85.6
83.09098	3.0
85.06535	1.9
91.05460	37.8
93.07027	28.2
93.16188	1.4
95.04933	9.9
95.08592	13.7
97.06513	9.8
97.10143	2.7
105.07015	28.1
107.08599	14.1
109.06480	6.7
109.10143	6.4
111.08071	13.9
117.07002	2.2
119.08556	18.4
121.10113	12.5
123.08023	1.8
123.11687	3.1
129.06979	10.7
131.08510	3.3
133.10098	24.5
135.11662	3.6
138.79446	1.6
139.11159	8.7
147.11642	19.2
149.09576	3.1
149.13266	12.7
151.11179	3.3
157.10057	12.4
159.11600	2.9
161.13284	1.8
165.12726	11.8
175.11099	9.5
223.52452	1.6
229.74232	1.5
234.33078	1.6
241.19373	2.6
259.20538	2.3
277.21509	34.2
295.22662	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	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80727	0.2
54.81390	0.2
55.05506	0.3
57.07054	0.7
58.02937	0.2
66.04727	0.2
67.05491	0.9
70.08086	0.2
71.08612	0.3
75.59893	0.2
79.05480	1.0
81.07037	2.8
82.07381	0.3
91.05470	0.9
91.26675	0.2
92.08720	0.2
94.04170	2.1
95.04949	0.4
105.06995	0.3
122.03626	8.3
123.11693	1.1
137.05963	100.0
138.06322	0.3
144.84851	0.2
158.15425	1.1
170.15378	1.0
170.68091	0.2
206.99179	0.2
212.83144	0.2
229.53032	0.2
244.17073	0.2
294.20935	0.3
312.39032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.80727	0.2
54.81390	0.2
55.05506	0.3
57.07054	0.7
58.02937	0.2
66.04727	0.2
67.05491	0.9
70.08086	0.2
71.08612	0.3
75.59893	0.2
79.05480	1.0
81.07037	2.8
82.07381	0.3
91.05470	0.9
91.26675	0.2
92.08720	0.2
94.04170	2.1
95.04949	0.4
105.06995	0.3
122.03626	8.3
123.11693	1.1
137.05963	100.0
138.06322	0.3
144.84851	0.2
158.15425	1.1
170.15378	1.0
170.68091	0.2
206.99179	0.2
212.83144	0.2
229.53032	0.2
244.17073	0.2
294.20935	0.3
312.39032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01313	1.9
53.03965	2.1
55.01865	6.2
55.05506	100.0
57.03432	17.8
58.99169	1.9
59.04992	98.0
67.05500	19.6
69.03407	4.3
69.07061	17.7
71.04976	22.1
79.05489	25.1
81.03414	3.7
81.07050	26.6
83.04955	11.7
83.08601	31.9
85.02890	12.3
85.06488	3.7
87.04453	54.3
89.06010	5.4
91.05450	14.1
93.07030	12.7
95.04914	2.8
95.08578	5.7
97.06541	4.7
97.10150	33.8
99.04436	5.6
105.06998	4.6
107.08584	16.4
109.06500	3.6
109.10148	12.2
119.08585	9.9
121.10104	4.3
125.09615	27.8
131.08554	3.6
133.10158	4.3
145.10124	5.5
158.61923	2.3
163.11227	4.2
173.11690	10.1
173.13065	2.4
224.84113	3.0
268.13748	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	294.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.5
55.01853	17.2
55.05502	28.7
56.05026	4.2
56.96552	3.2
57.03418	14.2
59.04981	4.0
60.04502	4.7
67.05203	4.2
67.05495	88.5
69.03395	14.8
69.07056	26.1
71.04957	21.2
75.92718	3.8
79.05473	83.8
81.03356	27.3
81.07029	67.5
83.04964	32.1
83.08592	8.6
85.02890	13.0
85.06522	22.2
91.05463	57.1
93.06489	5.5
93.07021	100.0
95.04946	27.8
95.08582	45.8
97.02893	39.6
97.06503	18.0
97.10133	6.4
98.97523	4.6
105.06991	22.3
106.76351	4.4
107.04926	23.2
107.08578	51.8
109.06480	5.3
109.10143	38.8
111.04433	31.6
111.08041	8.0
117.07005	8.4
119.08544	22.2
121.06497	7.1
121.10120	70.8
123.08042	8.6
123.11617	3.9
131.08549	38.1
135.04352	8.8
135.08101	3.9
135.11642	27.3
137.09547	12.9
139.11134	4.1
145.10057	32.9
147.08043	5.4
149.09607	25.7
163.11156	26.0
167.10619	18.4
172.13318	4.9
173.09584	18.5
173.11714	22.5
191.10655	37.8
199.13210	5.3
209.11723	99.0
227.12752	98.4
241.14351	5.5
244.15399	7.8
265.89563	3.4
267.20038	3.7
274.07706	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	294.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
54.23214	1.1
55.01861	10.1
55.05507	28.3
56.05031	2.7
57.03444	10.4
60.04502	2.6
62.20748	1.3
62.49352	1.2
65.03947	2.0
67.05495	60.5
69.03411	9.0
69.06767	1.4
69.07064	23.6
69.31593	1.2
71.01340	2.5
71.04984	16.2
73.06546	1.3
74.93012	1.3
75.04434	1.5
79.05476	61.4
81.03409	10.8
81.06602	2.3
81.07043	46.4
81.88880	1.3
83.04967	22.1
83.08596	8.8
84.04475	1.5
85.02877	7.8
85.06524	18.9
91.05458	36.5
92.09230	1.6
93.07030	64.2
95.04942	21.9
95.08581	24.9
96.04458	2.1
97.02863	19.9
97.06515	16.1
97.10150	5.4
98.97514	2.1
99.04433	3.1
105.07012	18.2
107.04937	20.8
107.08578	38.1
109.06494	6.0
109.10141	21.2
111.04438	30.5
111.08038	2.3
115.03900	1.8
117.06986	13.1
119.08566	21.7
121.06473	7.3
121.10120	63.4
123.04409	2.0
123.08043	7.6
123.11642	1.8
125.05927	6.2
129.06973	6.1
130.07794	2.0
131.08548	25.3
133.10072	2.9
135.07997	5.4
135.11673	16.6
137.09586	7.9
139.11160	16.5
145.06497	1.9
145.10114	23.9
147.08012	7.2
149.09621	19.9
154.12292	1.8
155.08542	3.0
163.07564	1.4
163.11157	23.4
167.10670	10.4
173.09576	10.9
173.11743	11.2
181.12219	6.1
185.11719	3.2
187.13222	3.1
191.10649	42.7
191.12357	1.9
199.13283	8.7
203.12782	5.9
207.90331	1.4
208.13358	1.7
209.11707	100.0
227.12733	24.2
241.14334	8.2
244.15466	5.7
259.04834	1.3
262.16418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.05504	35.3
56.41432	0.9
56.59612	1.0
57.03422	6.9
59.04990	100.0
61.95421	0.9
67.05486	6.7
69.03411	1.7
69.07050	6.6
71.04978	9.6
71.27482	0.9
79.05476	6.0
81.07056	7.4
83.04969	2.2
83.08588	9.8
85.02892	4.0
87.04452	29.3
89.06013	1.6
91.05469	1.9
93.07018	2.0
95.08600	1.0
97.10145	16.2
98.97581	1.0
99.04439	4.8
107.08591	5.2
109.10151	1.1
110.94510	1.0
121.10201	1.0
125.09606	7.8
173.11731	4.7
198.95749	1.0
226.12483	1.4
253.46330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.3
53.03926	6.0
55.01871	11.8
55.02105	1.8
55.05503	100.0
56.96535	1.5
57.03233	1.0
57.03427	17.8
59.04990	60.3
66.72472	1.4
67.05480	19.6
68.59493	1.2
69.03404	8.7
69.07059	16.3
71.04971	30.5
72.24964	1.2
75.91534	1.1
79.05475	20.7
81.03394	7.2
81.07037	24.3
83.04935	7.1
83.08598	40.3
85.02884	19.1
85.06517	1.8
87.04443	61.2
89.06010	12.0
91.05435	7.0
91.45977	1.5
93.07017	2.9
95.08571	7.5
97.02877	8.4
97.10143	63.1
98.97546	7.3
99.04440	16.6
105.07005	5.5
107.04888	2.0
107.08568	16.5
109.06548	1.3
109.10140	3.1
110.97634	1.6
111.04420	2.0
113.09645	2.0
116.98588	1.7
117.05410	3.3
117.06966	3.2
119.08579	2.3
121.06467	1.5
121.10097	1.7
125.09608	31.2
131.08574	2.9
133.06393	1.5
135.11679	2.2
137.05956	3.0
145.10135	2.2
146.84567	1.3
151.07620	1.5
153.12712	5.3
163.11163	9.6
173.09586	1.5
173.11708	7.0
181.12114	1.6
184.00334	2.0
197.01108	1.7
241.85040	1.5
273.08682	2.2
300.90015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94003	5.7
68.06447	5.8
143.61292	6.3
258.35391	6.7
293.06244	72.2
294.06589	100.0
294.59225	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	294.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
54.54299	2.8
55.01856	20.0
55.05509	46.5
56.96545	13.9
57.03414	13.7
59.04997	4.6
60.04509	7.7
67.05489	72.2
69.03420	32.6
69.07057	42.4
70.06591	3.6
71.01319	4.2
71.04972	44.9
76.56166	3.6
79.05476	89.4
81.03395	23.1
81.07039	72.0
83.04967	31.0
83.08611	6.9
85.02882	21.6
85.06532	22.4
87.04433	26.9
91.05467	62.1
93.07024	100.0
95.04954	48.8
95.08583	44.8
96.04455	3.5
97.02883	26.9
97.06516	31.1
97.10160	8.3
105.07012	25.8
107.04952	42.1
107.08573	50.1
109.06509	13.8
109.10137	20.7
111.04401	37.8
111.08069	6.5
116.98609	5.4
117.06987	27.3
119.08551	39.8
121.06450	14.8
121.10128	94.9
123.08057	4.7
125.05969	12.6
127.03899	3.8
129.06989	7.6
131.04921	5.7
131.08566	48.4
133.10139	4.8
135.08060	5.7
135.11662	40.1
137.05939	6.3
137.09596	6.4
139.11157	20.7
145.10135	50.1
147.08058	18.8
149.09637	36.9
153.12730	4.5
162.10275	4.1
163.11140	43.2
165.09053	4.4
167.10661	14.5
173.09583	31.8
181.12210	19.6
185.11702	6.2
191.10651	76.6
203.12781	12.7
208.13367	5.2
209.11708	99.9
226.14346	5.8
227.12744	75.5
241.14221	7.9
244.15327	8.0
294.20453	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.03131	3.2
52.48475	3.7
53.03941	9.3
54.31405	3.3
55.01859	7.6
55.05508	59.8
55.60415	3.8
56.96540	5.1
57.03424	24.1
57.07065	7.4
57.24016	3.6
59.04981	7.8
59.10823	3.4
63.85637	3.7
67.05492	67.9
69.03419	9.6
69.07050	27.2
69.07398	3.9
71.04982	20.2
75.26180	3.7
79.05479	45.8
81.03400	23.9
81.07044	68.8
83.04972	27.2
83.08613	7.9
85.06533	33.6
91.05460	50.6
92.08640	4.0
93.07019	100.0
95.04959	21.4
95.08579	76.1
97.06497	6.1
97.10178	7.9
101.05974	14.4
105.07008	88.2
107.04940	6.6
107.08586	85.8
109.02871	16.4
109.06512	27.5
109.10156	51.9
111.08076	21.6
113.09628	15.0
114.11721	4.0
114.40794	3.6
117.07005	19.1
118.57935	4.2
119.08568	84.6
121.06487	8.6
121.10135	62.4
123.08063	21.5
123.11677	15.0
125.09648	15.6
129.07040	7.7
131.08536	34.2
133.10117	67.1
134.50330	4.0
135.08032	35.1
135.11661	47.7
137.09604	72.4
143.08569	8.5
144.09323	6.2
145.10098	38.3
147.08031	15.6
147.11687	25.8
149.02332	37.9
149.09642	6.5
151.11180	4.6
151.48318	4.6
156.09375	6.5
157.10161	9.2
159.08018	5.5
159.11632	36.6
161.09567	14.3
163.11205	27.0
165.09163	7.4
169.10002	5.5
171.11668	6.8
173.13226	39.2
175.11147	5.7
175.14835	24.7
179.10924	4.4
183.11694	6.2
187.14764	6.6
191.14357	6.8
193.15820	6.8
197.13235	8.9
199.14839	22.0
201.12753	6.5
215.18060	5.4
217.15953	23.3
225.13795	4.7
239.17719	5.6
247.01636	4.0
257.18887	23.9
263.19995	5.1
275.20053	75.4
286.04565	5.6
293.17990	4.4
293.21011	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	2.8
55.01868	19.1
55.05269	2.7
55.05504	46.4
57.03399	2.5
57.07058	3.2
60.04586	1.7
60.30068	1.9
63.09712	1.8
67.05496	40.3
69.07058	21.2
71.04986	3.1
71.08606	8.0
74.76412	2.2
79.05473	52.7
79.05907	4.0
79.37148	2.0
81.03394	10.5
81.07037	76.7
82.07363	2.3
83.04951	12.3
83.08611	21.2
85.06577	1.9
91.05460	48.8
93.07018	30.3
95.04327	3.3
95.04948	100.0
95.08594	26.7
97.06499	8.7
97.10186	4.1
105.07001	27.7
107.04922	12.9
107.08578	28.3
109.06483	19.8
109.10131	9.6
111.04429	2.7
111.08041	3.3
117.06973	11.3
119.08511	17.0
121.06465	2.3
121.10104	13.6
123.08057	9.4
123.89781	1.8
125.09637	2.8
131.08549	9.4
133.10091	9.2
134.85672	1.9
135.08040	2.9
135.11688	4.3
137.09541	2.5
143.08516	2.4
145.10088	13.7
147.08083	2.2
147.11664	8.2
149.09599	12.8
153.09097	15.1
157.10033	2.7
159.11673	9.3
163.11165	19.7
165.12720	9.8
169.10065	2.7
173.13216	2.5
175.68808	2.0
195.13632	2.0
223.13290	14.6
275.19931	26.8
293.10831	8.6
293.21060	80.6
293.24222	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03940	4.8
55.01867	5.1
55.05508	19.0
57.03429	4.3
57.07064	1.7
67.05494	31.6
69.03407	1.1
69.07060	12.2
69.39307	0.9
71.04970	1.7
79.05475	40.8
81.03401	2.5
81.07040	100.0
83.04980	5.0
83.08612	6.2
85.06511	1.4
91.05463	22.3
93.07024	22.5
95.04945	20.6
95.08588	21.1
97.06491	1.8
97.10120	2.3
99.08032	1.3
105.07009	30.0
107.04927	11.5
107.08586	14.2
109.06492	16.1
109.10143	6.5
111.08090	1.1
117.07026	6.5
119.08559	18.2
121.06491	4.9
121.10085	8.9
123.08034	6.4
123.11695	2.0
125.09563	1.6
128.45895	1.0
129.06966	1.9
131.08556	8.1
133.10101	11.8
135.08035	3.7
135.11700	4.6
137.09587	4.5
145.10130	6.5
147.08105	2.2
147.11673	8.6
149.09595	4.6
151.11208	1.9
152.66808	1.1
157.10168	1.8
159.11649	2.0
161.13246	1.4
165.12793	1.3
171.11623	1.7
173.13231	2.1
185.23787	1.2
223.13275	1.3
232.78999	1.2
247.20500	2.4
257.18970	5.7
275.19995	33.2
293.20914	13.8
295.72379	1.2
300.74448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03936	2.8
53.08702	0.3
55.01865	0.4
55.05512	4.5
56.19918	0.3
60.45908	0.4
67.05488	9.0
69.07049	2.5
71.04971	1.9
79.05477	27.8
81.03384	1.6
81.07040	100.0
83.04999	1.3
83.08595	0.6
85.06548	0.6
90.06893	0.4
91.05463	10.8
93.07013	4.7
95.04929	3.3
95.08595	3.0
97.06507	1.8
99.08128	0.4
102.88161	0.4
105.07013	7.7
107.08595	3.3
109.06505	36.0
109.10155	2.7
111.08015	0.5
117.07021	1.0
119.08556	5.3
121.10155	0.8
123.08036	2.1
129.06985	0.5
131.08531	2.6
133.10127	7.4
135.11659	0.5
137.09581	0.7
145.10123	1.8
147.11653	6.1
149.09627	2.6
151.11203	1.6
156.47401	0.5
157.10118	1.9
159.11697	0.7
163.11220	0.6
165.12778	1.6
169.31703	0.4
170.08646	0.4
175.11156	2.2
193.12195	0.9
211.13373	0.5
239.17828	0.4
239.74658	0.4
247.20384	0.5
257.23221	0.4
257.92526	0.4
275.19998	13.8
293.21042	19.1
293.24182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.50038	0.7
53.03938	1.8
55.01869	6.0
55.05503	35.5
56.14487	0.7
57.03428	1.1
65.03929	1.0
67.05490	20.0
69.03422	1.1
69.07063	11.4
71.04987	1.8
78.38622	0.8
78.67942	0.9
79.05475	28.5
81.03397	9.4
81.07042	22.2
83.04969	6.6
83.08600	15.5
85.02911	1.8
85.06564	1.0
91.05465	13.7
93.07021	20.6
95.04950	100.0
95.08590	11.7
97.06532	1.5
97.10149	10.2
97.84155	0.7
105.07027	12.1
107.04936	10.9
107.08567	17.3
109.06506	7.2
109.10142	3.8
111.04436	1.1
111.08091	1.4
117.07005	6.4
119.08572	12.3
121.06505	4.9
121.10128	6.5
123.08095	3.8
125.09581	7.1
129.07022	0.8
129.83127	0.7
131.08575	9.4
131.32263	0.8
133.10066	5.5
135.08067	3.6
135.11702	3.2
141.09114	0.9
143.08478	0.8
145.10091	13.5
147.08032	3.5
147.11707	4.1
149.09599	25.4
153.09015	1.1
157.10077	0.9
159.11707	4.0
161.09526	0.9
161.13286	1.0
163.11157	19.2
173.13338	0.8
177.12761	3.1
187.11189	1.6
189.11226	4.4
205.12234	4.1
222.46400	0.8
223.13269	25.8
223.15361	1.4
229.19597	1.0
257.18954	3.8
275.20004	23.8
293.21066	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.30487	1.6
53.03927	13.5
54.06841	1.6
55.01872	40.9
55.05508	28.5
57.03404	3.9
58.15557	2.2
59.04983	2.4
65.03928	2.0
67.05495	78.3
69.03404	3.5
69.07057	86.5
70.31622	1.8
71.01363	1.9
71.04958	3.5
79.05475	60.7
81.03395	22.4
81.07040	80.8
83.04971	8.7
83.08609	10.7
85.06521	4.4
89.47362	2.0
91.05463	55.1
93.07030	60.4
95.04948	18.2
95.08010	3.3
95.08589	53.0
97.06509	31.6
97.10137	2.8
103.05440	2.5
105.07014	56.5
107.04949	27.1
107.08582	34.3
109.06486	14.7
109.10149	16.9
111.08074	3.7
113.09621	4.6
117.07018	24.9
119.08567	36.3
121.06471	9.5
121.10135	21.5
123.08023	14.1
123.11687	3.6
131.08533	28.6
133.06441	3.7
133.10121	25.4
135.08040	8.7
135.11662	14.2
137.09592	8.8
143.08562	3.8
145.06514	3.3
145.10085	19.1
147.07982	2.4
147.11662	16.6
149.01190	2.6
149.09613	31.8
149.13210	2.5
151.11165	4.9
157.10164	4.4
157.72868	2.1
159.11594	15.0
161.13239	9.8
163.11206	17.6
165.09068	9.5
169.10078	3.0
171.11635	3.5
173.13214	5.3
175.11050	3.0
177.12753	3.9
179.14236	2.5
187.11194	5.2
229.19496	3.1
247.20512	3.6
257.18900	10.9
275.20016	100.0
291.46097	2.3
293.17374	2.3
293.21014	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.62154	1.2
53.03917	1.6
55.01677	1.1
55.01863	19.1
55.05503	43.7
67.05494	24.0
69.07057	16.7
71.04967	3.1
71.08607	2.6
74.59669	1.1
79.05055	1.9
79.05473	32.8
80.36526	1.2
81.03398	10.7
81.06601	1.7
81.07040	32.0
83.04966	10.9
83.08589	15.5
91.05460	18.7
93.07026	29.3
95.04946	100.0
95.08576	14.8
96.88322	1.3
97.06516	6.2
97.10144	6.1
99.08041	1.4
105.07017	17.7
107.04947	12.2
107.08588	16.0
109.06517	10.4
109.10124	6.4
111.04392	5.2
111.08066	6.2
115.05343	1.8
117.06988	8.1
119.08540	8.5
120.53078	1.4
121.06507	12.9
121.10088	6.6
123.08067	3.3
123.11671	2.3
125.09582	1.7
129.06982	2.3
131.08543	7.8
133.10092	2.6
135.07996	3.4
135.11652	5.4
137.09625	1.8
145.10092	8.0
147.08081	2.5
147.11615	3.0
149.09581	14.0
151.11186	1.8
153.09103	6.0
159.11661	3.2
163.11113	15.6
165.12689	5.6
177.12755	2.2
187.11087	1.4
205.12259	1.7
223.13264	16.3
233.34517	1.5
265.29953	1.6
275.20047	17.7
293.21051	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03927	1.4
55.01876	5.7
55.05266	1.1
55.05502	19.1
57.07056	4.0
64.60687	0.6
65.03896	1.0
67.05152	1.6
67.05494	36.7
69.03407	1.8
69.07053	11.4
71.04974	0.9
73.27338	0.7
79.05476	33.8
81.03384	1.3
81.07041	32.6
83.04969	7.8
83.08602	9.5
85.06540	1.1
91.05462	32.7
93.07030	33.5
95.04942	11.9
95.08016	1.2
95.08591	26.9
97.06535	8.2
97.10143	4.8
99.08083	1.1
105.07013	44.6
107.04932	4.5
107.08576	27.6
109.06476	4.7
109.10138	15.8
111.08059	5.0
117.06987	17.7
119.07710	1.6
119.08559	34.6
121.06492	4.6
121.10110	19.9
123.08037	5.2
123.11642	3.2
125.09591	4.8
129.06956	3.2
131.08546	19.0
133.06488	1.4
133.10107	27.3
135.08000	6.2
135.11690	7.5
137.09599	7.4
139.11168	1.0
141.06953	1.7
143.08553	4.0
145.10114	23.5
147.08025	1.2
147.10623	0.9
147.11684	14.3
149.09587	23.0
149.10721	1.3
149.13246	3.2
151.11185	8.4
155.08525	3.7
157.10106	5.3
159.11662	12.0
161.09573	1.0
161.13231	4.1
163.11147	19.9
165.12698	5.6
169.10103	5.2
171.11649	4.1
173.09550	1.6
173.13214	5.1
175.11105	3.4
175.14748	1.3
177.12674	5.4
179.14250	1.2
183.11629	4.9
187.11052	1.5
187.14828	1.0
191.14243	3.8
197.13118	5.7
201.12738	1.2
211.14714	1.2
213.16318	1.9
215.17867	4.7
229.15938	0.8
229.19530	6.0
239.17941	12.5
247.20572	1.7
257.18951	21.4
262.56284	0.8
275.20007	100.0
293.17874	1.0
293.21072	9.0
293.24020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03931	12.0
55.01871	24.0
55.05506	45.6
57.03425	4.1
57.07069	17.4
62.78349	2.0
65.03926	2.7
67.05497	100.0
69.03425	8.2
69.07058	34.8
71.04977	11.7
79.05051	3.3
79.05480	63.3
81.03404	37.7
81.07040	92.0
83.04978	14.5
83.08590	16.9
85.02897	2.8
85.06536	10.8
91.05464	58.7
93.07033	56.1
93.71101	2.0
95.04953	52.5
95.08594	58.2
97.02874	3.6
97.06498	12.6
97.10159	2.5
99.08066	3.7
105.07022	59.5
107.04932	14.8
107.08583	39.4
109.06497	13.8
109.10152	36.4
111.04426	11.0
111.08054	2.6
117.06974	10.4
119.08558	34.1
121.06472	9.3
121.10124	21.4
123.04413	10.1
123.08081	17.0
123.11712	4.8
125.09575	3.3
129.06978	2.2
131.08571	22.5
132.70056	2.2
133.10127	47.0
135.11693	9.3
137.09612	48.0
145.10106	12.5
147.07942	2.8
147.11673	9.8
149.09604	12.0
151.11145	17.3
155.08504	2.8
159.11658	4.2
163.11150	7.8
165.09094	4.7
173.13206	2.5
177.12784	3.2
191.14314	3.0
247.20593	5.1
257.18933	3.5
275.20038	57.4
293.21036	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	36.6
55.01871	16.2
55.05504	100.0
59.52583	1.0
65.03925	2.0
67.05489	59.9
69.03387	1.3
69.07053	25.7
71.04977	4.9
77.27213	1.2
77.36664	1.2
79.05470	41.5
80.34755	1.3
81.03397	69.4
81.03876	2.3
81.07039	46.7
83.04958	11.4
83.08601	80.4
85.06521	1.3
91.05461	38.9
93.07018	38.5
95.01302	4.7
95.04947	31.0
95.08584	21.1
97.06516	6.6
97.10179	1.6
105.07011	25.4
107.04932	47.4
107.08566	17.9
109.06499	7.4
109.10155	4.8
111.08055	10.9
117.07007	17.8
119.08554	20.1
121.06489	7.1
121.10117	26.1
121.36548	1.5
123.00819	1.3
123.04419	1.6
123.08043	2.2
124.94110	1.2
128.06186	1.5
129.07011	7.1
131.04903	5.5
131.08527	13.6
133.10124	7.1
135.08051	2.3
135.11668	14.2
135.63414	1.5
141.06906	1.4
141.52846	1.2
143.08597	2.5
145.06493	10.1
145.10107	24.0
147.08073	1.7
147.11659	9.3
149.09593	13.7
155.08522	13.8
157.10078	1.6
157.63882	1.2
159.11693	8.0
161.13141	1.7
163.11136	26.3
165.12758	6.0
171.11726	1.4
173.09584	20.5
173.13307	1.9
175.11186	1.3
191.10710	5.7
229.69998	1.3
247.20560	1.6
257.18906	2.5
275.19971	24.7
293.21054	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.40898	1.6
53.03929	2.4
54.81267	1.5
55.01868	6.4
55.05507	28.3
57.03431	2.1
57.07061	2.6
59.38118	1.3
64.32948	1.4
65.03922	1.7
67.05494	100.0
67.05854	3.2
68.11342	1.3
68.95872	1.4
69.03420	1.4
69.07053	17.5
70.72572	1.3
71.04975	3.6
79.05476	61.2
81.07044	59.3
81.07529	2.0
83.04958	2.9
83.08613	6.4
86.98389	1.4
91.05463	82.7
92.08723	2.2
93.07027	41.7
95.04952	9.2
95.08589	43.2
97.06538	2.6
103.05453	3.3
105.07016	83.9
107.04933	3.0
107.08585	21.7
109.06519	6.2
109.10148	26.6
115.05458	1.5
117.07001	25.2
118.07761	1.5
119.08562	53.9
119.09394	2.4
121.06492	3.7
121.10128	12.4
123.08056	2.6
123.11713	1.8
129.07037	3.2
131.08540	27.2
131.09441	2.0
133.10115	48.5
135.07974	3.2
135.11734	2.9
137.09615	7.0
141.07103	1.8
143.08566	5.6
145.10109	14.3
147.11665	27.7
149.09616	10.8
155.08630	1.7
157.10153	1.8
159.11636	11.9
161.13274	6.4
163.11206	2.6
168.64018	1.6
169.10188	1.9
171.11565	2.1
173.13246	9.2
183.11635	1.8
187.14816	1.9
197.13284	3.1
236.24829	1.6
247.20451	3.2
257.18887	2.2
270.27814	1.5
275.20016	78.6
282.98654	1.4
293.68091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	2.5
55.01871	9.2
55.05505	26.7
56.46341	2.1
56.64633	2.2
56.80122	2.0
57.07075	3.3
67.05493	57.2
69.07052	39.8
71.04964	2.9
73.17223	2.5
79.05478	35.0
81.07043	53.9
83.04958	15.5
83.08585	4.9
91.05462	45.7
93.07022	47.8
95.04950	18.5
95.08597	30.7
97.06513	5.4
97.10140	3.5
102.43191	2.4
105.07030	46.5
107.04955	12.4
107.08582	26.8
109.06515	17.8
109.10146	15.0
117.06988	12.7
119.08559	29.3
121.06509	22.4
121.10129	8.9
123.08096	3.1
129.06982	4.0
131.08546	21.8
133.10138	24.4
135.08075	10.8
137.09579	3.3
144.96045	2.4
145.10120	14.1
147.08064	2.9
147.11685	13.3
149.01924	2.3
149.09650	3.9
151.11140	2.7
155.08592	3.8
157.10100	2.4
159.11650	12.6
161.13199	3.3
163.11156	11.3
173.13243	4.1
187.11113	3.3
207.13841	2.9
219.13782	8.7
240.24852	2.5
257.18951	14.8
275.20004	100.0
293.21133	25.1
303.44086	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.27354	1.0
52.45365	1.1
53.03940	36.1
55.01866	15.3
55.05500	27.3
57.03424	2.9
57.07066	1.2
65.03914	2.3
67.05146	3.0
67.05489	59.8
68.74160	1.3
69.03396	1.3
69.06711	2.0
69.07056	33.7
71.04969	2.2
75.68211	1.5
79.05478	51.9
81.03397	77.7
81.07036	79.6
83.04967	13.0
83.08592	7.4
84.95874	1.1
85.06550	1.7
91.05460	64.8
93.07024	45.8
95.01292	14.1
95.04935	20.4
95.08585	40.8
97.06534	10.9
103.05444	1.4
105.04507	1.6
105.07009	100.0
107.04938	32.9
107.08588	19.8
109.06492	8.6
109.10133	9.2
111.08049	1.3
115.05408	1.5
117.07009	20.8
119.08556	41.2
121.06465	8.0
121.10133	9.7
123.04342	1.6
123.08046	15.5
125.09599	1.9
129.06990	2.3
130.96382	1.3
131.08522	23.2
133.06473	1.9
133.10110	38.8
135.08083	5.0
135.11652	10.3
141.06958	5.8
143.08562	3.2
145.06454	8.6
145.10083	14.2
147.11659	13.6
149.09570	2.1
151.11137	1.5
157.10100	1.4
159.11644	13.3
163.11177	3.1
165.09140	1.7
169.10043	6.7
177.12770	2.4
179.14250	9.2
180.70842	1.5
183.11652	2.3
187.11128	5.6
205.12244	1.8
210.04726	1.2
214.66318	1.3
257.18945	2.6
275.20004	50.4
293.20920	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17344	2.3
57.10494	2.4
89.62759	2.1
92.09307	2.4
287.52753	2.6
293.06302	100.0
302.60953	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	293.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81006	0.3
56.96516	0.5
57.27660	0.4
61.60230	0.3
66.84886	0.3
67.05431	0.4
69.03380	0.4
69.07021	0.4
69.18272	0.3
70.06549	0.9
70.64830	0.3
72.08105	2.0
78.32748	0.4
81.07009	0.5
84.08081	1.6
84.32747	0.3
86.09644	0.6
91.05425	0.5
95.08547	0.8
98.97533	0.7
99.22512	0.4
108.08056	0.5
110.07104	0.5
119.04877	1.8
119.54645	0.4
126.18671	0.4
137.05957	0.6
140.06978	0.5
147.04391	10.7
147.14880	0.5
148.04729	0.6
157.68762	0.4
159.09091	0.7
160.41241	0.4
164.09412	9.1
165.10150	0.4
177.10199	9.5
178.10974	3.8
183.53114	0.4
189.06491	0.5
189.10190	4.1
190.10980	4.0
191.11732	3.0
201.13832	2.2
203.08136	3.2
203.11775	6.1
203.15384	0.7
204.10202	1.8
204.12558	4.4
205.09735	1.7
218.10506	0.9
219.14891	56.7
229.13377	1.7
231.14853	0.6
233.11227	0.5
246.10008	2.7
247.14362	100.0
257.12814	0.8
265.15414	1.9
275.13855	26.9
276.15982	1.5
284.13861	0.7
293.14914	48.8
293.18314	2.1
302.14828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1495
Annotation	Antibiotic RK 441
Peak:m/z	Relative Intensity
51.00888	0.5
53.97434	0.5
55.05492	0.8
56.96538	1.1
57.03417	3.1
58.99555	0.7
60.04508	0.9
61.66650	0.6
67.05484	0.6
69.03408	3.3
69.07045	3.1
70.06574	11.1
71.04961	1.0
72.08124	1.0
76.02185	1.0
81.03371	0.9
83.79247	0.6
84.04497	5.3
84.08121	0.9
85.02881	4.2
86.09700	8.9
91.05475	0.8
95.08578	4.3
95.10896	0.6
97.02876	1.5
98.97511	1.6
110.07130	4.0
116.01685	0.9
116.07082	5.4
116.98579	1.3
119.04948	0.8
143.02550	1.0
147.04361	5.1
160.23958	0.6
162.99112	0.7
164.09464	8.8
174.07840	1.4
176.10593	0.9
177.06631	1.0
177.10211	11.3
178.10930	4.3
180.20363	0.7
187.08679	3.0
188.09378	1.0
189.10213	3.9
190.07338	1.3
190.10924	3.1
191.08101	7.1
203.08124	2.6
203.11823	5.6
204.10411	0.6
204.12619	5.8
205.09747	1.2
206.10461	3.0
206.21120	0.7
217.09706	4.2
219.14903	84.1
229.13330	16.1
232.12045	22.5
247.14380	78.2
247.17067	1.2
250.08276	0.7
252.78905	0.8
257.12738	5.9
260.11554	4.7
275.13861	100.0
293.11755	3.1
293.14905	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
55.05499	27.1
57.07056	21.1
67.05486	21.3
69.07067	6.5
69.68650	4.2
79.05466	21.1
81.03383	19.2
81.07048	36.5
83.08614	19.2
85.06572	4.9
89.02799	4.1
91.05460	10.2
92.09228	6.4
93.07027	21.1
95.04950	100.0
95.08588	9.6
97.10135	4.6
105.07017	9.5
107.04939	7.9
107.08582	9.1
116.49368	4.1
117.07040	4.4
121.06513	7.9
121.10101	4.9
123.08013	4.5
125.78951	4.1
138.55623	5.1
149.09633	9.8
151.11198	31.6
153.05478	5.6
163.11119	10.0
165.00523	4.6
176.19107	3.9
177.12766	5.5
181.04807	4.6
185.88770	4.4
193.64801	4.3
205.12251	4.6
223.13144	7.6
237.11084	5.8
275.20068	17.6
293.17416	7.3
293.20935	34.0
313.60010	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	292.154
Annotation	Obscurolide A4
Peak:m/z	Relative Intensity
55.01856	1.6
55.05507	17.0
55.29741	0.9
60.13158	0.8
61.02910	7.7
67.05493	4.5
69.03415	1.4
69.07025	1.2
70.06569	1.1
71.04987	1.9
72.08136	6.1
73.06541	1.8
79.05488	1.6
81.03403	5.6
81.07027	1.7
83.04956	1.3
84.08136	2.4
85.02899	1.8
91.03956	3.8
91.05448	11.2
92.09298	2.3
93.07014	1.8
95.04959	2.5
95.08582	1.6
96.04490	1.8
98.06028	5.3
98.97565	1.3
102.09173	5.0
103.05473	1.4
105.07055	1.6
107.04946	14.7
107.08561	2.2
108.04462	18.9
109.06501	3.7
109.10126	1.3
111.08051	13.6
115.05447	8.3
117.06979	14.6
119.04956	1.7
119.08576	3.9
120.04471	1.4
120.08919	1.2
121.02806	0.9
122.06020	2.3
122.38937	1.0
123.04436	1.6
123.07992	1.8
131.04901	5.8
131.08554	9.2
133.06447	1.1
134.05981	1.3
137.05965	4.0
141.06995	4.2
143.08603	1.0
144.05679	7.8
145.06468	69.1
146.60742	1.0
147.04408	5.7
147.08040	1.1
151.07466	1.1
153.06973	5.7
155.05963	8.1
157.06476	11.5
158.07233	8.8
159.04407	1.9
159.08020	26.8
165.09109	4.0
169.07587	1.9
171.08012	6.6
173.05951	38.2
174.09084	1.9
174.11520	4.5
176.10690	1.0
177.05537	1.1
180.10231	2.2
185.05879	6.9
186.09106	5.7
194.11768	3.8
198.23820	1.0
200.07031	1.7
202.08580	9.7
203.15422	6.2
211.09637	9.8
214.08592	35.6
229.10686	2.4
231.14903	10.2
239.09067	1.8
256.13272	38.8
257.10144	14.2
257.13629	1.9
274.14328	100.0
291.19724	1.4
292.15497	4.4
292.19400	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1906
Annotation	Dendroxine
Peak:m/z	Relative Intensity
53.48377	0.1
55.05490	0.9
56.14085	0.1
56.96556	0.1
64.33128	0.2
65.03918	0.2
67.05481	0.7
69.07050	0.3
71.90044	0.2
81.07021	0.2
86.96559	0.2
91.05462	1.9
92.04988	6.3
93.05761	1.1
93.07056	0.3
94.06552	1.2
106.06532	2.1
109.10133	0.3
117.05726	2.2
118.06519	23.9
119.07307	3.9
120.08078	2.1
130.06485	1.9
131.07281	0.4
132.08047	2.7
133.08865	0.3
134.09599	0.7
144.08066	0.9
145.08807	0.2
146.09627	1.3
147.04411	0.2
148.11212	0.2
150.54639	0.2
154.81831	0.2
160.11137	0.4
162.09109	21.8
163.09891	4.4
164.10699	0.8
176.10632	0.9
202.15903	5.0
202.17781	0.2
230.15363	25.6
248.16405	1.2
274.18027	1.1
292.19012	100.0
293.19327	0.8
300.97931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.9
56.96560	49.3
67.05482	1.1
69.03401	0.8
71.04984	0.9
71.95251	5.2
72.96030	2.5
79.05479	5.6
81.03903	0.6
81.07030	4.5
83.04965	0.7
83.08606	3.1
91.05469	2.7
93.07037	3.9
95.04935	2.7
95.08598	5.2
96.05267	0.6
97.06509	1.0
105.07015	4.6
106.07354	0.7
107.04946	6.1
107.08591	3.2
108.05228	0.7
109.06513	1.4
111.08073	5.4
111.25494	0.7
112.08406	1.1
117.07012	1.2
119.08556	2.9
121.10133	0.6
123.01198	0.8
123.08089	5.3
124.08382	1.3
128.98579	1.1
129.38930	0.7
129.60023	0.6
131.08569	3.3
133.06496	1.0
133.10112	2.8
137.02757	2.8
141.02191	1.2
143.08571	0.7
145.01711	0.7
145.10136	2.6
147.04449	1.1
147.08008	1.1
147.11670	1.2
149.09589	0.9
151.07532	12.0
152.07903	4.7
155.03784	3.8
157.10211	1.0
159.03273	1.3
171.03239	1.0
173.13338	0.8
174.13484	0.7
185.04872	1.0
189.04315	0.8
189.12794	1.2
190.13069	1.0
191.05901	1.0
191.14275	3.7
192.14644	0.8
195.06874	2.3
197.08508	0.9
199.06393	4.6
203.05791	2.1
207.13805	5.7
208.14171	3.7
213.07956	33.7
217.07407	7.3
223.10056	0.9
225.07941	10.7
231.09006	60.0
233.15260	5.5
234.15634	4.6
239.09445	6.6
241.11241	0.9
243.08977	7.4
251.09416	9.5
257.10550	6.9
269.10553	100.0
287.11609	91.4
291.19507	6.1
292.12219	4.1
292.19791	5.8
310.13135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03940	1.5
53.55416	0.9
54.24044	0.8
55.01853	1.1
55.05504	8.4
57.03407	1.1
57.07052	0.7
57.49974	0.8
59.04988	1.9
62.72041	0.7
64.33295	0.8
67.05486	8.5
69.03421	3.7
69.07056	17.7
71.04971	4.7
78.57010	0.8
79.05476	18.7
81.07035	15.7
83.04957	5.1
83.08604	4.3
85.06506	1.6
91.05460	15.0
93.07027	46.7
95.04941	4.6
95.08591	12.3
97.06521	4.0
103.05540	1.4
105.07011	25.0
107.04958	6.1
107.08575	15.2
109.05813	1.6
109.06504	27.8
109.10143	1.8
111.08095	1.6
111.11688	4.7
117.06982	2.1
119.06184	0.9
119.08572	16.4
120.60126	0.8
121.06489	3.3
121.10124	75.4
123.08073	7.1
125.09605	1.6
128.06175	1.8
129.06973	4.5
130.07834	1.6
131.08556	9.7
133.06442	1.5
133.10136	4.7
135.08054	7.0
137.09575	1.5
139.11162	3.0
141.06969	1.0
142.07742	1.7
143.08521	5.9
145.10065	6.4
147.08076	1.6
147.11647	3.4
149.09610	20.8
151.07526	1.1
153.02115	1.2
155.08598	1.1
156.09358	3.9
157.10059	6.0
159.08055	1.3
159.11726	1.3
161.09589	1.2
167.08473	2.8
167.10645	100.0
169.10068	3.8
171.11664	5.0
172.12444	0.9
173.09584	3.4
173.13208	3.4
175.11156	1.8
181.10124	1.5
182.10921	3.9
183.08223	1.1
183.11655	1.4
186.10434	1.0
187.14757	1.0
189.12685	1.5
191.10620	3.2
191.14328	4.9
194.11075	1.2
195.11716	1.1
197.13293	6.1
199.11153	1.5
204.52022	1.1
211.14880	0.9
213.16306	1.0
215.14268	1.6
233.15303	8.5
255.17331	4.2
273.18491	9.7
291.19464	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	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03931	2.3
54.84053	1.0
55.01860	2.2
55.05510	29.0
57.03427	2.8
57.07073	17.8
59.33217	0.9
66.60722	1.0
67.05147	1.8
67.05496	41.7
69.07054	43.4
71.04975	2.3
71.08629	8.9
75.31101	1.6
79.05476	32.8
81.03416	9.7
81.07042	100.0
83.04980	1.6
83.08607	20.7
85.06527	1.4
85.10168	2.2
89.71702	1.3
91.05464	29.5
93.07025	50.7
95.04943	18.4
95.08591	90.7
97.06515	2.6
97.10156	11.1
99.08076	2.3
105.06369	2.0
105.07024	37.5
107.08585	40.2
108.93250	1.2
109.06489	10.3
109.10139	32.7
111.08091	2.8
111.11715	7.2
114.87263	1.2
117.06947	4.4
119.08581	24.7
121.06479	2.5
121.10120	23.6
123.08070	3.0
123.11690	15.6
125.13311	1.9
129.07051	1.4
131.08534	4.8
133.10118	19.4
133.41238	1.1
134.99579	1.2
135.08032	4.9
135.11682	22.7
137.09593	1.5
137.13251	5.7
143.08534	1.4
145.10091	2.9
147.04410	1.5
147.08041	1.5
147.11670	19.2
149.13248	14.2
151.07538	2.1
151.14803	2.2
157.10097	1.2
161.13226	7.8
163.14851	9.4
165.12708	2.8
175.14789	5.6
177.16408	6.7
189.16364	6.2
191.17870	1.9
202.30493	1.3
203.17978	4.6
217.19525	6.1
229.23553	1.6
247.24263	1.3
267.51791	1.2
273.18423	7.8
273.25693	27.7
291.19656	10.8
291.26791	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03940	7.5
55.01869	23.6
55.05510	60.0
57.03436	44.2
62.58381	2.7
65.03928	3.8
65.75579	2.8
67.05154	2.9
67.05500	72.1
69.07062	23.9
78.56481	3.3
79.05475	98.0
81.07040	79.0
83.04965	14.9
83.08592	17.0
85.06537	18.8
91.05459	100.0
92.09232	4.4
93.07024	67.1
95.04967	24.0
95.08575	34.7
97.10143	6.8
102.51957	3.0
103.05448	4.8
105.07015	82.7
107.04934	19.4
107.08582	41.2
109.06510	19.5
109.10126	6.1
111.08050	3.9
115.05431	7.0
116.06230	5.4
117.07004	81.1
119.08569	80.4
121.06467	16.5
121.10117	13.7
125.09579	4.8
128.06197	5.7
129.06993	26.9
130.07782	5.3
131.08542	67.8
133.06490	6.4
133.10129	24.9
135.08044	28.9
138.18527	3.0
141.06972	3.9
142.07697	4.8
143.08540	19.1
145.10106	62.7
147.08041	35.9
147.11703	5.1
149.09534	5.5
157.10100	22.5
159.08015	4.8
159.11671	15.3
161.09602	15.7
162.91573	3.2
163.00432	3.8
166.80827	3.2
169.10181	4.2
171.11548	5.4
173.13232	4.0
175.11185	4.5
185.13199	4.0
199.11024	3.6
217.15829	14.3
227.17816	5.3
245.18962	5.5
255.17360	4.5
273.18436	71.0
291.19482	88.3
296.45462	3.1
312.37448	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.92290	2.1
53.00304	1.8
53.03934	4.2
55.01860	10.0
55.05506	41.3
57.03424	2.3
57.07058	2.4
57.24759	1.7
67.05149	2.7
67.05490	51.3
69.03418	3.8
69.07050	33.4
71.04957	4.0
72.66706	2.2
74.49674	2.0
79.05474	60.3
79.97472	2.3
81.03412	4.5
81.07038	69.5
83.04963	9.7
83.08605	13.5
85.06531	9.3
91.05462	76.6
93.07024	58.7
95.04943	28.9
95.08582	27.4
97.06485	4.6
97.10142	8.8
103.05447	2.4
105.07008	65.9
107.04928	19.4
107.08580	25.8
109.06517	21.7
109.10133	12.1
115.05431	4.8
117.07008	32.1
119.04879	3.2
119.08565	41.9
121.06472	19.0
121.10102	14.4
123.08041	15.3
125.09595	3.6
128.06230	4.1
129.06961	20.7
130.07726	3.1
131.08553	35.3
133.06448	27.9
133.10110	23.2
135.08008	12.9
135.11700	3.8
135.67577	2.2
141.06985	3.7
142.07724	3.1
143.08501	23.3
145.06459	4.1
145.10118	26.9
147.08002	26.8
147.11676	10.7
149.09674	5.3
149.13226	2.5
151.11163	11.6
155.08548	5.2
156.09415	2.9
157.10083	16.8
159.08060	2.6
159.11691	5.1
161.09596	4.9
161.13211	10.1
163.11142	10.8
171.11621	23.6
173.09576	2.2
173.13275	3.2
175.11098	3.2
181.10092	2.9
185.09604	3.1
185.13240	3.8
187.11244	2.8
189.12663	22.1
195.11649	3.7
196.84328	2.6
199.11084	5.5
205.12241	2.8
211.14771	2.8
213.12798	3.1
217.12233	8.1
227.17920	5.4
237.16306	8.9
245.18909	9.1
249.14711	3.7
255.17397	13.0
267.20822	2.1
273.18430	37.5
291.19501	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.12296	3.0
53.03937	7.4
54.81637	2.8
55.01870	30.3
55.05507	55.9
57.03426	12.0
57.07042	3.1
57.11178	2.6
65.03926	4.3
67.05492	98.3
69.03394	11.5
69.07053	40.6
71.04979	5.9
79.05478	78.2
81.03402	15.9
81.07041	100.0
83.04962	15.6
83.08604	14.3
91.05467	83.8
92.64055	2.7
93.07030	76.5
95.04945	29.8
95.08593	44.0
97.06534	7.0
103.05444	3.5
105.06350	6.1
105.07008	79.4
107.04933	32.6
107.08576	46.5
109.06503	14.8
109.10152	32.6
111.04400	3.7
111.08084	16.8
117.07012	19.5
119.08537	36.2
119.09264	3.1
121.06483	25.6
121.10121	18.5
123.08043	4.7
128.06189	4.4
129.06987	15.7
130.07654	3.3
131.08556	29.4
133.06485	13.2
133.10114	43.1
135.08054	19.0
135.11703	8.0
137.05936	4.5
137.09564	5.0
139.07491	4.0
143.08524	14.9
145.10124	16.8
147.08069	14.7
147.11678	7.5
149.09625	20.9
151.11162	16.3
157.10168	7.8
161.09581	15.1
171.11668	5.5
175.11183	4.0
203.14224	4.4
227.17899	4.0
233.15408	5.5
245.18958	12.3
249.18428	20.2
258.85135	3.4
263.20023	4.4
273.18430	33.8
282.47586	3.3
290.04614	3.5
291.19525	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03947	4.4
54.05994	1.7
55.01858	7.5
55.05507	49.5
57.03426	4.4
65.03949	1.9
67.05493	60.0
69.03419	3.4
69.07052	32.5
71.04982	4.9
79.05477	73.9
81.07041	77.4
82.17123	2.0
83.04958	4.4
83.08609	11.9
89.85686	2.1
91.05463	100.0
92.09336	4.4
93.07026	85.0
95.04954	16.9
95.08586	34.3
97.06522	2.1
97.10144	9.5
101.25261	2.1
105.07019	66.5
107.05002	7.4
107.08575	38.5
109.06528	10.0
109.10163	8.1
111.08113	2.3
115.05462	9.9
116.06226	3.7
117.06996	46.6
119.08582	37.7
121.06497	11.4
121.10130	18.8
123.08021	2.5
123.11679	2.2
128.06227	20.1
129.07002	24.5
130.07718	16.0
131.08548	68.2
133.06462	4.2
133.10107	18.9
135.08070	8.2
135.11665	12.0
139.11194	2.0
141.06947	2.3
142.07756	3.6
143.08553	43.1
145.10100	63.1
147.08076	8.7
147.11708	4.6
149.09587	3.0
149.13252	2.9
151.07549	3.9
155.08521	3.0
157.10123	13.7
159.08011	2.7
159.11700	11.6
161.09605	9.4
163.11194	2.5
166.90405	2.2
169.10063	5.1
171.11700	8.9
175.11147	3.2
183.11760	2.4
192.25769	2.3
195.11673	5.1
199.14963	3.1
236.79425	2.1
237.16296	7.6
255.17421	3.8
273.18378	23.2
291.19559	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	291.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02335	0.7
53.03917	1.1
55.01851	1.7
55.05506	8.4
57.03418	1.2
57.07062	6.5
57.07288	0.7
59.04982	1.7
59.98359	0.6
62.97802	0.6
67.05490	10.4
69.03411	4.2
69.07038	3.5
70.06573	4.2
70.25811	0.6
71.04967	8.1
73.79123	0.7
79.05476	14.2
81.07047	12.9
83.04962	5.8
83.08586	4.9
84.64464	0.6
85.02896	1.1
85.06526	4.4
87.04437	1.2
88.07599	3.8
89.87595	0.7
91.05455	12.2
92.09249	0.7
93.07012	17.5
95.04948	10.8
95.08573	20.6
97.02827	0.8
97.06509	5.3
100.31172	0.8
102.09135	3.0
103.05435	0.7
105.07015	22.4
107.04945	9.4
107.08562	16.9
109.06499	18.6
109.10145	6.4
111.08057	26.4
113.09614	1.4
115.05423	1.2
117.06973	6.9
119.08561	22.9
121.06461	2.7
121.10116	9.1
122.07291	1.6
123.08041	46.5
125.09599	1.4
127.15233	0.8
128.06186	1.1
129.06970	4.5
130.07764	1.7
131.08553	13.1
133.06456	4.2
133.10095	12.5
135.08037	9.1
135.11658	5.8
137.09590	6.9
142.07739	4.4
143.08530	6.8
144.09311	3.5
145.10098	25.9
147.08018	6.1
147.11659	12.2
149.09601	5.9
151.07521	100.0
155.08511	1.5
155.10637	1.2
156.09283	5.8
157.10104	11.0
158.10881	1.2
159.08041	3.0
159.11655	11.2
161.09572	4.7
161.13202	3.2
163.11136	3.8
165.09094	0.9
167.08455	1.0
169.10141	1.7
170.10872	1.1
171.11685	8.7
172.12349	1.4
173.09573	3.0
173.13229	9.1
174.10390	4.2
175.11111	6.1
177.09132	1.4
177.12703	1.3
179.10663	3.1
182.10875	1.5
183.11769	1.0
185.13184	1.4
187.11124	1.8
187.14789	2.9
189.12700	27.9
191.10515	0.9
191.14253	5.9
192.11433	6.9
196.12486	1.2
197.11705	5.7
197.13281	3.5
203.14352	1.6
207.13759	49.2
213.16354	3.3
215.14301	7.6
217.12137	1.5
225.12720	0.8
226.87634	0.7
228.23148	5.9
229.15799	1.1
229.23431	1.7
231.17378	3.1
233.15314	15.7
250.29620	0.8
255.17282	3.0
273.18350	6.4
290.26785	6.4
291.19455	28.4
291.27194	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03930	3.0
53.42571	2.4
53.93518	2.7
54.16926	2.5
55.01627	2.4
55.01868	18.2
55.05308	2.5
55.05509	45.7
55.40737	2.7
57.03427	4.6
57.07071	22.5
58.06583	4.0
59.12733	2.6
67.05498	56.1
69.03421	5.2
69.07058	23.7
70.06582	40.4
71.05015	3.0
73.91470	2.8
76.43951	3.2
79.05482	79.7
81.03388	12.8
81.07047	100.0
83.04963	5.4
83.08599	17.1
88.07623	51.3
89.07958	3.8
91.05471	47.1
92.09332	5.9
93.07034	54.4
95.04943	42.7
95.08576	33.1
97.10152	17.8
102.09161	25.3
105.07025	42.5
107.04943	22.0
107.08587	29.9
109.06503	6.3
109.10151	12.3
115.05418	4.2
117.07007	33.4
119.08587	59.7
121.06500	27.8
121.10113	11.6
123.08051	20.4
129.07008	16.0
131.08534	23.0
133.06506	12.7
133.10072	4.6
135.08060	4.9
137.09578	3.7
143.08530	5.5
145.10080	24.3
147.08044	26.3
149.09656	6.9
153.09050	5.1
157.10075	6.5
159.11700	5.6
161.09624	12.1
163.11148	14.5
171.11580	3.6
185.13271	4.2
223.13161	2.9
225.18440	2.7
228.23222	61.2
229.23456	31.5
249.14755	14.0
273.18506	32.4
290.26901	69.4
291.19510	95.6
291.27103	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	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.00302	0.4
53.03926	2.0
55.01864	3.9
55.05504	19.8
57.03405	0.9
65.03919	0.5
67.05495	11.7
69.03413	3.1
69.07052	8.7
71.04966	1.5
79.05475	16.5
81.03389	1.5
81.07039	16.2
83.04961	2.5
83.08601	6.7
85.06490	0.6
86.09669	1.5
88.89346	0.3
91.05460	16.0
93.07021	12.4
94.04132	0.6
94.66534	0.3
95.04951	8.3
95.08566	8.0
97.02859	0.9
97.06509	0.7
97.10147	5.8
100.96712	0.3
103.05440	0.6
104.10727	1.6
105.03372	0.7
105.07014	15.6
107.04939	6.0
107.08568	7.8
109.06490	2.4
109.10117	2.0
115.05429	0.8
115.28699	0.4
116.06190	0.5
117.07002	7.1
119.04924	3.9
119.08555	10.5
120.05701	0.7
121.06463	4.8
121.10141	3.0
122.65527	0.4
123.08032	2.5
124.99982	1.7
125.09601	3.6
128.06190	0.8
129.07013	3.8
130.07753	1.9
131.08546	6.9
132.05711	0.5
133.06471	7.2
133.10088	2.1
134.07262	0.9
135.08037	2.6
137.09575	0.4
143.08565	3.1
145.06442	0.6
145.10083	4.9
147.08008	7.0
147.11661	1.6
148.08870	0.4
149.09586	1.6
157.10091	0.9
158.55344	0.9
159.07974	0.6
159.11707	0.6
161.09573	2.0
162.10344	3.1
163.11139	0.9
171.11655	0.6
175.09576	0.4
175.11107	1.5
181.02586	0.6
189.11208	0.8
201.00032	0.5
213.57568	0.4
223.13283	2.8
240.09969	1.5
245.18938	0.6
249.14812	2.5
255.17366	0.7
260.77988	0.5
261.14972	0.4
273.18469	7.3
286.91318	0.4
291.19479	100.0
301.20108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.10040	1.0
53.03938	2.2
55.01854	2.1
55.05511	18.6
57.07059	2.1
57.55571	1.0
59.04989	2.5
65.50362	1.0
67.05502	9.2
69.03416	5.4
69.07047	2.1
71.04980	10.4
71.61504	1.0
79.05474	25.2
79.05910	1.9
81.07043	12.2
83.04975	1.8
83.08610	17.5
85.02901	2.0
85.06522	2.0
90.53821	1.1
91.05473	11.1
93.07025	17.0
95.04933	8.8
95.08581	26.9
97.06499	10.4
105.07040	14.5
106.68234	1.1
107.04935	33.4
107.08572	17.4
108.05705	1.2
109.06532	8.7
109.10136	5.5
111.04472	1.3
111.08075	38.6
113.09610	1.8
117.07028	2.7
119.08549	15.8
121.06467	4.1
121.10161	11.3
122.07276	2.7
123.08044	52.8
123.11655	1.4
125.09571	2.1
129.07047	1.5
131.08557	10.8
133.06461	2.9
133.10114	15.8
135.08043	5.6
135.11713	1.2
136.27557	1.2
137.07236	1.1
137.09650	2.1
141.96320	1.2
142.07748	2.4
143.08565	2.4
145.10092	7.7
147.08054	6.2
147.11696	12.3
149.09610	13.5
151.07526	100.0
152.58073	1.1
155.10664	2.8
156.09338	2.5
157.10085	6.9
159.08049	1.4
161.09625	2.2
163.11147	2.5
169.10225	1.4
171.11661	6.0
173.13237	11.0
174.10443	2.0
175.11171	7.9
189.12718	25.6
191.14264	39.8
191.50854	1.1
192.11453	6.1
197.11703	6.4
197.44354	1.3
207.13776	53.4
211.13092	1.6
215.14320	3.0
217.12138	1.8
233.15332	66.7
249.18523	1.7
254.40730	1.3
269.10562	2.6
273.18481	6.6
287.11810	2.6
291.19501	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03926	3.0
53.68816	1.9
55.01852	3.3
55.05507	32.7
57.03411	6.4
57.07068	5.2
59.04985	3.0
67.05489	46.3
69.03410	11.4
69.07052	19.6
71.04963	10.9
78.31181	2.3
79.05502	22.5
79.05882	2.6
81.03383	3.8
81.07042	40.1
82.17575	2.5
83.04957	14.4
83.08629	2.8
85.02873	3.3
85.06538	46.4
91.05482	30.8
93.07018	44.6
95.04949	11.7
95.08012	4.4
95.08588	100.0
97.06494	12.2
99.08089	6.2
101.05973	2.5
103.05439	2.8
105.07020	52.6
107.04921	5.1
107.08582	23.2
109.06509	12.8
109.10145	14.8
111.08087	6.4
113.09628	28.2
117.06973	10.0
118.44132	2.5
119.04858	3.0
119.08560	38.1
121.06476	12.5
121.10121	40.2
123.08070	25.1
125.09619	12.7
128.06148	3.8
129.06975	10.2
130.07732	3.4
131.08546	27.0
133.06493	3.4
133.10133	28.6
135.08028	17.6
137.09581	17.2
141.09035	3.2
142.07742	4.7
143.08507	22.9
145.10086	28.8
147.08046	11.4
147.11676	11.5
149.09610	23.9
151.07578	2.4
151.11189	4.0
155.08499	6.3
156.09326	15.4
157.10088	18.9
159.08066	4.1
159.11655	14.8
161.09570	24.8
161.13194	11.9
163.11128	3.3
165.09090	19.1
169.10228	2.8
170.10698	2.7
171.11667	22.1
173.09608	9.2
173.13226	12.5
175.11172	10.8
177.08990	5.3
177.12572	4.1
179.10661	10.4
182.10779	2.9
183.07889	2.6
185.13295	5.4
187.11121	4.8
187.14745	6.4
189.12732	13.6
191.14180	5.1
197.13329	5.8
199.11121	6.2
203.14328	5.4
215.14276	12.8
217.12238	12.2
227.17989	10.1
231.17447	5.3
255.17413	15.1
273.18359	30.4
291.16519	3.2
291.19519	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.7
63.15282	0.4
67.05481	0.5
69.03397	0.7
71.04938	0.6
79.05453	0.8
81.07020	0.5
84.08114	2.3
85.21546	0.4
91.05424	1.2
93.07004	0.7
98.97563	0.4
102.99272	0.4
107.04895	0.6
107.08568	0.6
110.88084	0.5
111.04424	0.5
113.55867	0.5
116.98512	0.5
117.06960	0.9
119.04890	3.1
123.65467	0.5
131.05989	0.6
132.06779	0.7
135.08029	0.7
147.04387	15.2
151.07530	0.6
159.05469	1.1
160.09868	1.0
161.10828	0.5
170.08302	4.2
187.04955	5.9
188.09401	89.6
189.10228	7.1
198.07826	1.1
199.12140	1.2
201.10272	3.4
202.10941	5.2
204.10187	4.3
216.08923	5.1
217.13321	85.8
219.79199	0.5
227.11761	3.4
229.09753	1.0
230.10548	4.0
244.08394	7.6
245.12788	100.0
246.16956	0.6
255.11244	2.3
263.13882	1.0
272.58987	0.4
273.12268	37.1
274.14258	1.7
291.13327	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00635	0.7
52.93777	0.6
53.82933	0.9
55.05497	0.7
55.68485	0.6
56.53998	0.8
58.06548	0.8
60.04494	0.8
60.08152	100.0
61.78983	0.7
67.86585	0.7
70.06571	0.8
72.08131	4.0
79.05482	0.9
84.08131	11.4
86.09682	1.2
91.05460	3.5
93.76683	0.8
95.08590	1.3
98.97547	1.1
103.17913	0.9
115.05424	8.7
117.06936	1.3
118.06531	19.5
119.04935	8.7
129.64607	0.9
130.06505	4.3
132.08160	1.0
132.10153	1.5
135.51570	1.2
140.04901	7.3
142.06488	8.2
143.07388	1.1
144.08038	8.0
146.05980	34.4
147.04388	37.6
158.05983	83.5
168.04420	44.7
170.05977	41.1
172.03914	17.4
186.05469	36.9
187.86342	0.9
188.07043	12.7
188.09418	3.7
189.10223	1.5
190.04950	4.0
196.03850	1.0
199.12279	0.9
202.10986	1.2
204.10170	12.7
214.04955	43.1
217.13367	4.7
232.06001	35.3
245.12802	11.1
273.12354	4.5
273.15918	4.2
274.14316	3.4
291.13339	59.2
291.16547	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1338
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
55.05490	0.4
57.57619	0.6
60.08154	9.2
60.97701	0.4
62.93160	0.5
69.78902	0.5
72.08129	3.4
79.05459	0.6
81.07014	0.5
84.08132	8.6
84.18059	0.5
86.09665	0.5
91.05438	1.2
94.50684	0.5
98.38154	0.5
100.73221	0.5
111.37131	0.5
113.00951	0.5
118.06549	1.9
119.04916	7.7
123.69270	0.6
127.12334	0.7
140.04887	0.6
144.08115	0.7
146.05933	3.7
146.97586	0.5
147.04393	32.4
153.07109	0.5
158.05997	9.2
159.08066	0.7
160.09889	0.9
168.04422	4.7
170.05989	4.3
170.08318	4.6
186.05409	3.8
187.05032	7.2
188.09419	97.4
189.10199	6.0
198.07751	1.0
199.12227	0.9
201.10263	2.9
202.08826	0.7
202.10980	5.4
204.10188	8.6
214.03123	0.6
214.04988	2.7
214.08531	0.9
215.11795	0.9
216.08870	6.2
217.13336	87.2
227.11754	2.7
230.10413	3.8
232.05971	3.0
237.06696	0.6
244.08423	7.3
245.12804	100.0
255.11305	2.4
256.13254	3.5
263.13974	2.2
273.12299	37.3
273.15820	4.6
274.14343	2.5
291.13345	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
56.04766	0.9
56.05025	17.0
57.07063	16.1
58.06586	10.3
60.04514	1.8
60.82530	0.7
71.08604	5.3
71.11026	0.7
72.28291	0.7
74.06053	16.1
84.87769	0.7
86.06006	1.7
87.09834	0.8
88.07610	77.0
118.08626	11.3
122.08118	7.5
135.40918	0.8
137.06487	0.7
141.56776	0.8
173.22011	0.7
208.49683	0.8
242.24719	68.3
272.25882	1.5
290.26825	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	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.6
55.05494	0.5
56.05013	0.3
56.96550	0.4
57.07065	15.2
58.06582	0.6
62.21063	0.3
67.05504	0.4
68.05005	0.5
69.07053	0.5
69.43107	0.3
70.06573	26.4
71.08616	3.3
72.37925	0.3
79.05437	0.4
81.07030	0.4
84.08120	1.9
85.09703	0.3
85.10147	2.7
86.06016	0.6
86.09686	1.7
88.07610	27.7
91.05423	0.4
95.08591	0.3
95.15387	0.3
96.83351	0.3
102.09150	2.3
104.27911	0.3
106.08652	4.0
107.08609	0.3
109.10130	1.3
114.05112	0.3
114.09140	10.2
118.08634	2.5
132.10175	33.9
134.75397	0.4
150.11227	27.5
173.11700	0.4
176.14316	1.9
214.21666	2.7
223.13031	0.4
228.23233	2.5
228.25237	0.4
246.24216	10.2
259.37268	0.3
290.21301	2.8
290.26822	100.0
291.27148	0.4
304.13235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71363	0.2
54.21842	0.2
55.05509	0.4
57.07067	14.3
57.61068	0.3
58.06600	3.2
58.62875	0.2
60.04528	0.3
65.54978	0.2
68.05018	0.4
70.06577	32.1
71.08603	2.8
71.56743	0.3
72.08128	0.6
74.06044	0.4
77.28073	0.3
85.10164	1.9
86.09720	0.3
88.07613	39.8
95.89576	0.3
102.09161	25.6
132.10149	1.6
132.28137	0.3
146.11725	1.7
150.11172	0.5
153.54930	0.3
171.26236	0.3
184.20589	1.9
228.23189	73.0
272.25739	4.3
290.26834	100.0
309.75790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	60.5
57.07059	6.3
59.04997	69.2
67.05487	25.9
69.07077	9.2
76.55795	5.5
79.05473	7.0
81.07055	10.5
85.06532	100.0
91.05461	34.0
93.07050	40.0
95.04990	6.6
95.08564	42.8
105.07031	25.6
107.08565	8.7
111.08131	6.8
114.60774	5.5
117.06994	7.6
119.08585	25.9
121.10085	9.4
125.09621	43.2
131.08539	26.7
133.10063	19.1
142.07779	10.0
143.08577	14.5
145.10106	11.6
157.10136	28.9
159.11687	11.8
164.07076	6.3
169.10153	11.0
171.11670	14.1
173.13243	28.5
183.11665	26.1
191.96092	5.6
206.73436	5.9
209.13380	8.4
239.17960	11.6
243.21718	6.8
247.94260	6.2
259.16980	7.1
289.21683	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	290.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.01868	9.7
55.05504	10.0
56.80896	4.7
56.96572	8.4
57.03434	7.1
64.11946	5.3
67.05489	22.7
69.03414	41.1
69.07056	27.0
70.06575	8.4
72.04507	5.8
72.08141	13.3
79.05486	74.4
81.03379	10.6
81.07050	93.8
82.06586	8.7
82.80312	5.2
84.04485	6.1
84.08132	10.0
85.02908	45.6
86.09689	6.5
91.05458	45.8
92.09283	9.4
93.07050	31.4
95.01303	40.9
95.04952	39.7
95.08595	9.4
97.02895	6.6
97.06522	57.0
105.07021	23.4
107.04966	13.0
107.08586	9.5
109.06526	29.6
109.10143	7.1
111.08064	5.7
113.02354	8.4
119.04926	13.7
119.08588	14.2
120.08070	8.5
121.06497	23.5
123.08045	5.6
137.05995	22.7
139.03911	12.2
147.04416	13.5
147.08031	9.9
163.07549	28.1
165.09100	66.2
181.08556	10.0
188.09407	6.9
193.08627	31.1
210.14874	6.9
219.17302	6.2
228.15901	33.6
246.16911	7.1
255.08594	100.0
272.11423	6.9
272.18552	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50096	8.9
55.05501	39.1
57.07062	43.8
58.63832	7.6
59.04987	14.8
65.25424	8.1
67.05505	40.9
69.07060	64.7
79.05482	15.8
81.07041	55.5
83.04980	43.3
85.06541	19.2
91.05467	40.5
93.07012	68.4
95.04977	16.7
95.08585	100.0
97.06541	8.2
105.07028	43.3
107.08545	18.8
109.10172	19.1
117.06995	11.1
119.08564	96.5
121.10139	13.1
123.11668	32.7
128.99382	8.7
131.08574	43.4
133.10135	38.6
138.91118	8.5
143.08531	34.5
145.10121	50.5
147.11664	16.2
157.10146	13.3
158.10828	12.0
159.11633	20.6
161.13268	51.6
173.13243	38.4
175.14801	46.1
183.11708	13.1
215.17960	10.0
271.20477	10.7
289.21542	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	40.5
59.04995	59.7
67.05506	13.3
69.07044	5.2
69.23570	4.7
78.72157	4.7
79.05487	9.6
81.07045	6.6
85.06543	100.0
91.05473	33.3
92.32162	5.9
93.07028	39.8
95.04958	7.2
95.08595	36.5
99.08082	6.3
105.07034	26.5
107.08616	10.0
109.10170	9.1
119.08572	24.8
123.42783	5.2
125.09646	40.5
131.08571	21.7
131.42407	5.1
133.10143	23.8
142.07742	10.4
143.08575	11.7
145.10117	13.2
156.09328	7.7
157.10051	38.4
158.10931	6.5
159.11690	11.2
168.09399	8.1
169.10156	6.2
171.11644	10.5
173.13266	31.5
175.58734	5.5
183.11726	21.7
197.13303	9.3
239.17868	11.2
271.20758	6.1
271.78198	5.5
289.21625	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	289.1796
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
55.05501	11.1
57.03429	100.0
57.07041	2.7
57.14168	3.1
63.13636	2.5
64.33088	2.7
67.05484	12.0
69.07050	3.8
73.34887	2.4
79.05467	14.5
80.04357	2.4
81.07069	18.7
81.07470	2.7
86.98428	2.8
91.05489	23.0
93.07013	6.2
95.04945	2.8
95.08616	10.1
101.95907	2.8
103.05435	12.1
105.07021	29.4
107.08607	3.3
109.10159	4.9
115.05435	3.0
117.07027	22.0
119.08548	12.6
129.06979	13.0
131.08551	23.2
133.06456	4.8
133.10123	4.2
141.06918	4.7
143.08553	6.6
145.06470	5.9
145.10135	12.3
149.09602	3.9
155.08591	3.9
158.79173	2.8
159.07993	6.4
169.10194	2.7
173.09605	5.3
187.14772	11.3
197.13216	4.8
215.14288	58.2
219.80322	3.1
271.16861	23.1
289.17969	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	289.1795
Annotation	4-hydroxyestradiol
Peak:m/z	Relative Intensity
53.03944	1.4
53.71983	1.2
54.46370	1.6
55.01874	10.6
55.05507	70.2
57.03429	6.7
57.07061	12.4
58.98896	1.1
59.04985	2.2
59.87424	1.2
61.58440	1.2
65.70001	1.5
67.05491	20.8
69.03413	2.0
69.07047	9.8
70.06580	24.6
71.06908	2.0
71.08611	6.2
79.05474	30.0
80.81033	1.3
81.07037	24.5
81.63950	1.3
83.04984	3.1
83.08600	18.5
88.07615	50.9
89.07940	8.4
91.05470	15.1
93.07020	12.5
95.08569	3.6
97.10148	27.4
102.09180	1.5
105.07014	7.3
106.08648	63.4
106.69903	1.4
107.08483	16.2
109.10158	2.6
111.08037	1.5
115.05425	21.5
117.06999	100.0
119.08571	13.3
119.49551	1.3
125.09589	16.4
128.06180	2.2
129.07005	3.1
131.08565	8.2
135.08026	8.1
141.06981	3.2
141.36761	1.7
142.07753	3.4
143.08536	9.4
145.06456	60.8
145.10114	2.3
151.40639	1.6
153.09161	1.6
155.08568	2.8
157.10107	8.5
159.08060	3.1
169.10083	3.5
173.09668	1.7
183.11694	1.9
189.11169	3.3
225.16287	3.4
227.19994	7.9
228.20293	2.2
243.17287	2.2
253.15681	5.1
271.16876	73.8
288.25262	7.6
288.28864	9.1
289.17950	6.1
289.25638	5.7
289.29233	8.3
289.32162	1.7
314.19482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1796
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
51.92560	3.5
53.32776	2.9
53.74147	3.4
55.01862	18.5
55.05503	100.0
57.03429	6.5
57.07059	4.9
67.05493	29.2
69.07048	22.5
69.39870	3.1
69.94684	3.5
75.26730	4.0
79.05468	57.8
81.07027	49.0
82.07378	4.3
83.08594	35.7
91.05458	20.9
93.07037	9.8
95.08595	9.8
97.10136	38.5
105.07008	5.3
107.04941	6.2
107.08582	23.9
109.10107	5.6
115.05443	20.0
117.07007	77.5
119.08569	20.0
121.06469	3.7
125.09629	21.3
130.14619	3.7
131.08545	7.7
131.99458	3.9
133.46678	4.1
137.05966	4.9
137.76646	4.1
138.90958	3.8
143.08524	18.2
145.06471	87.8
145.10129	7.8
147.07999	7.1
149.09558	4.5
157.10162	5.8
157.18327	3.7
159.07991	4.6
161.09636	5.1
172.77299	4.6
189.11160	6.9
210.48012	4.0
266.12881	4.9
271.16833	68.4
284.14249	7.9
289.17914	28.1
296.64899	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01867	1.6
55.05495	1.0
56.96551	0.9
57.03435	1.1
60.55346	0.7
67.05492	4.9
69.03413	2.1
69.07061	1.2
70.06582	0.8
71.04972	1.2
79.05456	2.0
81.03398	27.2
81.07028	4.1
82.06570	1.0
83.04967	1.2
84.04486	1.0
84.79320	0.8
85.02904	1.4
86.09686	1.1
91.05457	6.6
93.07021	5.4
95.04920	1.9
95.08579	1.4
96.08105	1.7
97.02890	0.9
98.97556	3.7
99.04451	1.3
101.92850	0.9
105.07000	1.9
107.08584	1.4
109.06516	1.3
109.10152	1.2
109.98381	0.9
110.06023	9.0
110.09657	1.3
116.98610	3.6
117.57927	0.9
119.04947	1.1
119.08537	5.8
121.06487	1.0
121.10148	1.7
122.06003	20.0
123.06783	5.3
123.07998	1.1
124.07562	26.4
127.03847	1.4
128.98499	1.1
132.01724	1.0
133.10132	1.4
134.99623	0.9
135.04399	1.0
137.05878	1.4
137.09592	3.5
138.09120	100.0
140.10678	7.4
145.10139	1.1
147.04430	1.2
147.08052	1.4
148.07564	1.3
149.08372	3.5
150.05490	43.0
150.51952	0.9
152.07047	87.6
165.09088	6.1
173.10745	1.0
174.09132	5.3
177.00687	1.4
188.10663	1.2
198.12767	1.2
213.10155	1.4
214.10973	1.7
215.11797	1.7
215.15421	13.1
216.13812	22.6
226.12227	4.8
227.15457	2.2
228.12401	1.7
239.12717	1.5
243.14877	98.3
244.13252	30.4
261.15952	2.0
271.14383	18.2
271.17004	1.5
289.15384	41.4
289.18387	1.9
302.35834	1.2
313.79449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03925	0.9
55.01867	1.6
55.05495	1.0
56.96551	0.9
57.03435	1.1
60.55346	0.7
67.05492	4.9
69.03413	2.1
69.07061	1.2
70.06582	0.8
71.04972	1.2
79.05456	2.0
81.03398	27.2
81.07028	4.1
82.06570	1.0
83.04967	1.2
84.04486	1.0
84.79320	0.8
85.02904	1.4
86.09686	1.1
91.05457	6.6
93.07021	5.4
95.04920	1.9
95.08579	1.4
96.08105	1.7
97.02890	0.9
98.97556	3.7
99.04451	1.3
101.92850	0.9
105.07000	1.9
107.08584	1.4
109.06516	1.3
109.10152	1.2
109.98381	0.9
110.06023	9.0
110.09657	1.3
116.98610	3.6
117.57927	0.9
119.04947	1.1
119.08537	5.8
121.06487	1.0
121.10148	1.7
122.06003	20.0
123.06783	5.3
123.07998	1.1
124.07562	26.4
127.03847	1.4
128.98499	1.1
132.01724	1.0
133.10132	1.4
134.99623	0.9
135.04399	1.0
137.05878	1.4
137.09592	3.5
138.09120	100.0
140.10678	7.4
145.10139	1.1
147.04430	1.2
147.08052	1.4
148.07564	1.3
149.08372	3.5
150.05490	43.0
150.51952	0.9
152.07047	87.6
165.09088	6.1
173.10745	1.0
174.09132	5.3
177.00687	1.4
188.10663	1.2
198.12767	1.2
213.10155	1.4
214.10973	1.7
215.11797	1.7
215.15421	13.1
216.13812	22.6
226.12227	4.8
227.15457	2.2
228.12401	1.7
239.12717	1.5
243.14877	98.3
244.13252	30.4
261.15952	2.0
271.14383	18.2
271.17004	1.5
289.15384	41.4
289.18387	1.9
302.35834	1.2
313.79449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
56.96554	2.1
69.03419	2.2
72.08131	2.0
81.03409	2.2
85.02910	6.9
86.09664	1.7
86.92692	1.3
97.59621	1.9
98.97534	1.9
109.02892	1.5
127.03899	35.8
137.05960	2.9
138.40019	1.5
153.05568	1.5
158.12376	1.5
187.33015	1.5
219.50113	1.6
266.40189	1.5
289.12518	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	289.1543
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
50.76926	0.6
53.44799	0.6
56.96552	0.9
62.83308	0.8
67.05462	1.0
68.73505	0.8
78.46666	0.7
79.05476	1.5
81.03407	1.3
82.06538	1.5
86.87991	0.8
91.05472	1.5
92.17106	0.8
93.07028	0.9
95.08606	1.0
97.02909	0.9
98.06011	1.3
98.97578	1.1
105.07031	0.9
107.04911	1.2
110.06033	12.9
110.09705	1.1
110.97481	1.1
111.53044	0.8
114.94123	0.9
122.05999	19.3
123.06783	4.1
124.07564	30.1
135.04428	1.2
137.65158	0.9
138.09113	100.0
140.10730	7.5
150.05487	45.0
152.07042	80.6
153.01826	6.7
160.09998	0.9
163.03935	1.5
171.02884	1.4
174.09129	5.2
184.11195	0.9
192.13120	0.8
214.10915	1.2
215.11855	1.3
215.15355	12.1
216.13794	23.5
226.12288	1.7
227.15436	3.6
228.12474	1.5
243.14873	83.5
244.13251	32.1
261.16013	3.4
271.14337	21.5
289.06958	1.7
289.15414	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.118
Annotation	Limazepine A
Peak:m/z	Relative Intensity
55.05496	0.5
56.05036	0.5
56.56475	0.5
56.96555	3.8
57.07069	0.5
61.02923	1.0
65.03931	0.6
67.05477	0.7
69.03405	1.0
69.07069	0.7
70.06587	0.6
72.08128	0.7
73.07990	0.6
75.15707	0.5
79.05470	0.6
81.03426	0.6
81.07044	0.8
84.08093	0.9
84.96038	0.9
85.02888	1.1
86.09719	1.1
92.00605	0.5
95.04937	0.7
97.02861	1.3
97.06531	1.3
98.97556	4.2
99.04422	0.8
103.05379	0.7
112.11221	0.7
116.26614	0.6
116.98615	1.2
123.04459	1.4
127.03826	1.0
128.98541	0.7
129.07019	0.5
130.12283	2.7
131.04904	2.3
133.66307	0.6
137.05980	7.9
146.99635	1.1
154.53310	0.5
154.99156	0.6
161.01350	0.7
175.07581	0.8
181.07562	5.6
182.08360	69.5
183.09129	4.6
187.07571	1.1
195.09167	10.1
197.07170	2.8
198.07924	2.4
206.08438	1.1
207.09137	7.3
209.07077	5.8
211.08636	100.0
214.12302	1.4
214.45007	0.8
219.01706	0.6
223.08618	5.1
225.10254	6.0
235.08713	2.8
237.02753	1.1
241.09676	10.3
242.11644	0.6
243.01770	1.2
246.00587	0.8
253.09645	7.5
261.02731	1.0
271.10748	12.0
289.11832	49.1
289.15421	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
53.03921	1.0
55.01856	1.2
55.05489	0.7
56.96529	0.9
65.03924	2.9
66.19186	0.6
67.01849	2.7
67.05486	1.5
67.85052	0.5
68.99773	5.0
69.03411	1.4
69.07061	0.7
71.04971	0.7
71.56319	0.5
72.08134	0.9
72.83109	0.5
79.05477	3.6
81.03380	1.3
81.07029	1.5
82.04744	0.6
83.04967	0.8
85.02864	0.8
91.05441	4.3
93.07021	1.1
94.06534	0.9
94.31711	0.5
95.04913	3.6
95.45724	0.6
97.02849	1.0
98.97522	1.0
99.04446	1.2
105.07018	1.5
107.04933	91.6
107.08578	0.8
108.08106	0.8
109.10133	1.1
111.04418	3.8
115.05418	1.1
117.07001	0.8
119.04906	4.4
119.08527	1.5
121.02831	17.0
122.05995	0.8
123.04396	1.3
127.03873	1.3
127.77508	0.6
131.04860	1.0
131.08588	0.7
133.10104	1.3
135.04367	6.9
135.31102	0.6
136.07530	0.7
137.06058	0.6
138.09087	0.7
139.03871	4.0
141.06987	5.1
147.04413	2.9
147.08061	0.9
149.02315	87.3
153.01802	100.0
154.02663	0.7
163.03871	1.3
167.03351	9.4
169.06439	9.7
173.05881	1.2
187.07495	1.1
195.02823	6.3
197.05925	11.1
213.05240	0.6
215.06989	76.0
225.05373	0.9
242.05756	3.8
243.06465	32.2
271.05942	12.5
271.48648	0.7
289.07019	9.4
289.10172	1.1
289.14087	1.0
289.17868	0.8
310.87347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.00328	0.9
53.03942	20.3
55.01866	6.8
55.05498	0.9
57.03429	6.5
61.02913	1.8
65.08720	0.8
67.05489	1.1
68.02632	1.2
69.03419	20.3
70.06584	8.6
71.01340	4.5
71.04967	11.3
73.02892	1.6
79.05493	1.7
81.03405	38.7
81.04503	6.2
83.04968	2.1
85.02888	20.0
91.05449	3.2
95.04971	2.0
97.02872	26.0
99.04427	27.5
99.05026	1.5
107.04952	1.5
109.02862	58.7
109.06535	1.0
111.04438	5.4
116.07072	7.3
119.01881	4.8
120.20275	0.9
123.04435	5.3
125.02296	1.1
125.88052	0.9
127.03902	100.0
127.04976	8.0
139.03896	1.4
151.03885	1.5
166.96974	1.0
169.04985	1.5
177.05624	1.0
181.04823	1.3
193.04889	1.1
199.06012	1.5
223.05981	4.3
236.48706	1.0
253.07018	1.8
289.13998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29717	0.4
53.85187	0.4
55.03336	0.4
55.05508	0.6
56.96556	0.4
70.06568	1.0
72.08122	0.6
79.05468	1.0
81.07029	0.6
84.08136	0.7
85.02882	0.5
86.09691	0.7
91.05457	9.6
93.07039	1.2
95.04949	1.3
98.98470	2.3
103.05448	2.7
105.07001	5.6
107.04933	23.2
107.08583	0.8
110.09690	0.6
115.05415	2.4
116.06220	0.5
117.06967	2.0
118.04108	0.5
119.04916	2.4
121.06480	36.5
121.93068	0.5
122.07225	1.2
127.69487	0.5
129.06972	6.9
131.04938	4.5
131.08519	1.2
133.06470	4.2
133.10080	0.7
135.08044	5.7
137.05942	11.8
144.05661	1.0
146.07237	5.5
147.04440	0.6
147.08015	1.0
148.05154	3.1
149.05980	1.1
149.09621	0.9
157.06487	2.1
159.08049	0.9
161.05945	100.0
161.09589	30.2
163.07501	18.0
164.08279	1.2
165.09059	0.8
166.08586	0.8
174.06726	2.5
175.07751	0.6
179.06996	26.4
181.08566	1.1
183.10149	3.4
186.07401	1.2
189.09065	35.7
207.10127	58.9
213.60219	0.5
214.06682	0.6
271.11728	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	288.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.4
55.05491	0.5
57.06783	0.6
57.07067	16.7
57.71530	0.3
58.06571	0.7
62.06076	0.3
69.07023	0.5
70.06577	21.5
71.08614	6.9
73.02859	0.4
85.10145	2.4
86.05053	0.3
88.07616	27.8
92.63425	0.4
102.09169	5.8
106.08652	15.4
160.21529	0.4
173.58945	0.4
226.25162	0.8
244.26273	0.7
270.27853	7.7
288.28915	100.0
289.29340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2215
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
52.89832	2.8
53.00294	3.0
55.05503	74.5
57.07066	70.3
57.11671	2.5
58.06610	3.3
60.27697	2.6
62.06081	6.2
63.39008	2.5
63.39327	3.0
67.05490	70.4
69.06714	5.4
69.07056	100.0
71.04935	3.4
71.08617	34.9
72.37988	2.5
79.05473	29.0
81.07039	96.4
83.04981	5.9
83.08604	62.0
85.10171	4.9
91.05476	12.4
93.07016	51.2
95.08583	96.1
97.06494	33.8
97.10162	24.8
105.06982	6.2
107.08572	39.6
109.10123	37.2
111.08060	14.2
111.11719	5.4
114.39636	2.6
115.07603	3.2
121.10110	45.6
123.11700	15.5
125.09616	13.6
131.08603	4.9
133.10143	12.3
135.11655	35.7
139.11195	12.0
145.10237	3.0
147.11659	4.8
149.13237	24.2
153.12704	3.2
163.14828	4.0
167.14178	3.4
174.18542	3.3
205.19528	18.0
212.23669	4.1
213.24069	3.5
223.20570	7.1
230.24750	26.8
231.25038	21.4
241.21736	4.0
251.20103	6.5
286.31070	54.9
287.05521	3.7
287.22092	83.2
287.31259	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65005	1.6
53.00311	1.8
55.01858	2.0
55.05506	62.5
57.03410	3.5
57.07069	39.2
58.83223	1.6
63.70426	1.7
66.23008	1.7
67.05484	25.8
69.07056	100.0
71.04974	2.6
71.08612	19.0
73.06533	2.6
79.05483	16.9
81.07034	40.2
83.04971	7.4
83.08608	50.2
85.10164	7.6
93.07023	35.4
95.08581	34.1
97.06516	20.0
97.10148	31.3
103.68497	1.9
107.08564	26.5
109.10156	13.6
111.08059	9.2
111.11714	18.0
121.10110	27.3
123.11677	7.2
125.09611	3.4
135.11671	22.2
137.13245	2.9
139.11180	12.4
143.10707	2.8
149.13229	12.5
153.12755	7.3
161.13089	1.7
163.14799	11.6
166.80478	1.9
167.14212	2.9
171.24532	2.0
181.15877	2.4
203.12715	2.7
219.21053	23.7
237.22093	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2215
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
53.03942	0.8
54.42282	0.7
55.01872	8.7
55.05505	48.8
57.03428	7.3
57.07064	4.0
65.03911	1.6
65.70103	0.7
67.05493	69.3
69.03419	3.4
69.07056	57.1
71.04982	8.7
73.06554	1.1
79.05472	38.1
81.07039	89.1
83.04975	12.9
83.08609	30.3
84.10149	0.8
85.02876	1.0
85.06541	6.1
91.05466	12.6
92.08719	1.0
93.07022	60.8
95.04942	4.2
95.08589	100.0
97.06512	18.0
97.10154	20.0
99.08059	1.8
100.21645	0.8
105.07018	11.2
107.05007	0.8
107.08579	24.3
109.01447	0.9
109.06501	2.0
109.09390	1.7
109.10142	45.8
111.08071	7.8
111.11710	3.4
117.06997	3.6
119.08579	10.4
121.10122	42.3
123.08078	1.7
123.11703	11.5
124.77202	0.7
125.09631	4.3
131.04865	1.0
131.08546	7.5
133.10112	13.6
135.11664	12.3
137.05978	5.3
137.09618	3.4
137.13257	3.4
139.11143	14.8
145.10114	7.3
147.11652	6.2
148.05179	0.9
149.09599	1.5
149.13245	5.7
151.11177	1.9
159.11705	3.8
161.13232	1.8
163.11176	1.4
166.98679	0.9
167.03535	0.8
167.14345	0.9
171.01369	3.3
173.11780	1.1
173.13231	4.0
175.14708	1.6
187.14815	1.0
195.13802	1.2
203.12814	1.7
205.19499	1.4
207.83249	0.8
215.17882	10.5
233.18970	21.1
251.20007	95.4
269.21078	31.2
287.05222	0.9
287.70023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01857	3.8
55.05505	22.2
56.96550	0.9
57.03144	1.0
57.03429	27.9
57.07059	4.7
65.03934	1.6
67.05492	78.9
67.54984	0.6
69.07054	34.6
71.04977	5.7
73.02885	0.8
73.42455	0.7
73.89751	0.8
79.05475	46.6
81.03407	1.5
81.07038	100.0
82.07349	0.8
83.04955	11.1
83.06461	0.7
83.08601	16.8
85.06517	4.7
89.40894	0.8
91.05457	26.1
93.07021	69.5
95.04964	5.8
95.08588	29.1
97.06501	13.9
97.10167	1.2
99.08075	3.1
105.07030	10.0
107.07868	1.6
107.08576	40.3
109.06510	3.2
109.10149	4.2
111.08064	8.9
111.93868	0.7
113.09609	1.2
117.06990	10.0
119.08530	1.7
121.06476	1.1
121.10126	18.5
123.11652	1.2
129.06999	1.0
131.08542	13.9
131.09450	1.3
133.10129	8.1
135.08032	0.9
135.11661	8.9
137.05956	4.1
139.11127	0.9
147.11665	0.9
149.13232	35.1
159.11632	15.6
167.14346	0.8
177.12679	7.1
195.13811	10.6
213.14706	0.9
269.17407	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.68413	0.9
54.81581	1.0
55.01860	4.7
55.05505	21.9
56.04586	0.9
56.28874	0.9
57.03176	1.8
57.03432	30.4
57.07071	5.8
57.09702	0.9
65.04772	0.9
67.05497	73.8
69.07056	28.1
71.04972	8.5
78.59521	0.9
78.62878	0.9
79.05477	44.8
79.85310	0.9
81.03424	1.3
81.07040	100.0
83.04984	10.8
83.08608	20.8
85.06529	5.5
91.05457	21.0
91.20055	1.0
93.07025	68.5
95.04945	8.0
95.08590	27.7
97.06516	12.4
97.10131	1.2
99.08086	2.2
105.07006	8.7
107.04930	1.0
107.08578	40.9
107.09298	1.5
109.06546	3.7
109.10136	1.7
111.08061	5.8
111.42140	1.1
111.65349	0.9
113.09612	1.1
117.06993	9.4
119.08571	1.6
119.81593	1.1
121.06454	1.0
121.10120	21.1
123.11697	1.8
125.09655	1.4
131.08536	10.7
133.10121	7.5
135.08080	1.8
135.11673	8.6
137.05983	4.8
147.11664	1.7
149.13237	33.3
159.11674	14.0
177.12730	5.5
178.73381	1.1
179.77560	1.0
184.66040	1.0
187.46896	1.0
191.10596	1.1
195.13799	10.2
269.17419	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62919	0.5
51.55812	0.4
52.57963	0.4
53.03923	1.2
55.01865	22.8
55.05505	20.6
56.96543	2.8
57.03220	0.4
57.03429	5.7
57.26511	0.5
58.83979	0.4
59.04975	0.5
59.86972	0.4
65.76331	0.5
67.05490	15.8
68.99763	3.9
69.03399	3.4
69.07063	4.5
70.14867	0.5
71.04977	22.6
71.66158	0.5
72.08125	0.5
72.56465	0.5
79.05476	11.6
81.03408	4.3
81.07040	14.2
83.04958	2.5
83.08604	9.6
85.02900	0.8
85.06522	4.5
87.04453	4.9
89.03889	2.4
89.64950	0.5
91.05453	7.6
93.07024	10.8
95.04933	2.7
95.08568	4.0
97.02901	0.8
97.06508	100.0
97.10143	11.9
98.97555	5.1
99.04411	0.5
103.05466	0.7
105.03378	3.8
105.07001	4.1
107.04960	4.8
107.08570	9.9
109.02830	1.0
109.10113	6.1
111.00809	1.0
111.08057	1.1
116.98600	3.3
117.07010	4.0
119.08548	2.2
121.02843	0.9
121.06449	2.2
121.10046	0.8
125.09607	5.1
129.06995	2.5
131.04910	0.9
131.08531	2.9
133.10071	2.1
135.04388	3.0
135.08009	4.2
135.11691	0.9
137.02258	0.7
137.05991	4.1
141.06950	1.2
145.06404	0.7
147.04388	1.0
149.02306	7.3
149.13213	2.8
151.07510	0.6
153.01801	42.8
153.09151	0.5
157.06435	2.9
159.11598	3.8
161.02286	5.5
161.05939	0.8
163.03886	1.2
163.07533	0.6
165.01749	0.7
165.75768	0.6
169.06410	0.5
171.04309	1.0
175.03914	1.1
175.07497	0.9
177.12703	3.3
179.03387	0.7
185.05949	4.7
189.05437	1.0
189.11201	1.1
191.03355	2.5
193.17584	0.5
195.07970	0.6
195.13763	21.4
197.05891	1.1
199.03929	1.0
202.23943	0.5
203.03354	1.0
203.07001	4.3
213.05435	9.8
213.14816	8.8
214.05820	0.5
216.04178	1.3
217.04912	3.2
225.29645	0.5
231.06480	13.4
241.04916	23.3
259.05969	2.3
269.04385	6.3
269.17346	6.9
287.05438	71.2
287.18420	28.4
288.05777	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	287.1274
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
52.62193	1.3
55.01851	1.5
56.96561	1.9
59.24894	1.6
79.05471	6.0
81.03393	2.0
81.07035	5.8
91.05462	11.9
92.57047	1.6
93.07030	1.9
94.04149	2.4
95.04948	3.5
98.97551	6.3
103.05453	17.9
105.06997	13.6
107.04957	3.5
108.20301	1.5
109.06499	9.9
111.04449	1.9
115.05481	2.3
116.98650	3.1
119.04896	1.6
121.06477	20.9
122.03584	2.1
123.93548	1.3
129.24780	1.6
131.04901	12.0
134.03639	1.7
135.08018	17.3
137.05954	55.7
141.06906	2.1
143.04958	1.5
145.06425	2.9
147.04416	2.4
148.05190	3.4
149.05962	13.6
151.07521	16.1
152.06140	27.8
152.07178	1.5
161.05869	2.4
162.06654	1.9
163.03973	2.7
163.07507	27.4
165.06975	18.0
165.09064	3.7
166.07762	21.0
167.08536	91.5
169.06485	6.2
173.63794	1.5
177.07001	8.9
181.06412	2.9
181.10066	3.2
182.13617	1.7
183.08109	6.1
184.08864	6.6
194.07233	11.0
195.08012	100.0
196.08823	3.2
197.05943	21.4
209.09612	9.1
211.07492	7.4
212.08298	20.1
223.07521	26.5
224.08080	1.6
225.05380	2.2
227.10619	89.1
237.08928	3.0
239.06879	2.1
240.07750	7.9
255.10103	54.0
256.11057	1.8
272.10342	2.1
287.12738	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	287.1274
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
51.49331	0.8
55.01862	0.9
57.14713	0.9
67.05484	0.9
69.03413	1.2
73.66882	1.0
79.05460	4.0
81.07018	2.1
83.04949	1.2
91.05434	8.7
94.04175	1.3
95.04959	1.6
103.05454	11.7
103.53595	1.0
105.06989	7.6
107.04949	4.1
109.06535	9.3
111.04414	1.4
115.05485	1.8
119.04955	1.6
121.06491	15.4
122.03671	2.1
131.04932	10.6
134.03633	2.3
135.08035	19.5
137.05954	39.2
139.32785	1.0
141.06982	1.8
143.04843	1.2
144.77486	1.0
145.06427	1.7
147.04395	2.2
149.05989	16.7
150.06848	1.1
151.07539	15.1
152.06178	26.8
153.06955	1.1
157.06514	1.7
159.04358	1.3
161.05927	2.1
162.06778	2.2
163.07527	23.4
165.06955	15.8
165.09033	1.6
166.07759	18.3
167.08530	86.7
169.06407	6.2
174.06726	1.3
175.07507	1.5
176.06136	2.2
177.06973	10.4
179.08591	1.5
180.05656	1.9
181.06459	4.7
181.10091	3.9
183.08002	4.4
184.08800	8.9
187.07440	1.6
194.07231	12.8
195.08032	100.0
196.08777	6.9
197.05965	19.5
205.06519	1.1
209.09698	7.9
211.07555	8.9
212.08298	18.4
213.09103	1.1
219.33705	1.1
223.07504	25.1
225.05388	1.3
227.10635	67.8
237.09171	1.4
239.06976	2.4
239.38110	1.1
240.07800	7.3
255.10109	41.6
272.10388	3.8
287.12744	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3101
Annotation	ES-285
Peak:m/z	Relative Intensity
52.55694	0.5
55.05494	1.0
57.07069	25.1
58.06578	2.8
60.09465	0.5
62.05796	0.6
62.06082	12.2
69.07047	1.2
71.08614	10.5
85.10193	4.1
92.08640	1.3
95.08614	0.5
154.94255	0.6
156.73155	0.5
172.95213	1.1
190.96288	1.1
268.29996	7.4
286.30994	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	286.3102
Annotation	ES-285
Peak:m/z	Relative Intensity
50.08899	0.4
55.05507	0.7
56.17439	0.4
57.07068	22.9
58.06580	3.0
62.05793	0.7
62.06076	11.9
69.07056	0.7
71.08309	0.6
71.08624	10.1
72.08142	0.6
85.10155	3.1
100.08293	0.6
112.47466	0.5
156.17424	2.3
174.18475	5.1
183.17278	0.6
186.95325	0.5
212.23706	10.4
230.24748	52.2
260.04919	0.6
286.30984	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03925	0.6
54.13185	0.4
55.01853	3.3
55.05508	3.5
56.96555	1.1
57.03425	0.7
58.08763	0.4
60.04512	0.8
67.05486	2.7
68.99780	4.7
69.03409	0.9
69.07061	0.8
71.04972	2.7
79.05479	3.5
81.03397	2.4
81.07029	4.6
83.04948	0.7
83.08587	1.9
84.04485	7.7
85.02872	0.8
85.04845	0.8
89.03907	2.9
91.05456	2.7
93.07008	3.3
95.04942	2.0
95.08597	0.9
97.02858	1.0
97.06499	11.8
97.10146	1.0
98.97587	4.1
105.03378	4.7
105.06995	2.5
107.04935	4.5
107.08557	2.4
109.02882	1.0
109.10142	1.2
111.00822	0.8
111.08005	0.8
115.05421	0.5
116.98582	3.4
117.03375	0.8
117.06992	0.9
119.08579	1.1
121.02836	2.1
121.10143	0.5
123.00749	0.7
123.04392	0.9
125.09640	0.5
128.06161	0.7
129.06976	2.7
131.00189	0.5
131.04872	0.9
131.08537	0.9
133.10144	0.6
134.99623	0.6
135.04411	2.5
135.08037	0.9
137.02318	1.0
137.05969	4.7
141.06972	1.8
145.06500	1.1
145.10057	0.7
146.71210	0.5
147.04370	2.5
149.02325	7.1
151.03822	0.6
153.01810	46.7
157.05261	0.4
157.06439	4.1
158.99724	0.8
161.02243	5.0
161.05922	1.1
163.03839	1.1
165.01845	0.6
169.06441	0.6
171.02898	0.8
171.04370	2.3
175.03876	2.5
175.07491	0.6
177.00633	0.7
179.03357	0.7
185.05937	4.5
189.05489	1.0
191.03320	1.0
195.13763	3.0
197.05840	0.6
199.03906	1.2
203.03453	0.7
203.06976	4.3
209.80722	0.5
213.05429	12.0
213.14793	1.0
216.04166	3.1
217.04938	3.3
228.52126	0.5
229.04927	0.8
231.06496	17.9
241.04915	26.7
259.05957	3.3
269.04401	7.8
272.08670	0.5
286.16577	2.3
287.05444	100.0
287.18436	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01853	0.8
55.05507	0.6
55.93534	0.4
56.96552	0.6
57.03421	2.3
60.08149	3.7
61.02915	4.9
64.76278	0.3
69.03417	9.4
69.07040	0.5
69.56445	0.4
70.06575	4.6
71.04964	1.0
72.08129	4.2
72.93768	1.9
73.02879	0.8
78.03455	0.3
81.03419	3.3
81.07034	0.8
83.06092	0.5
84.08138	0.5
85.02892	18.2
87.04461	0.9
90.94803	0.6
91.03944	0.7
91.05476	0.6
93.04533	0.6
95.06053	0.6
96.04453	2.0
97.02879	5.4
98.97559	0.5
99.04429	0.7
106.06541	100.0
107.04940	0.8
109.02854	1.7
110.07159	5.8
111.02642	0.7
113.96391	0.5
116.07072	5.1
116.98595	0.6
124.07571	71.2
125.81233	0.4
127.03915	2.6
137.05972	0.6
139.02135	1.7
145.04924	0.7
149.96106	0.8
156.07663	0.5
163.12311	2.0
167.01619	2.4
167.97131	1.9
170.00339	2.1
172.97696	1.9
185.02609	3.6
190.98723	0.8
199.04237	2.2
208.14474	0.8
209.02675	0.6
227.03679	2.7
286.10425	1.3
286.12836	4.2
286.17651	1.9
297.48520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2209
Annotation	Retinaldehyde
Peak:m/z	Relative Intensity
50.15533	1.6
53.00319	1.9
53.03935	2.9
54.08287	1.5
55.05504	27.5
55.74671	1.6
57.07064	3.6
60.94601	1.8
63.77043	1.7
67.05491	32.4
69.03407	2.3
69.07052	74.6
70.99213	1.6
71.04964	8.1
73.74681	1.7
76.53771	1.8
79.05477	21.3
81.07035	45.4
83.08591	4.2
83.32439	1.9
91.05457	28.9
93.07025	38.0
95.04942	16.8
95.08591	44.6
97.06485	16.7
97.10143	3.3
99.80592	2.0
103.05433	2.4
105.07014	97.9
107.08579	44.9
109.06509	21.5
109.10135	31.6
111.08031	3.1
117.06989	11.8
119.08556	100.0
121.06493	10.5
121.10110	30.9
123.08104	3.6
123.11682	14.6
126.61047	2.1
128.06189	2.1
128.75359	1.7
131.08513	13.7
133.10106	61.3
135.08043	10.2
135.11653	10.0
142.07697	2.6
143.08519	9.6
145.10092	23.4
146.07254	11.4
147.11681	25.0
149.09525	2.5
155.08420	2.7
157.10107	7.3
159.11693	8.1
160.12335	2.7
161.09595	62.9
161.13237	3.2
168.05142	1.9
171.11632	3.0
173.13176	4.6
175.14780	50.2
177.16235	6.4
182.10968	1.9
183.11551	2.8
185.13235	7.3
193.15846	3.5
197.13225	4.2
211.14748	4.3
246.75848	1.9
258.75580	2.1
267.21011	3.9
285.21964	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Angustanal
Peak:m/z	Relative Intensity
53.17189	1.5
55.05507	14.9
57.07053	6.5
58.95784	1.4
59.04989	66.4
61.72250	1.7
67.05486	3.1
69.07048	19.7
71.08585	1.9
71.32472	1.8
76.80981	1.6
79.05458	2.9
81.07034	8.0
83.08595	3.5
86.82037	1.7
87.73886	1.8
90.94789	2.0
91.05453	8.0
93.07024	36.8
95.08576	3.8
97.10116	2.7
97.46454	1.6
105.06996	7.6
107.08542	3.0
109.10157	2.0
117.06995	2.6
119.08582	3.4
121.06479	39.3
123.11693	17.9
123.92266	1.7
128.06187	2.9
129.06966	23.0
131.08533	24.0
133.10112	13.0
142.07726	1.9
143.08551	31.4
145.10078	3.7
147.08012	1.8
149.05962	2.5
150.06253	2.6
155.08530	8.6
157.10085	35.7
159.11671	1.8
161.09601	2.5
163.11145	50.9
167.97084	1.9
169.10081	9.5
171.11676	18.1
175.11182	6.8
182.10880	3.2
183.11635	8.3
185.13231	1.8
186.10330	3.4
189.12701	54.5
189.83806	1.6
197.13208	4.2
201.12677	34.1
211.14766	24.7
215.14284	7.2
227.17961	2.2
229.15837	2.2
252.18530	1.9
267.20953	12.0
285.10248	1.8
285.22061	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	285.2057
Annotation	Asperic acid
Peak:m/z	Relative Intensity
50.97503	2.7
52.97977	2.6
53.03933	6.4
55.01862	36.9
55.05505	100.0
57.03429	4.1
57.07051	18.0
67.05491	86.1
67.83073	2.8
69.03406	31.7
69.07051	54.4
71.01321	12.7
71.04976	14.4
71.08613	78.5
73.22880	3.4
79.05477	62.8
79.05914	5.6
81.03396	75.2
81.07040	69.5
83.04964	24.5
83.08601	50.9
85.10175	13.0
85.78294	3.0
91.05453	60.4
92.08725	3.4
93.07029	74.1
95.04955	37.8
95.08581	83.4
97.06504	33.0
99.08070	52.5
105.06987	41.9
107.04924	5.3
107.08553	19.5
109.06497	19.3
109.10130	30.6
111.08060	12.5
113.09625	12.1
117.06986	4.7
119.08575	45.7
121.10099	35.5
131.08521	5.6
133.10100	28.8
135.08054	27.3
135.11679	5.7
137.09573	32.9
139.07616	3.2
139.11124	13.2
147.07982	6.1
147.11656	6.0
148.97673	3.3
149.09625	7.4
151.11131	57.5
155.10640	57.8
156.10870	3.5
161.09613	6.3
165.06975	14.5
165.12720	46.9
167.10663	3.8
182.07291	3.9
185.75713	3.4
193.06442	6.7
203.17911	5.8
210.06712	6.3
213.16476	4.0
221.05951	14.7
221.18964	13.6
221.98610	3.2
225.09065	13.9
231.17450	7.8
249.18417	79.4
253.08549	32.1
267.19498	34.8
285.11118	5.1
300.94977	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	285.2054
Annotation	Koninginin C
Peak:m/z	Relative Intensity
53.00303	1.9
53.03933	4.7
53.30368	1.0
54.81784	1.2
55.05505	10.8
57.03416	1.8
57.07062	36.5
61.10593	1.0
63.04029	0.9
65.03948	1.1
67.05489	25.1
68.12854	1.1
69.03416	1.6
69.07054	16.1
71.04975	2.6
71.08614	1.6
76.14040	1.0
79.05468	8.4
81.03402	8.9
81.07034	28.4
81.07490	2.0
83.04969	1.9
85.02895	2.0
85.10164	86.2
91.04884	1.9
91.05453	57.2
91.06002	2.3
93.07018	100.0
94.81909	1.1
95.04923	9.2
95.08571	17.4
97.06525	1.7
105.07011	15.6
107.08564	8.5
109.06434	1.1
109.10134	22.3
112.99804	1.0
113.09620	79.9
119.08555	26.4
121.10141	2.4
123.11671	6.5
133.10107	19.7
137.09615	5.5
141.12738	2.2
147.11661	1.9
151.11154	9.9
153.74420	1.1
165.06967	2.2
165.12715	4.4
169.12215	9.7
193.06483	1.6
203.17917	19.6
210.06758	1.2
221.05946	1.5
221.18948	62.0
225.09117	2.3
240.23151	1.3
249.18449	26.8
253.08478	5.9
267.19461	14.0
270.05194	5.8
285.11267	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55539	0.7
53.03933	1.9
53.18913	0.6
53.78151	0.7
55.01863	3.8
55.05507	11.0
56.89296	0.8
57.03433	12.9
58.56048	0.7
67.05492	12.8
69.03419	3.8
69.07059	3.0
71.05004	1.5
76.53456	0.8
79.05471	14.3
81.03401	100.0
81.07045	14.4
83.04962	6.1
83.08602	16.0
85.02897	11.6
91.05472	21.1
92.09309	2.7
93.07023	9.9
95.04954	26.1
95.05573	0.9
95.08594	5.4
97.02895	1.0
97.06499	1.2
105.07014	14.8
107.04972	5.7
107.08562	3.3
109.06561	1.7
109.10165	1.1
111.04430	1.1
111.08071	5.3
113.06029	0.9
113.41253	0.8
119.08562	11.8
121.10150	4.5
123.08044	1.3
129.06982	7.5
131.08533	7.4
133.06447	1.6
133.10104	1.4
142.07767	1.8
145.97964	0.8
147.08017	0.7
147.11653	5.6
149.09599	3.6
157.10097	8.0
175.11133	5.9
193.12225	26.9
211.13338	4.9
212.46048	0.8
225.09100	1.2
253.08545	1.8
267.15823	8.6
285.16867	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15875	1.0
53.03947	1.8
55.01847	2.1
55.05505	18.9
57.03430	22.7
57.07058	2.3
67.05493	37.7
69.07057	18.3
71.04977	8.5
71.08635	1.5
75.92468	1.3
77.63789	1.2
79.05487	20.7
81.03426	3.3
81.07043	100.0
83.04953	5.6
83.08624	10.0
85.02895	2.0
85.06531	8.3
91.05463	29.9
92.09255	2.6
93.07032	14.6
95.04945	5.9
95.08601	18.6
96.97886	1.8
97.06522	8.5
101.31342	1.4
105.07018	35.4
107.08575	10.2
109.06516	5.6
118.08999	1.3
119.08565	26.6
121.10133	17.9
123.08064	2.7
123.11701	22.4
127.07483	2.1
129.06956	2.7
133.10130	2.8
135.07994	1.7
137.05927	2.2
142.07674	1.8
147.11673	45.4
157.10100	1.7
161.05945	2.1
165.07025	6.2
165.12715	17.6
183.13786	1.7
193.06461	5.5
193.12323	1.7
221.05994	3.2
225.09081	5.3
253.08531	10.8
267.15952	2.0
284.29871	1.5
285.11230	2.2
285.16965	41.4
285.22183	5.1
289.03448	1.5
293.91885	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01851	4.5
55.05503	35.9
57.03147	2.2
57.03430	64.7
62.70433	2.1
67.05148	2.8
67.05492	53.6
69.03414	5.3
69.07046	11.5
71.04984	11.4
74.14316	2.5
79.05476	49.9
81.03401	100.0
81.07037	64.5
83.04967	29.9
83.08612	29.3
85.02892	91.8
85.06539	2.7
88.69299	2.2
91.05466	55.0
92.09304	4.5
93.07020	27.7
95.04957	45.6
95.08576	23.5
97.02886	2.8
97.06530	10.1
98.97566	11.9
105.07003	49.2
107.04933	5.5
107.08565	9.7
109.06504	8.6
109.10150	4.5
110.26949	2.3
111.04435	4.0
111.08086	4.2
113.06001	4.3
115.05350	2.5
116.98541	2.8
117.06992	3.0
119.08542	31.8
121.10104	14.2
123.08054	3.3
123.11602	2.7
129.06975	14.3
131.08548	15.4
133.06468	4.1
133.10127	13.5
136.04439	2.6
136.34952	2.1
142.07736	5.3
145.10104	2.5
147.08034	2.9
147.11670	19.3
149.09613	10.4
151.07605	2.6
157.10153	18.9
165.06870	4.1
165.12772	3.8
175.11096	17.9
193.12196	49.3
211.13289	29.0
225.08879	3.8
267.15811	3.8
285.11346	2.9
285.16916	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	285.1117
Annotation	Mollugin
Peak:m/z	Relative Intensity
51.53047	0.5
52.34658	0.5
54.26308	0.5
55.01860	0.6
57.07076	1.0
59.73290	0.5
67.05479	0.7
69.65989	0.6
79.05462	0.6
80.09304	0.6
81.07007	0.6
82.61056	0.6
91.05487	1.0
91.50054	0.7
93.07032	0.9
95.04952	0.8
98.97675	0.6
103.05440	1.1
105.07027	4.8
105.07668	0.6
115.05428	1.0
122.52592	0.9
123.04460	0.8
133.06462	2.9
137.05939	1.3
146.03606	4.9
153.06982	4.2
154.07774	2.7
161.05927	13.9
161.07162	0.8
165.06973	43.8
179.08470	0.8
181.06435	7.7
182.07263	16.3
192.05687	1.0
193.06458	42.7
194.07286	2.5
197.09644	1.2
209.05934	1.6
210.06734	28.9
211.07504	2.9
221.05951	40.2
222.06636	2.6
225.09059	49.2
227.06923	1.5
237.05408	1.1
238.06189	14.9
239.06995	4.2
253.08539	100.0
254.09238	5.1
255.06500	0.9
264.32449	0.7
270.08847	1.6
285.11172	26.7
306.39954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	2.8
55.01863	2.5
55.05500	20.4
57.03426	33.1
57.07063	2.9
65.03941	1.1
67.05492	28.1
69.03415	5.0
69.07049	7.1
71.04980	6.6
72.08129	1.3
77.36029	1.1
79.05471	29.8
81.03396	100.0
81.07034	27.2
83.04968	14.8
83.08603	18.5
85.02421	2.4
85.02888	38.2
85.06542	1.3
91.05457	32.0
93.07023	21.8
95.04939	34.1
95.08578	12.4
97.02866	1.8
97.06500	2.8
97.10182	1.2
100.11187	1.5
103.05354	1.1
105.07019	26.9
107.04958	8.4
107.08572	7.0
109.06474	8.4
109.10094	1.6
111.08067	8.8
113.06000	2.3
115.05407	2.2
116.98665	1.3
117.06969	1.4
119.08561	17.8
121.06439	1.6
121.10111	9.3
123.08040	2.8
126.81254	1.2
129.06960	14.7
131.08521	11.7
133.06450	2.2
133.10100	6.5
142.07790	2.3
144.74414	1.5
147.08063	2.8
147.11656	10.3
149.09557	4.1
157.10168	11.3
165.01767	1.7
165.07014	2.1
165.12801	2.1
175.11107	11.7
193.12204	38.0
211.13246	15.9
253.08511	2.1
267.15851	8.3
285.11655	1.7
285.16901	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45435	0.1
51.59658	0.1
53.03918	0.1
54.13607	0.1
54.81781	0.1
55.01859	0.5
55.05492	0.2
56.05075	0.1
57.01237	0.1
57.03434	0.9
57.07066	0.9
58.07404	0.1
59.04979	0.7
59.34307	0.1
61.02915	1.4
62.44723	0.1
62.99361	0.1
67.05476	0.4
67.44096	0.1
69.03416	1.8
70.06580	1.3
71.01328	0.2
71.04951	0.2
71.08607	0.3
72.08134	0.2
73.02888	0.5
77.90784	0.1
81.03388	0.5
84.04501	0.1
84.08117	0.2
85.02892	5.6
85.06528	0.9
85.10138	0.2
86.06856	0.7
87.04452	11.1
88.56931	0.1
91.03924	0.2
91.05505	0.2
94.06540	0.1
97.02885	1.6
99.04453	0.1
103.07597	0.1
104.07909	0.1
105.05487	3.1
109.02871	0.5
109.05115	0.7
110.03516	2.7
110.07133	0.7
111.04406	0.5
115.03907	0.2
116.98586	0.2
122.09000	0.1
124.54475	0.1
127.03891	0.9
128.04536	1.9
134.04553	0.2
134.06033	0.2
135.03003	5.0
136.06120	0.1
145.04950	1.1
152.05655	100.0
153.04056	11.4
153.05927	0.1
154.02489	0.2
163.05965	0.5
169.09721	0.2
202.09639	0.2
220.10884	0.2
248.45256	0.1
266.11206	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	283.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
53.81964	3.0
55.01863	15.4
55.05505	40.1
56.96556	6.4
57.03428	14.8
57.07063	19.0
67.05491	100.0
69.03424	4.8
69.07047	50.3
70.40531	3.1
71.01356	3.4
71.04971	19.4
78.11982	3.1
79.05469	38.7
81.03403	8.0
81.07037	99.6
81.44829	3.8
83.04967	6.7
83.08576	3.7
85.02891	15.5
85.06530	8.0
85.10162	18.8
91.05450	47.6
92.08669	4.0
93.07026	42.0
95.04955	21.3
95.08587	80.8
97.02901	3.3
97.06524	8.2
98.97550	3.5
105.07021	43.6
107.04974	4.3
107.08581	32.8
109.06514	7.2
109.10130	56.7
113.09619	20.2
116.98639	6.5
117.07008	13.9
119.08546	19.8
121.02851	7.0
121.10120	17.3
123.08027	4.2
131.04901	4.5
131.08571	7.2
133.10117	37.5
134.99623	4.1
135.08032	5.6
135.11688	5.3
145.10101	6.0
149.09590	8.3
151.11171	13.9
163.11108	4.1
165.12752	5.1
169.12175	34.0
191.14230	3.5
204.53401	3.6
229.15894	3.9
247.16943	5.4
247.20540	4.8
254.65610	4.0
265.21585	35.0
283.09613	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	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.13788	0.1
53.03918	0.1
55.01862	0.5
56.96552	0.1
57.03432	1.0
57.07073	1.0
59.04978	0.7
61.02919	1.1
67.05485	0.8
68.05816	0.2
69.03410	1.5
70.06568	1.0
71.01342	0.1
71.08623	0.2
73.02898	0.6
81.03397	0.3
84.08129	0.2
85.02892	4.4
85.06538	1.1
86.06852	0.5
87.03937	0.2
87.04449	5.5
91.03923	0.2
91.05506	0.2
95.06078	0.2
97.02873	1.2
98.97590	0.1
99.04430	0.2
103.07559	0.2
105.05497	1.7
106.57767	0.1
109.02855	0.3
109.05108	0.7
110.03513	2.9
110.07153	0.3
111.04391	0.2
115.03885	0.2
121.08556	0.2
127.03930	0.9
128.04535	1.8
134.04547	0.2
135.02989	5.3
135.14497	0.1
136.01357	0.1
136.06192	0.2
145.04941	1.0
147.70653	0.1
152.05653	100.0
153.04053	11.1
153.05333	0.2
154.02396	0.1
163.06012	0.2
220.10823	0.2
240.32956	0.1
249.41205	0.1
266.11243	0.1
267.36621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2054
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
50.46298	1.6
53.03942	3.3
55.01867	1.7
55.05507	21.8
55.71947	1.3
56.43021	1.3
57.03424	3.3
57.07059	7.4
67.05491	36.2
69.03414	11.2
69.07057	20.7
71.04978	21.5
74.30398	1.7
75.04475	1.6
79.05474	38.2
81.07041	59.9
83.04971	3.2
83.08594	6.4
85.06537	2.7
85.10178	2.0
91.05464	51.9
93.07024	56.3
95.04961	23.6
95.08579	29.8
97.06507	9.4
98.97550	1.7
103.05414	3.2
105.04455	1.8
105.07014	100.0
107.08575	52.0
109.06487	15.4
109.10149	28.9
109.38515	1.7
115.05441	2.7
116.06242	3.1
117.07015	20.3
119.08568	49.8
121.06499	9.0
121.10129	70.2
123.08045	8.3
123.11709	2.0
128.06195	8.2
129.06995	12.2
130.07741	13.6
131.08545	46.3
133.10112	46.4
135.08032	9.7
135.11679	8.8
142.07765	9.4
143.08539	27.5
144.09323	7.7
145.10104	64.1
146.07263	4.2
147.11684	8.9
149.13271	3.0
155.08421	2.2
156.09314	7.0
157.10089	19.8
158.10899	11.4
159.11639	18.6
161.09583	20.9
161.13193	3.3
163.11136	2.7
163.60609	1.7
165.06938	3.0
169.10184	6.5
169.12207	3.2
170.10886	2.9
170.30287	1.6
171.11700	17.7
171.36586	1.9
173.09660	1.7
173.13243	40.8
173.96756	1.5
177.52211	1.8
179.08563	3.8
181.10127	2.5
183.11568	3.2
185.09586	2.1
185.13190	3.6
187.14816	2.2
193.10083	3.4
194.10966	3.4
195.11575	5.1
197.13196	1.9
199.14836	7.5
209.13258	8.8
223.14833	6.9
225.16338	2.3
227.14291	3.5
255.20963	3.1
265.19418	9.6
265.21890	2.4
280.20392	1.9
283.20493	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	283.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01861	8.9
55.05506	29.6
57.03420	10.1
57.07071	20.5
65.03938	2.8
67.05143	4.0
67.05494	90.6
69.03404	4.6
69.07055	40.4
71.04984	21.5
79.05471	47.5
81.03387	8.4
81.07038	100.0
83.04962	9.8
83.08607	10.8
85.02905	14.1
85.06517	9.5
85.10172	28.6
89.89645	1.8
91.05460	42.5
92.08657	2.1
93.07026	55.2
95.04946	17.5
95.08583	91.6
97.06506	12.1
98.97528	3.0
99.04397	2.5
105.04471	2.3
105.07018	66.4
105.76357	2.0
107.04920	2.0
107.08574	46.7
109.06506	13.6
109.10144	74.1
111.08077	3.4
113.05985	2.5
113.09605	23.2
117.07000	12.0
119.08562	31.2
121.06499	3.2
121.10112	34.9
123.08034	8.5
123.11672	10.3
125.09606	2.3
128.06210	2.4
129.06952	3.9
130.07759	4.0
130.89417	1.9
131.08566	19.7
133.10106	60.3
134.99692	2.6
135.08040	3.9
135.11685	9.3
143.08534	11.6
144.09286	3.0
145.10129	26.6
147.11684	3.3
151.11174	16.2
155.08450	2.6
157.10086	4.1
158.10893	4.0
159.11641	8.3
161.09601	9.4
165.12747	9.5
167.08516	3.8
169.12206	35.6
171.11659	3.4
173.13231	22.1
247.20517	4.9
265.19077	2.9
265.21600	49.4
283.20532	8.8
301.31613	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1902
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.00301	3.0
53.03938	4.5
54.41857	1.5
55.01631	2.3
55.01869	48.2
55.05270	3.3
55.05508	67.2
55.59701	1.6
56.55001	1.8
57.03418	4.1
57.07062	2.9
67.05495	38.2
69.03413	3.5
69.07058	100.0
71.00635	2.0
71.04970	3.6
71.08611	53.1
73.06535	16.0
76.48325	2.1
79.05479	78.9
81.03400	49.5
81.07037	44.5
83.04958	27.9
83.08611	34.6
85.02910	4.0
87.11022	1.8
90.90331	2.2
91.05460	45.2
93.07028	60.3
95.04944	12.9
95.08595	23.2
97.06534	22.4
97.10130	2.6
99.04451	2.8
99.08067	32.8
105.07005	18.4
107.04932	8.3
107.08584	72.5
109.06509	4.1
109.10130	9.4
111.04436	27.1
111.08067	20.3
114.09132	12.0
116.98618	2.8
117.06999	16.3
119.08562	24.5
121.02835	9.1
121.06476	9.3
121.10101	19.5
123.08060	3.7
125.05989	23.8
125.09624	37.7
125.83993	1.9
129.07011	2.7
131.04863	3.5
131.08580	22.4
133.10104	4.2
135.08026	9.2
135.11700	3.5
137.09621	19.0
139.11189	11.9
143.07054	16.6
145.10078	21.8
147.07962	2.5
147.11671	2.5
149.09602	21.4
151.11166	2.1
153.09087	37.3
157.10129	2.6
159.11664	3.9
163.11156	3.1
165.09068	15.7
167.08479	7.0
167.10664	13.9
170.15451	14.0
171.11693	2.4
177.06856	3.0
181.08574	2.5
183.10158	3.2
191.17860	4.1
195.08070	3.7
198.14796	3.1
199.09613	2.1
201.16310	10.9
219.17415	30.1
223.07434	2.9
227.65056	2.1
240.07906	3.2
246.78250	2.3
247.16896	32.4
265.17908	53.3
283.09595	9.7
283.19110	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1901
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.00287	1.5
53.03933	4.6
53.49943	0.8
55.01861	15.0
55.05503	25.5
55.59437	0.7
57.03423	6.6
61.64593	0.8
65.03934	1.9
67.05146	2.0
67.05492	48.3
67.70592	0.7
69.03405	4.5
69.07053	41.0
71.04972	8.5
73.47128	0.8
79.05007	1.1
79.05473	50.5
81.03390	10.7
81.07037	100.0
83.04974	7.3
83.08611	9.1
84.50169	0.8
85.02892	2.1
85.06538	1.5
91.05460	37.7
93.07017	41.3
95.04948	22.5
95.08006	1.8
95.08587	41.8
97.02864	5.9
97.06526	8.4
99.08074	3.6
103.05450	1.0
105.07005	19.0
107.04934	17.0
107.08575	21.6
109.06493	15.8
109.10155	14.7
109.58243	0.9
111.04424	1.7
111.08079	1.4
115.05418	2.1
117.06989	11.4
117.07713	1.1
119.08567	18.5
121.02917	0.9
121.06465	6.5
121.10105	15.7
123.04404	1.3
123.08046	12.8
123.11701	1.1
125.31999	1.0
127.07541	0.9
129.07005	4.5
131.04875	1.3
131.08530	19.5
133.06497	4.5
133.10112	8.4
135.08035	20.3
135.11661	1.4
137.09586	12.7
141.06941	0.9
143.08516	1.3
145.06473	1.2
145.10124	10.7
147.08014	1.4
147.11644	1.8
149.09601	18.2
151.11154	2.1
153.09058	2.1
159.11668	1.9
161.09563	1.6
163.11148	7.9
165.09099	1.7
167.10728	1.8
173.09663	1.7
177.09070	4.4
177.16408	0.9
178.09818	1.2
179.10580	1.2
185.13344	1.2
187.11139	1.0
201.16356	3.7
209.11676	1.3
219.17410	3.5
229.15837	5.2
237.18452	1.3
247.16870	18.4
265.17883	16.1
283.09540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60215	7.6
53.03934	8.3
53.95599	8.3
55.01865	50.4
55.05503	73.2
67.05498	45.0
67.47833	8.9
69.07063	100.0
70.06591	15.5
70.71689	10.0
71.08609	23.6
72.08144	12.0
74.98581	12.3
79.05487	95.2
81.03418	22.2
81.07044	54.1
83.04964	22.9
83.08625	52.5
91.05472	75.2
93.07032	79.8
95.04970	23.7
95.08590	43.1
95.51065	9.2
97.06510	14.0
102.00779	9.6
103.05406	9.2
107.04948	14.2
107.08600	67.2
109.06566	13.6
109.87133	9.2
111.04383	10.6
115.29156	9.8
117.07024	10.5
119.08563	18.7
121.02845	54.1
121.10151	47.8
125.05972	12.6
125.09592	20.2
131.04898	22.1
131.08545	13.0
137.06017	9.7
137.09596	17.8
147.08121	11.2
153.09160	11.3
164.08339	14.9
167.08611	15.0
169.06412	12.1
177.07013	10.7
193.87473	12.1
194.07343	17.8
195.08092	52.3
214.04121	10.8
219.17354	19.0
223.07574	22.0
224.08267	13.5
240.07788	18.8
247.16855	15.7
255.10020	13.5
265.17996	44.2
283.09677	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1902
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
52.00077	1.1
53.03933	2.4
53.59292	1.1
54.10778	1.2
54.81922	1.4
55.01867	30.9
55.05505	74.7
56.96559	4.1
57.03422	1.2
57.07067	1.1
67.05495	20.5
69.07056	32.8
71.04984	2.8
76.38560	1.0
79.05479	49.7
80.26393	1.0
81.03400	1.1
81.06600	1.6
81.07040	26.5
82.69102	1.0
82.99347	1.0
83.04971	10.9
83.08607	100.0
85.02878	6.4
89.81161	1.2
91.05461	47.2
93.07024	75.4
95.04965	8.3
95.08569	12.2
97.06503	2.5
97.10149	5.1
99.04421	8.5
105.07021	15.6
107.04938	2.2
107.08582	87.7
109.06515	1.9
109.10134	11.2
111.04433	11.8
111.08060	18.5
117.07001	27.3
119.08556	16.7
120.15755	1.2
121.10123	15.7
125.09602	33.8
131.08548	21.6
133.06462	2.8
133.10086	13.3
135.08035	13.7
135.11665	4.2
137.09575	7.0
139.11180	7.3
145.10147	9.5
147.11621	2.1
149.09584	24.8
153.09090	19.3
159.11691	5.7
163.11118	2.3
165.09088	1.5
167.10622	2.3
173.13184	2.2
175.14717	1.3
177.09085	4.8
201.16357	20.7
219.17418	57.8
229.15865	4.9
247.16841	21.3
265.17963	17.2
283.00320	1.2
283.18976	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01864	13.2
55.05505	30.3
57.03425	34.9
57.07071	2.6
67.05491	45.2
69.03413	3.7
69.07051	20.3
71.04975	7.8
74.30795	1.7
75.48425	1.6
79.05475	68.7
81.03397	8.3
81.06596	2.8
81.07040	52.7
83.04983	14.9
83.08624	19.4
83.96975	1.8
84.28380	2.0
87.59160	1.6
91.05461	26.8
93.06422	3.2
93.07022	96.2
95.04947	23.1
95.08589	90.8
95.09201	2.9
97.02870	12.4
97.06520	12.9
99.04433	11.7
103.05453	4.3
105.04406	1.6
105.07013	21.2
107.04945	27.6
107.07861	3.4
107.08576	72.6
109.06467	3.3
109.10124	3.8
111.08097	2.4
117.06995	29.2
119.08559	20.2
121.02837	2.6
121.06483	17.3
121.10126	28.0
121.69408	2.0
125.05956	3.3
128.51077	2.1
130.07759	4.1
131.04875	1.9
133.10098	8.7
134.09637	2.9
135.08041	8.2
135.11681	92.2
135.55086	1.9
135.83347	1.6
139.07513	4.1
145.10112	60.7
155.08476	2.9
158.16313	1.7
163.11157	82.7
171.15651	2.0
173.09576	1.8
181.12166	20.3
194.07256	1.7
204.82475	1.9
223.07425	2.9
227.12747	100.0
283.09872	1.9
283.15335	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
57.03426	1.5
60.08334	0.8
67.05482	1.5
71.68154	0.8
78.16024	0.9
79.05464	1.2
79.91534	0.8
81.07024	1.2
83.04951	1.7
83.65497	0.8
91.05476	1.2
93.07024	3.7
103.55693	0.8
105.06997	0.9
106.60799	0.9
107.08558	1.1
135.11681	1.1
138.01775	0.8
147.04410	1.8
165.07088	0.9
233.11530	2.0
283.15100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14676	0.3
53.72291	0.2
55.05507	0.6
56.96551	0.6
60.48966	0.3
62.34197	0.3
64.47166	0.2
67.05483	2.2
68.05050	0.4
69.03429	0.3
69.07057	0.6
70.06583	100.0
79.05488	1.5
81.07051	2.7
85.02908	0.5
89.91985	0.3
91.05473	3.7
92.63831	0.3
93.07045	1.5
95.08591	1.6
97.02867	0.5
97.06546	0.5
98.97549	2.2
105.07033	1.3
107.04985	0.4
107.08569	0.7
109.06548	0.5
113.45640	0.3
116.98636	1.6
117.07036	0.5
119.08520	0.4
120.04456	0.4
121.10117	0.3
124.07617	0.8
131.04863	0.4
131.08571	0.4
133.10207	0.5
134.09659	0.5
134.99628	0.8
135.04361	0.3
137.06004	0.3
141.06972	0.3
147.04457	1.6
161.97884	0.3
163.97801	0.3
234.29790	0.3
253.31253	0.3
264.19708	0.7
277.00900	0.6
282.20547	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	283.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77750	1.9
55.01857	2.8
55.05502	3.6
56.05024	5.3
56.96552	2.6
57.03422	16.5
57.06776	3.0
57.07065	55.4
59.04987	22.3
60.04515	33.0
61.02629	2.8
61.02916	39.9
62.67048	1.8
67.05489	62.6
69.03416	18.6
69.07050	3.3
70.03757	2.1
70.06574	11.4
71.04967	2.4
72.08141	3.0
73.02895	4.4
74.06069	27.8
79.05479	2.7
81.03399	5.1
81.04520	2.4
81.07037	3.4
84.04485	3.7
84.08122	45.4
85.02890	88.0
85.06527	100.0
86.03217	12.6
87.04459	2.5
88.03983	2.8
91.03912	2.2
91.05463	23.9
97.02859	16.4
97.06356	2.2
98.03198	2.5
98.97554	4.4
98.98448	3.3
99.77982	1.9
102.05517	10.8
103.06966	2.6
103.07559	76.5
103.94657	2.2
107.04940	68.6
109.02856	8.2
110.07142	5.1
115.05488	2.4
116.98622	4.2
119.04918	24.5
119.08163	16.1
120.05732	4.7
120.08088	2.9
121.02834	8.6
121.06470	9.8
121.08601	32.2
123.04432	2.6
127.03893	12.9
127.04954	2.7
128.04211	4.4
133.06432	10.2
134.05997	3.8
135.04413	30.2
136.07541	9.8
137.05943	8.5
145.04932	10.4
146.05293	2.9
147.04372	9.3
147.08005	2.6
149.05992	2.8
152.05673	9.0
152.07071	9.2
160.07523	2.4
165.05446	12.7
182.08073	9.7
237.12283	2.4
247.05980	2.4
255.14758	2.3
265.12064	2.1
283.13300	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	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01857	2.7
57.03427	7.5
61.02911	10.7
67.05496	1.6
69.03416	22.2
71.04974	3.8
73.02888	3.9
81.03407	7.0
84.08123	0.8
85.02894	100.0
85.06538	7.9
85.86296	0.6
87.04448	1.6
88.06421	0.6
91.03932	4.5
97.02879	24.2
98.97580	0.9
99.04449	5.6
101.61114	0.6
107.04945	1.0
109.02864	9.0
109.39349	0.7
116.98553	1.1
127.03906	18.8
137.06010	0.8
138.26772	0.7
145.04951	24.4
152.06798	10.7
153.07156	8.0
163.05984	9.0
229.10820	0.9
265.12766	1.0
282.15530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2111
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.03920	3.6
54.93630	3.0
55.01867	75.9
55.05505	31.2
56.96557	7.3
57.03423	14.1
67.05495	84.5
67.05855	5.5
69.03410	4.7
69.07047	39.7
70.11144	3.2
71.04975	7.3
71.08617	6.1
71.11608	3.3
73.02917	4.7
79.05473	55.9
81.03367	6.6
81.07036	95.6
81.07478	5.0
83.04974	39.0
83.08622	6.6
85.02883	8.2
89.32346	3.5
91.05463	68.3
93.07021	37.3
95.04955	25.8
95.08581	100.0
97.06509	23.9
97.10122	5.1
98.97557	20.8
99.04448	17.7
99.08074	4.2
101.02358	23.7
105.07005	49.0
107.08568	52.8
109.06503	18.0
109.10133	19.0
111.04428	66.2
111.08044	4.0
116.98614	27.2
117.06960	5.7
119.08579	35.6
121.05034	3.6
121.10172	4.8
123.04351	4.3
123.08035	7.5
123.11743	5.5
125.05987	7.4
129.05463	19.8
131.08559	6.2
133.10098	34.8
134.46136	4.3
134.99658	23.3
137.05956	18.7
137.09595	5.2
143.08527	4.1
145.10060	4.8
151.02768	4.6
151.11188	36.8
161.05093	3.2
161.09583	5.2
165.81438	3.6
169.12192	16.3
179.10751	12.1
192.91144	4.3
197.11746	26.2
205.74803	3.5
210.92107	6.2
211.11169	7.8
240.09105	6.7
245.19125	4.3
252.92838	4.0
253.53549	3.5
263.20020	22.0
277.00677	8.1
281.21075	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.222
Annotation	Methyl aphyllate
Peak:m/z	Relative Intensity
54.50467	0.4
55.01852	1.0
55.05499	7.1
56.96540	1.0
57.03409	0.5
58.91052	0.5
68.05006	3.5
69.07054	0.7
70.06559	3.5
72.08136	100.0
79.05431	0.8
80.04993	26.6
81.07026	1.1
83.08585	2.1
84.07100	0.6
84.54432	0.5
91.05433	1.0
93.06988	0.7
94.06535	3.1
95.08591	0.8
97.10118	1.0
98.97514	2.9
105.06980	1.3
116.49869	0.6
116.98596	1.1
120.08035	1.9
121.08851	1.1
122.09637	27.1
134.09618	17.5
135.10423	0.9
135.11543	0.6
136.11172	1.1
148.11003	0.6
151.02783	0.7
169.19119	0.6
174.12703	2.7
192.13779	12.1
194.15306	0.8
210.14865	17.3
212.16412	1.4
246.18510	12.4
258.16174	0.6
258.25620	0.6
263.20941	1.0
264.19519	39.1
281.13699	1.1
281.22159	43.8
298.01038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2109
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
51.84079	1.0
53.03929	3.0
55.01868	13.4
55.05503	28.7
56.96550	1.8
57.03435	9.9
57.07052	2.0
65.03934	1.3
67.05492	68.7
69.03416	3.2
69.07059	37.3
71.04964	7.0
74.08251	1.6
79.05472	48.8
81.03402	8.5
81.07039	100.0
83.04964	10.3
83.08611	10.6
91.05453	40.1
91.49331	1.5
92.09379	2.7
93.07029	45.9
95.04933	10.0
95.08576	35.4
97.06492	10.3
98.97573	2.9
99.08073	10.5
105.07014	21.7
107.04936	1.5
107.08570	19.9
109.06511	9.6
109.10146	11.4
111.08064	1.8
116.98597	6.1
117.06997	6.6
119.08572	16.6
121.10115	14.2
123.08057	6.9
125.09619	8.6
128.06168	1.5
129.06960	2.5
131.08553	8.3
133.10129	11.4
134.99608	2.4
135.08011	2.0
135.11664	10.6
137.09601	5.6
145.10139	5.5
147.11696	7.8
151.11279	1.8
159.11670	2.7
161.13228	2.6
163.11160	1.5
165.12741	2.1
171.11607	1.9
173.40730	1.3
192.91121	1.5
204.31508	1.4
210.09892	1.3
210.92247	2.9
234.92180	2.0
240.09323	1.6
245.19057	5.2
247.01709	1.3
258.99728	1.5
263.20016	19.3
281.21082	2.3
282.72882	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2109
Annotation	Restrictinol
Peak:m/z	Relative Intensity
55.01633	2.5
55.01868	46.7
55.05504	24.4
56.80984	2.5
56.96545	2.5
57.03397	6.1
57.07042	5.8
62.12989	2.7
63.74831	2.8
65.03876	2.9
67.05489	61.6
69.07054	26.8
69.32483	2.3
71.08620	4.6
75.02799	2.6
79.05479	46.3
81.03378	6.1
81.07036	100.0
83.04968	23.3
85.02891	3.5
85.06520	4.2
87.74289	2.7
91.05466	44.5
93.07027	33.5
95.04960	21.1
95.08594	62.2
97.06509	26.8
97.10161	3.7
98.97572	12.1
99.04412	3.8
99.08039	4.0
101.02367	6.7
104.20338	3.0
105.07011	32.3
107.04907	5.5
107.08580	32.3
108.98248	2.9
109.06544	10.3
109.10136	14.2
111.04445	25.3
114.37054	2.9
116.98617	16.4
117.06969	5.8
119.08550	16.2
123.08038	26.5
131.08531	7.2
133.10098	20.0
134.99617	15.6
135.08054	4.9
147.11707	3.5
149.09549	11.4
151.07513	14.2
151.11165	20.7
161.09543	5.8
163.97621	3.6
169.12219	4.0
179.10715	4.1
192.91020	5.3
197.11699	6.4
207.13864	3.1
210.92140	15.0
212.91615	3.4
217.15822	3.4
227.14339	3.2
234.92101	3.4
240.09109	4.0
252.93114	4.0
263.16351	6.2
263.19998	20.7
281.17801	5.2
281.21057	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2109
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
51.79309	1.3
53.03928	3.8
53.34553	1.3
54.81876	2.1
55.01864	6.7
55.05262	2.6
55.05502	33.2
57.03422	6.7
57.07066	100.0
58.19086	1.9
67.05489	51.8
69.07050	24.1
71.04964	6.2
79.05473	59.7
81.03392	15.9
81.07037	42.6
83.04959	21.9
83.08618	14.7
85.06527	37.6
85.10193	3.2
90.66775	2.1
91.05449	36.2
93.07022	59.5
95.04951	9.5
95.08574	42.5
97.06501	16.3
97.10152	3.1
98.97588	3.5
105.06999	21.8
107.04926	2.8
107.08570	19.2
109.06507	6.4
109.10146	9.9
113.09632	8.0
116.98608	2.4
117.06985	3.8
119.08559	21.8
121.10119	17.6
121.32813	1.8
123.08046	6.8
127.07517	3.1
129.07036	2.0
133.10086	18.6
135.11682	9.7
137.09590	23.5
139.11156	3.8
143.08472	2.0
143.24908	1.7
147.11682	7.3
150.02621	2.0
151.11153	2.0
153.09088	2.8
154.94232	1.7
161.13257	8.4
163.11250	2.3
172.95265	2.4
175.11163	2.5
179.10693	6.7
179.14267	88.2
210.92207	2.1
263.19998	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	281.2109
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.03924	3.5
55.01868	29.0
55.05505	40.2
56.87244	2.1
57.03424	10.2
57.07067	32.3
59.05006	2.5
62.54984	2.4
64.45531	2.1
65.03888	2.3
67.05489	67.4
69.03408	4.2
69.07053	32.1
71.04961	6.4
71.08607	2.9
79.05473	60.5
81.03372	10.1
81.07037	100.0
83.04956	32.8
83.08606	17.3
85.06528	14.6
91.05457	38.9
93.07030	55.0
95.04945	20.2
95.08590	44.9
97.06503	19.5
97.10126	10.4
98.97557	15.2
105.07025	25.8
107.04937	3.1
107.08582	28.3
108.68296	2.9
109.06490	23.7
109.10197	17.6
111.04400	6.3
116.98602	14.7
117.06998	5.8
119.08564	20.2
121.06464	2.4
121.10121	13.8
123.08066	5.6
123.11684	3.7
125.09618	10.5
129.06989	3.4
131.08592	8.6
133.10123	21.2
134.99635	5.7
135.11702	10.2
137.09592	13.8
139.11166	2.6
143.08545	2.9
145.10089	4.2
147.11685	4.0
149.13220	4.1
150.02672	2.6
151.11119	9.7
157.10068	4.0
159.11671	5.5
161.13216	5.6
165.12729	3.1
167.10556	2.9
171.11627	3.2
176.47829	2.6
190.56898	2.7
210.92064	4.7
245.19156	3.1
263.20007	33.1
281.21024	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2108
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.03952	3.1
55.01859	9.7
55.05503	15.9
56.96552	1.5
57.03425	1.5
57.07067	1.7
58.34130	1.1
65.03933	1.6
66.04375	1.2
66.50334	1.2
67.05493	34.3
69.03418	2.1
69.07054	17.1
71.04974	2.8
79.05477	48.9
79.29190	1.3
81.03393	7.3
81.07037	100.0
83.04957	6.6
83.08598	1.5
85.06526	2.0
91.05463	22.0
93.07011	25.0
95.04950	7.0
95.08589	25.3
97.06516	6.5
98.97556	7.0
99.08094	2.9
105.07002	13.4
107.04932	3.1
107.08602	13.9
109.06510	26.7
109.10162	6.9
111.04430	1.4
111.08167	1.5
115.05450	1.5
116.98612	6.9
117.06973	7.6
119.08572	18.4
121.06516	3.1
121.10122	9.3
123.08015	6.1
123.11666	1.6
125.09647	1.6
129.07030	5.6
131.08556	6.9
132.20816	1.5
133.06546	1.5
133.10117	6.6
134.99632	2.9
135.08054	3.2
135.11707	3.3
143.08530	2.1
145.10214	1.6
147.08017	6.2
147.11703	6.0
157.10204	1.9
159.11684	1.5
161.09613	3.3
161.13295	1.6
163.11105	1.5
171.11594	1.8
175.11292	1.6
175.83434	1.2
245.19028	2.2
263.16354	7.7
263.19992	9.8
277.00781	1.9
281.21008	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	281.1745
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
50.68401	1.4
53.03934	2.5
55.01865	29.3
55.05504	19.6
55.37640	1.6
56.96572	1.8
57.03431	8.7
59.14486	1.5
64.59013	1.5
67.05495	37.2
69.03413	2.9
69.07053	100.0
71.04976	3.5
73.06537	10.4
79.05472	62.0
79.89833	1.7
81.03392	36.8
81.07037	91.7
83.04978	10.2
83.08588	2.7
85.02888	7.4
85.06518	1.8
91.05458	44.8
93.07018	37.2
95.01302	2.1
95.04951	10.1
95.08579	25.7
97.02853	2.0
97.06515	25.7
98.97554	2.6
99.04433	2.1
99.08026	2.1
99.76796	1.9
105.07006	24.4
107.04931	7.4
107.08578	37.6
109.06478	17.6
109.10143	10.6
111.04434	7.0
116.98558	2.8
117.07002	10.0
119.08549	30.0
121.06484	11.6
121.10096	14.9
123.08041	36.6
125.05976	13.2
125.09609	29.8
129.06979	7.0
131.08521	10.4
133.06461	2.4
133.10133	9.0
134.99648	2.3
135.08044	9.8
137.05977	2.8
137.09586	23.8
143.07004	18.1
143.08571	3.9
145.10135	2.7
147.08046	13.9
147.11688	2.5
149.09608	10.2
151.02802	3.3
153.09064	24.4
157.10123	8.6
159.11642	1.9
161.08173	2.4
161.09543	6.6
161.13255	2.1
163.11099	2.6
165.09065	23.3
172.26952	1.6
179.56741	1.9
181.08530	3.2
183.10100	2.1
183.18069	2.0
185.01712	1.8
189.38255	2.5
199.14825	8.6
217.15822	12.4
221.09480	1.9
235.07469	1.7
239.78706	1.8
245.15285	18.2
249.09077	3.3
263.16391	21.6
281.11554	2.8
281.17352	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	281.2107
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
55.01862	64.8
55.05508	35.1
57.03418	11.3
57.07059	4.0
59.13729	2.7
64.48055	2.8
67.05488	78.7
69.03413	3.0
69.07060	38.0
69.72607	2.5
71.04973	15.6
73.02901	11.7
78.17267	2.8
79.05479	49.5
81.03409	5.1
81.07035	96.4
83.04971	36.3
83.08598	12.4
85.02878	12.9
85.06541	3.9
91.05460	59.5
93.07022	38.5
95.04961	24.6
95.08581	100.0
97.06536	22.3
98.97584	6.8
99.04443	5.0
101.02345	13.5
105.07016	52.6
107.04910	2.9
107.08569	69.3
109.06541	9.8
109.10125	31.2
109.62167	2.9
111.04423	67.4
111.08075	4.0
116.98594	5.5
117.07015	5.8
119.08552	27.6
121.10129	16.3
123.08028	4.0
123.11668	11.3
125.05997	13.3
129.05476	15.8
131.08559	6.8
133.10094	43.6
135.08041	5.3
135.11658	4.2
137.05937	18.5
137.09549	11.1
143.08578	5.9
145.10133	4.5
147.11678	4.5
149.09615	6.4
151.11143	29.3
155.04297	2.9
157.10088	3.0
159.10149	3.1
159.11732	4.3
161.09599	6.1
167.10622	3.8
169.12253	15.1
171.11676	4.9
179.10641	15.3
197.11685	22.9
210.92102	5.9
244.99937	3.7
245.18925	12.4
263.19946	31.9
281.21106	52.8
300.91971	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03928	11.3
53.29751	1.4
55.01852	3.8
55.05264	2.5
55.05504	43.1
57.03428	42.2
57.04835	1.6
57.07059	2.0
65.03928	2.2
67.05494	84.5
67.08308	1.4
69.03407	7.4
69.07057	14.5
71.04962	2.2
76.61594	1.5
79.05476	100.0
81.03411	12.7
81.07040	72.1
83.04965	45.1
83.08599	3.2
91.04885	2.8
91.05458	73.9
93.07022	65.6
95.04936	27.5
95.08591	41.5
97.06535	4.3
97.10155	3.2
98.97530	3.3
105.07014	49.6
107.04925	9.7
107.08575	19.5
109.06509	9.2
109.10152	8.7
111.04436	2.0
117.06978	12.1
119.08568	29.4
121.06459	2.3
121.10118	3.6
123.08041	4.4
123.14356	1.8
128.06187	3.3
129.06944	17.2
131.08557	2.3
133.10147	12.9
135.08063	5.7
135.11710	1.9
143.08543	7.4
145.10136	10.4
147.08018	2.0
147.11687	19.9
151.60103	1.8
161.09616	2.5
161.13168	3.0
171.11649	20.1
189.12721	3.2
207.13774	10.1
281.17432	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.04081	1.0
53.03945	11.1
55.01855	7.2
55.02090	0.9
55.05507	44.7
57.03430	39.7
57.07066	1.5
65.03922	5.4
67.05495	89.2
69.03429	2.2
69.07053	15.9
71.04967	2.7
72.64084	1.3
79.05478	100.0
81.03410	18.0
81.07043	73.7
83.04970	39.9
83.08611	5.1
85.02866	1.5
85.06539	1.7
91.05468	69.5
93.07027	62.7
95.04954	35.0
95.08002	2.0
95.08590	36.6
97.02848	1.4
97.06493	5.3
97.10137	5.1
100.43319	1.2
103.05424	1.6
105.04518	1.3
105.06364	2.4
105.07017	45.1
107.04940	8.8
107.08585	15.2
109.06490	6.1
109.10167	5.7
111.19656	1.2
117.06981	11.9
119.08564	30.1
121.06480	2.7
121.10081	2.8
123.08058	5.4
128.06216	1.9
129.06990	13.2
130.07768	1.5
131.08528	1.5
133.10104	12.1
135.11752	1.4
143.08548	9.3
145.10097	10.1
147.11664	23.9
161.13228	9.2
171.11673	18.0
174.52818	1.1
184.33685	1.4
189.12651	6.3
207.13791	8.5
217.15715	1.2
231.34676	1.3
281.17419	47.4
290.26691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
50.88586	0.8
51.00335	0.7
53.03940	3.5
55.01867	23.2
55.05503	8.0
57.03419	4.1
59.68745	0.8
67.05497	12.9
69.03410	1.8
69.07050	5.4
71.98614	0.9
79.05000	1.1
79.05471	37.5
81.03383	3.5
81.07038	100.0
83.04961	7.7
83.08626	1.1
85.02888	10.4
88.25919	1.0
91.05463	25.5
92.09328	2.6
93.07021	37.0
95.04953	8.9
95.08590	11.8
97.06516	1.3
97.10147	4.1
99.04462	1.5
105.04489	1.3
105.07011	11.1
107.04942	3.4
107.08562	20.2
109.06499	50.9
109.10146	2.0
111.04445	5.2
115.05432	1.1
117.06990	7.9
119.08551	10.2
121.06461	9.4
121.10137	1.4
123.08053	9.7
125.09604	35.5
128.06232	1.1
129.06990	5.9
131.08589	7.7
133.10147	4.1
135.08026	5.7
137.05972	1.1
137.09563	2.1
143.08548	4.6
145.10139	1.9
147.08002	3.7
149.09616	3.3
153.09085	29.1
157.10103	6.1
161.09602	1.3
165.09087	5.9
171.11685	1.1
173.13217	4.5
181.08582	5.2
199.09639	1.0
199.14774	12.9
201.16205	1.9
217.15831	18.9
227.14238	0.9
245.15236	2.2
263.16339	4.4
263.20053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	0.9
55.04250	2.2
56.96560	0.9
69.03405	0.3
72.08154	0.3
76.56133	0.2
79.79353	0.2
81.04045	0.4
81.04527	12.8
82.04818	0.3
82.05305	7.9
82.05774	0.4
84.23766	0.2
85.02880	0.6
86.95831	0.2
87.02377	0.2
88.64363	0.2
97.02866	0.2
98.97559	1.0
108.05598	1.2
110.07159	0.4
116.98620	0.5
122.07136	15.2
123.07912	100.0
134.99605	0.2
136.06154	0.3
137.06027	0.3
149.02280	0.4
160.04254	1.0
165.07681	5.0
181.78320	0.2
227.02231	0.4
233.44896	0.3
251.09647	0.3
276.10229	0.2
281.10617	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90651	1.4
55.05505	3.2
56.96574	1.7
57.05509	1.3
57.07053	1.4
64.32761	1.8
67.05489	2.1
73.34222	1.7
79.05478	2.0
81.07051	2.8
83.08579	1.9
92.08712	3.7
93.07037	2.8
98.97580	4.4
116.98610	2.8
134.99707	2.0
136.07594	2.1
138.09114	4.1
149.02347	2.3
150.02666	3.4
151.02789	2.5
281.13574	100.0
285.12366	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	280.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97945	3.5
55.01849	7.5
55.05505	100.0
56.96553	15.3
57.03410	6.2
57.07055	6.5
58.08849	3.0
59.04961	4.9
67.05487	68.8
67.26260	3.3
69.03413	6.7
69.07040	6.2
70.06566	4.8
79.05456	21.6
81.03403	2.9
81.07048	29.1
82.44975	2.9
83.04956	14.0
83.08603	25.6
85.02872	19.8
85.51791	3.1
87.04453	7.5
87.21097	3.1
91.05443	20.8
93.07006	21.4
95.08579	7.7
97.06509	3.7
97.10163	28.8
98.97537	19.7
105.06995	7.4
107.04907	3.2
107.08561	18.0
109.10141	42.0
111.04404	3.6
116.98563	13.5
119.08616	7.4
120.08074	5.7
121.02811	6.3
121.08862	4.9
121.10105	12.1
123.61256	3.6
125.09627	27.9
125.10426	3.6
131.08577	3.7
134.99655	5.7
135.11624	4.8
141.88800	3.2
145.10115	3.7
146.09605	14.3
146.99568	3.3
148.11133	13.5
149.02322	53.1
150.02649	58.2
163.11098	5.1
173.09464	3.7
173.11739	29.4
174.12733	6.1
176.14330	6.9
177.00691	4.4
191.10536	5.5
208.11517	6.9
209.11697	16.0
227.12657	14.1
236.14586	14.7
237.02837	5.2
239.08934	19.5
244.11153	3.4
257.06604	3.6
280.13562	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1906
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
53.03928	0.4
54.81143	0.3
55.01847	0.4
55.05484	1.1
56.05025	0.3
57.03414	0.4
57.07046	0.2
67.05153	0.4
67.05495	10.9
68.05009	1.1
69.03059	0.4
69.03417	5.9
69.07047	0.6
70.06571	6.4
71.04913	0.3
71.46540	0.3
76.55433	0.3
79.05049	0.5
79.05479	7.9
80.04978	0.5
81.03395	1.2
81.07037	8.6
82.06525	0.3
83.04941	0.3
83.08601	0.5
86.06055	19.2
91.05467	3.6
93.07030	5.9
94.06537	0.6
95.04948	2.2
95.08587	2.3
96.08118	9.2
97.06518	0.5
98.06036	15.8
105.07015	1.9
107.04957	0.3
107.08596	2.4
109.10139	0.3
112.07576	1.2
117.07027	2.4
119.08567	0.3
121.10090	0.6
122.09639	0.3
124.07572	18.3
131.08563	2.4
133.10153	0.4
135.11687	0.5
149.02335	1.6
149.13200	0.5
150.02678	2.1
150.09158	1.8
156.05128	0.3
159.11684	2.5
175.21635	0.3
177.12717	100.0
233.13208	0.3
239.08838	1.9
257.12973	0.3
262.17963	5.8
280.19086	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
52.12204	0.3
53.03933	0.4
53.39512	0.4
55.01857	0.4
55.05504	8.0
57.07060	1.0
57.63650	0.4
65.03928	2.8
67.05491	100.0
69.07051	7.2
79.05471	13.6
79.10243	0.4
81.07039	78.9
83.04971	0.5
83.08596	3.9
85.06551	0.5
91.05464	3.5
93.07026	10.4
95.04951	0.9
95.08582	62.5
97.06526	0.8
97.10169	0.8
105.07006	3.0
107.08575	7.3
109.06518	0.5
109.10146	15.8
109.10859	0.8
109.40139	0.4
119.08591	1.9
121.06574	0.4
121.10119	5.5
123.08014	0.5
123.11682	8.2
131.08521	4.7
133.10112	0.8
135.11700	2.5
137.13225	6.1
145.10152	1.0
147.11722	1.1
149.02322	18.5
149.03455	0.7
149.09601	0.9
149.13271	2.5
151.14832	2.0
159.11685	1.0
161.13199	0.6
173.13213	3.2
173.21690	0.4
177.12712	0.7
181.12300	0.7
187.14766	1.0
195.13892	0.8
199.67905	0.5
209.15382	1.0
217.23647	0.5
223.16997	0.8
239.09120	0.6
243.21040	0.8
261.22101	0.9
279.23090	13.5
279.26007	0.5
294.26559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96243	1.6
53.03932	3.0
55.01861	8.2
55.05504	21.0
56.96555	7.3
57.03426	8.0
57.07070	3.1
59.04983	1.9
67.05492	55.0
67.58888	1.6
69.03410	9.2
69.07055	19.9
70.06578	3.7
71.04978	7.9
73.02895	2.6
73.73359	1.9
79.05475	50.2
81.03400	11.5
81.07042	33.5
81.34780	2.1
83.04975	19.2
83.08610	9.9
84.08128	2.3
85.02884	9.9
87.04445	1.8
91.05454	29.0
93.07023	48.2
95.04956	14.6
95.08582	17.2
97.02878	32.6
97.06522	11.3
97.10167	3.1
98.97567	3.4
100.30501	1.8
103.11221	2.0
105.06998	16.8
107.04936	14.4
107.08582	35.3
109.06489	3.1
109.10150	18.1
111.04443	23.3
111.08112	2.6
115.78098	1.9
117.07014	11.2
119.08540	20.3
121.06426	3.1
121.10130	55.0
121.10986	3.1
123.04417	4.4
123.08069	8.6
123.64400	2.1
125.05972	7.4
129.06982	7.8
131.08522	22.2
135.07996	2.0
135.11655	13.7
137.05966	8.3
137.09572	3.2
139.11186	9.8
140.78676	1.8
145.10086	22.8
147.08054	3.3
149.02298	21.7
149.09590	17.0
150.02678	18.9
151.11093	2.1
155.08562	2.0
163.11174	21.2
167.10670	11.5
171.82492	2.0
173.09628	8.8
173.11713	10.5
176.04718	2.2
181.12248	3.8
181.89111	2.0
191.10670	26.4
209.11696	100.0
227.12714	36.3
233.21629	1.8
239.08896	2.4
262.16370	3.8
280.19092	4.5
285.98001	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.32211	0.5
53.03946	0.6
53.15118	0.6
55.05506	10.5
56.19821	0.6
57.07067	3.7
65.03918	2.6
67.05492	100.0
69.07053	8.1
79.05479	10.0
81.07040	93.7
81.07536	1.5
83.08607	3.7
85.06566	0.6
89.03056	0.6
91.05436	4.3
93.07025	9.7
93.45422	0.6
95.08589	67.8
97.06546	0.8
97.10169	1.2
105.07021	3.3
107.08575	6.1
109.06608	0.8
109.09398	1.2
109.10142	33.7
119.08551	3.2
121.02831	1.6
121.10163	4.5
123.08079	1.1
123.11679	16.0
131.00633	0.7
131.08530	2.7
133.10107	1.4
135.11700	3.6
135.74318	0.7
137.13243	5.5
145.10132	1.5
145.50000	0.7
147.11679	1.2
149.02322	30.4
149.03459	1.2
149.13255	1.5
151.14799	0.8
159.11702	1.0
161.13283	1.0
165.12701	0.7
173.13298	1.1
187.14764	1.0
191.14336	0.8
195.13760	0.7
195.22916	0.6
209.15315	0.9
219.05670	3.6
223.16994	0.9
239.08894	0.9
243.21117	1.3
261.22043	2.4
279.09232	1.4
279.23099	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
53.27645	1.0
55.01865	23.9
55.05499	27.9
57.03428	10.0
57.07062	5.4
59.24226	1.3
64.33919	1.1
65.03927	2.6
67.05491	49.9
69.03408	2.5
69.07050	50.0
71.04972	5.8
75.99403	1.2
79.05471	69.9
81.07035	59.2
83.04984	10.9
83.08597	3.1
85.06580	1.5
91.05460	24.4
92.08599	2.7
93.07021	73.1
95.04939	10.7
95.08581	56.4
97.06506	13.0
105.07004	13.6
107.04943	5.2
107.08562	17.0
109.06515	1.5
109.10149	2.4
111.04423	2.1
111.08095	2.8
117.06999	6.0
119.08578	5.4
121.02853	2.5
121.06503	6.1
121.10114	26.4
123.08015	2.2
129.07022	1.3
131.08530	3.3
133.10165	2.9
135.08026	2.0
137.06006	1.8
139.11115	12.3
145.10072	2.2
145.66061	1.5
149.02319	100.0
149.09558	2.4
159.11713	1.6
167.03389	2.1
167.10674	2.4
185.11703	1.9
197.11761	1.4
210.92204	2.5
229.44626	1.4
239.08765	2.2
261.18414	6.7
274.99588	1.4
279.19473	16.3
282.50275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
51.92413	1.1
53.03921	1.8
54.20862	1.0
55.01866	13.4
55.05505	27.7
57.03420	4.7
57.07053	8.0
59.04998	1.1
65.03905	1.3
65.83725	1.1
67.05144	2.3
67.05492	61.6
69.03407	6.8
69.07051	14.8
69.91300	1.3
70.60017	1.1
71.04966	3.0
79.05469	38.3
79.31983	1.1
81.03381	2.1
81.07035	52.5
81.89916	1.3
83.04962	9.1
83.08593	10.4
85.06518	1.5
88.66584	1.1
89.00875	1.1
91.05463	32.0
93.07021	40.1
95.04948	22.0
95.08584	50.3
95.97128	1.2
96.13882	1.2
97.06509	5.7
97.10095	2.0
98.97519	2.1
105.04527	1.3
105.07010	33.0
107.04927	15.9
107.08577	27.3
109.06499	14.5
109.10143	28.4
111.08060	2.0
111.11600	1.3
117.06993	10.4
118.12317	1.2
119.08553	21.7
121.02850	2.8
121.06503	10.3
121.10101	13.1
123.08048	10.7
123.11684	3.0
125.09543	1.9
128.62050	1.1
129.06967	1.8
131.08531	20.4
133.06511	2.8
133.10109	20.1
135.08032	12.1
135.11746	8.4
135.12573	1.3
137.09592	23.6
143.08536	2.4
145.06442	2.2
145.10074	13.6
147.08025	7.8
147.11673	6.5
149.01120	2.5
149.02319	76.9
149.09634	13.9
149.13274	1.4
155.08524	2.5
157.10088	1.4
159.08049	8.6
159.11603	8.9
161.09607	5.3
161.13191	1.5
163.11127	6.4
171.11691	1.5
173.09528	1.7
173.13246	2.7
175.11102	1.4
176.15062	1.3
176.18408	1.2
177.12706	1.5
178.19038	1.3
183.11684	1.5
187.11139	5.2
192.91109	1.5
201.12753	1.8
201.16354	2.3
207.13786	1.7
215.17921	2.5
215.89067	1.2
219.05743	1.4
225.16306	1.6
233.18971	6.4
243.17326	11.4
261.18423	100.0
279.09509	1.9
279.16342	1.6
279.19424	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	279.1703
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
55.01864	0.4
55.05518	0.5
56.96553	0.4
57.03427	0.6
57.07069	2.7
61.68284	0.3
65.03929	0.3
66.53543	0.3
67.05505	0.3
69.07058	0.7
72.08156	0.6
79.05488	0.6
81.07049	0.4
85.02901	0.4
86.09691	65.0
91.05468	1.5
92.08665	0.7
93.07027	2.2
95.04933	0.6
97.06499	3.2
98.97567	2.1
99.04515	0.4
103.05442	6.8
105.07019	0.7
107.04863	0.4
116.98557	0.5
117.07021	0.6
118.06576	0.3
120.08082	100.0
121.02859	3.0
121.03773	0.3
123.04395	1.3
129.06964	1.5
131.04919	2.3
132.10170	0.7
133.06496	0.4
137.05954	0.7
141.06960	0.5
145.06496	0.7
147.04413	0.6
149.02321	48.2
153.06978	0.4
153.21378	0.3
155.08589	0.4
157.06482	1.7
160.05164	0.5
161.02693	0.4
161.05983	0.6
163.07474	0.5
165.06963	0.4
166.08609	4.2
167.03261	0.5
169.06453	0.4
171.08011	0.4
174.06808	0.6
175.07536	0.6
177.09094	0.5
181.06441	1.7
183.08015	0.3
187.07494	3.5
189.09045	0.7
191.07033	1.9
193.04956	1.9
196.10860	0.3
201.09023	0.6
205.08572	2.2
213.09143	0.5
215.10619	0.7
217.08667	0.7
233.16354	0.6
235.09521	0.7
243.10182	1.4
261.11203	0.7
279.12332	0.5
279.17001	5.5
298.29205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1952
Annotation	Fenoksan
Peak:m/z	Relative Intensity
53.03923	0.9
55.01669	0.7
55.01867	9.9
55.05502	4.8
57.03409	1.6
57.07061	4.7
65.03934	1.2
67.05500	15.1
69.07053	6.0
79.05477	15.1
81.03383	4.2
81.06596	1.5
81.07039	29.3
83.04954	4.6
83.08614	1.2
85.02902	0.9
91.05466	11.6
93.07030	9.6
95.04941	6.6
95.08579	9.5
97.06541	1.6
101.02316	2.9
105.07030	14.3
107.04948	3.3
107.08591	5.8
109.06528	8.9
109.10133	5.6
111.04420	7.7
116.98621	1.6
117.07001	3.2
119.08588	6.3
121.02824	7.7
121.06471	1.0
121.10136	1.4
123.08040	3.8
123.11693	1.0
125.05883	0.9
129.05447	1.0
131.08533	1.6
133.06468	1.9
133.10115	6.9
135.08055	4.1
135.11699	1.3
137.09604	1.7
145.10141	1.3
149.02328	100.0
149.09567	3.5
151.07484	1.0
151.11174	6.5
161.09511	1.3
167.03471	1.5
169.12296	2.0
179.10641	1.5
197.11708	3.1
219.05760	1.5
261.18478	6.1
279.09213	1.5
279.19534	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	279.0931
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.02358	0.2
51.74564	0.2
53.03922	1.0
56.96531	0.2
57.07070	1.5
65.03906	0.3
67.05499	2.5
77.03921	0.5
79.05477	0.3
81.07014	0.9
83.59679	0.2
91.05468	0.4
93.03413	0.2
95.00469	1.1
95.04949	5.2
98.97552	0.3
105.04544	0.3
105.07011	0.4
111.36336	0.2
112.34464	0.2
116.98575	0.2
121.02875	1.7
122.99859	0.3
128.06198	0.4
129.06969	1.2
141.00978	1.4
147.03647	0.2
149.02324	25.1
154.07684	0.4
167.03346	0.3
171.03557	1.5
173.05135	9.7
183.03581	1.6
201.04607	11.4
219.05664	100.0
220.05884	0.3
236.77562	0.2
261.18497	0.2
279.09280	80.5
292.61545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21714	0.4
54.81582	0.4
55.01866	2.0
55.05504	0.5
56.05023	0.9
56.96548	1.9
57.03421	1.9
57.07066	4.1
58.06305	0.7
58.06589	16.4
59.07370	8.5
60.08152	27.0
61.02910	2.3
61.38330	0.4
65.03939	1.7
67.97351	0.4
69.03415	5.4
69.23774	0.4
69.51289	0.4
70.06589	1.7
71.01334	0.7
71.04975	1.1
72.08136	2.7
73.02899	2.5
81.03393	1.9
83.04989	0.8
84.04491	3.1
84.08150	1.0
85.02893	13.0
85.06524	1.7
91.05469	0.6
92.04977	0.6
95.01326	0.9
95.04933	0.7
95.06047	0.8
97.02866	3.0
98.06018	0.8
98.97574	2.4
99.04449	3.0
102.05556	0.5
109.02892	0.9
110.07162	4.5
115.02136	5.2
116.07046	2.4
116.98606	2.7
117.03708	2.8
117.05485	2.1
117.07432	0.7
119.04961	0.5
120.04455	2.1
120.08057	1.0
121.02842	6.1
121.04000	0.6
122.31812	0.5
127.03913	0.9
127.34909	0.4
130.02846	1.9
130.06499	12.9
130.08664	0.5
132.04466	1.9
134.99628	2.0
139.03835	0.6
145.04953	0.6
146.05994	22.8
147.04399	0.7
148.03915	100.0
148.07520	3.1
149.02322	82.7
156.04369	1.9
158.05974	6.5
158.99733	0.5
164.26683	0.6
166.04979	0.6
167.03384	1.9
170.05255	0.6
174.05457	13.4
176.07086	0.8
177.00624	1.0
177.05534	0.7
184.03902	3.4
187.07487	0.7
188.45703	0.5
189.11539	0.5
202.04898	4.5
220.06000	5.4
234.11148	0.6
261.12277	2.2
279.13333	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	278.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57485	0.6
53.03941	0.5
54.81979	0.5
55.01860	1.4
55.05503	7.9
56.05030	6.2
57.03412	1.4
57.06842	0.5
57.07066	7.1
58.06590	9.2
59.04990	7.2
59.97971	0.4
60.04504	3.0
61.02919	0.8
65.03913	0.8
67.05494	14.8
68.05018	0.7
69.03435	0.8
69.07064	4.7
69.66035	0.5
71.04981	16.0
71.08612	4.7
72.08144	1.4
74.06055	6.7
79.05479	15.4
81.03401	18.9
81.07037	19.0
83.04965	8.1
83.08607	7.7
85.02888	1.1
85.06519	2.7
86.06042	4.9
87.04437	2.5
87.10320	0.5
88.07612	51.8
89.06039	0.9
90.04572	0.6
91.05462	22.3
92.08720	0.7
93.07025	12.4
95.04942	7.7
95.08590	5.8
97.06522	5.0
97.10153	1.0
100.07611	0.9
104.07080	4.7
105.07024	12.9
107.04919	2.7
107.08585	14.8
109.06494	3.4
111.08062	3.3
113.05991	0.6
115.05404	1.2
117.07056	0.5
118.08605	1.1
119.08550	9.9
121.10125	11.2
123.08024	1.4
123.11685	0.9
124.37376	0.5
129.06960	6.9
131.08539	14.2
132.10168	15.3
133.06483	0.9
133.10101	17.0
142.07744	1.2
147.08000	1.1
147.11671	13.7
149.09612	15.2
151.11006	0.5
157.10095	13.1
162.11218	3.5
165.12724	1.1
166.10713	3.1
167.10649	3.4
175.11153	15.8
185.08260	0.7
186.18500	62.8
193.12213	24.5
194.32225	0.7
197.15411	2.4
197.52730	0.6
198.18474	1.0
199.13274	2.3
211.13255	70.5
215.71632	0.6
225.14812	6.4
230.18962	1.2
230.21120	23.3
243.15862	1.1
260.22079	1.4
278.23199	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	278.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01861	3.0
55.05508	22.0
56.05022	1.9
56.96563	1.9
57.03426	6.4
57.07063	2.9
59.04990	7.4
67.05494	64.5
69.07067	12.8
70.02928	2.3
70.06586	2.1
71.04977	12.3
73.06536	1.6
79.05481	24.3
80.05030	2.2
81.03407	29.8
81.07042	100.0
83.04969	20.2
83.08617	10.2
85.02907	2.0
85.06523	12.8
87.03989	1.6
87.04459	13.3
91.05467	41.2
92.63795	1.7
93.07029	17.8
95.04958	28.7
95.08585	17.4
97.06529	8.1
97.10148	2.5
98.97583	3.6
99.04459	1.7
100.88534	1.5
105.07021	38.3
107.04939	2.8
107.08588	21.9
107.26639	1.8
109.06509	9.3
109.10133	18.4
111.04425	1.9
111.08043	6.5
113.05998	2.4
116.98615	1.9
119.08569	17.7
121.10147	6.7
123.08076	3.0
123.11696	12.1
129.07007	8.8
131.08560	9.0
133.10123	28.5
135.11693	3.1
142.07710	2.0
145.10089	2.1
147.11639	12.9
149.01253	2.1
149.02295	12.4
149.09647	1.7
151.11174	7.4
152.10625	1.5
157.10130	7.8
165.12744	1.7
169.12299	2.0
175.11160	11.7
182.15442	3.9
187.13316	9.8
193.12239	34.9
210.14830	23.8
211.13295	18.9
225.14867	8.3
228.15923	43.8
228.18106	2.1
229.14397	2.3
243.15881	7.3
272.25763	1.7
278.25961	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1749
Annotation	8alpha-Hydroxylycothunine
Peak:m/z	Relative Intensity
50.36827	0.9
53.03926	1.0
54.81529	1.1
55.05505	14.1
57.03426	19.3
57.07059	1.0
60.46516	1.0
67.05481	1.8
69.03394	2.0
71.25386	1.0
80.04995	2.8
82.06547	2.2
87.03960	1.5
87.04460	35.3
91.05462	1.5
93.07006	2.3
94.06562	24.1
95.08612	1.2
103.45287	1.2
105.06990	1.3
106.06573	2.1
107.07274	1.5
108.08068	1.4
117.06980	1.5
118.06488	1.5
119.08562	2.3
120.08102	13.6
122.09668	12.9
130.06454	1.2
131.08461	1.3
131.70148	1.1
132.08073	2.8
134.09621	17.2
135.10641	1.1
136.07541	5.3
136.11212	12.9
146.09607	5.2
148.07532	12.9
148.11148	1.4
149.02321	5.4
149.08357	6.8
150.09126	14.0
153.43700	1.1
156.16292	1.2
160.11218	12.1
161.08339	4.8
162.09105	31.2
166.08580	4.9
167.87173	1.1
174.12798	1.5
178.08548	1.4
180.10165	13.5
188.10683	18.3
190.12242	33.6
192.10181	6.1
192.13783	1.5
200.10658	1.3
202.12238	2.4
204.13812	7.4
206.11743	46.9
208.13277	14.3
214.16008	1.3
218.11729	25.6
220.13266	1.7
222.14876	14.0
232.98503	1.3
236.12790	17.4
242.15350	5.9
254.58493	1.4
260.16409	25.3
277.28104	1.8
278.17459	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03944	2.4
54.81406	1.1
55.05509	22.1
56.89090	1.2
57.07053	1.7
58.92250	0.9
65.03905	1.2
67.05151	1.5
67.05496	29.2
69.07053	18.9
79.05476	78.4
81.07042	30.6
83.08594	6.2
85.06508	1.6
86.76274	1.1
91.05460	36.2
92.09294	1.6
93.07026	100.0
95.04949	11.1
95.08589	19.7
97.10159	4.7
105.06995	12.1
107.08582	42.0
109.10136	6.4
119.08592	8.5
121.10123	27.8
128.32620	1.2
129.06963	1.3
133.10126	6.7
135.11682	26.6
145.10046	1.9
147.11687	2.3
149.13232	7.0
151.42766	1.2
159.11661	1.2
161.13214	1.3
163.14784	1.7
169.31003	1.3
170.27112	1.4
173.13255	1.3
199.14897	1.2
199.82042	1.4
209.74730	1.4
247.45074	1.3
274.28802	1.4
277.21570	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	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
55.01865	100.0
55.05508	48.8
55.93344	2.9
57.07058	4.1
58.25901	3.0
63.80317	2.9
67.05489	55.2
69.07051	17.3
71.08610	4.6
79.05482	40.7
81.03381	3.8
81.07030	55.4
83.04955	12.0
83.08598	17.5
90.85315	3.1
91.05463	36.2
91.32622	3.1
91.36566	3.5
93.07018	53.4
95.04946	6.6
95.08585	39.6
96.99091	3.5
97.06513	7.8
105.07010	28.1
107.08565	25.0
109.10129	8.4
111.08053	54.3
117.02736	3.0
119.08548	15.0
121.10091	14.8
123.08080	3.6
131.08617	3.6
133.10101	16.1
135.11638	5.9
141.92999	3.0
147.11670	5.4
149.13293	4.2
161.13237	6.2
165.12814	6.6
175.14758	5.7
259.20410	3.8
277.21521	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03947	3.1
55.01860	3.5
55.05503	26.6
57.07071	2.5
58.80810	1.2
67.05496	39.1
69.07056	23.4
71.04966	3.0
79.05474	63.9
81.07037	41.4
83.04970	1.9
83.08614	13.3
83.82870	1.4
85.06561	1.6
91.05460	34.2
93.07022	100.0
95.04938	8.3
95.08582	34.7
97.06495	2.7
97.10197	2.1
105.04448	1.6
105.07017	20.3
107.08573	45.4
109.06510	3.0
109.10149	9.8
109.13993	1.6
111.08086	2.0
117.07006	2.2
119.08579	16.1
119.81602	1.4
121.10119	34.1
131.08525	2.7
133.10130	11.0
135.11674	26.9
145.10146	3.5
147.11687	8.3
149.13246	10.0
157.10085	1.8
161.13245	2.1
165.12674	2.3
185.13222	1.9
206.31291	1.7
207.53482	1.6
241.19463	1.7
259.20456	3.0
276.27985	6.8
277.21555	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	14,15-Dehydrocrepenynic acid
Peak:m/z	Relative Intensity
55.05505	28.7
56.96557	3.3
57.07059	16.3
59.61625	3.3
67.05492	37.2
69.07050	28.4
71.04971	6.6
79.05475	20.5
81.07037	25.6
85.06523	100.0
91.05451	25.4
92.09331	5.6
93.07018	25.7
95.08576	56.7
97.06524	4.7
105.07021	56.8
107.08554	31.1
109.10138	19.1
111.08047	3.2
113.09635	32.4
117.07030	10.2
119.08559	78.0
121.10121	19.3
123.08048	3.3
125.09612	3.6
128.06230	6.3
129.06984	5.2
129.87920	3.0
131.08540	45.8
133.06456	3.8
133.10120	39.8
135.11639	5.8
142.07782	12.5
143.08540	30.9
144.19626	3.6
145.10098	49.4
147.11668	54.1
156.09317	15.9
157.10107	35.3
159.11674	36.9
161.13242	7.8
163.03876	4.0
170.10851	6.6
171.11676	43.3
173.13223	14.6
175.14819	12.5
180.70926	3.6
184.12445	4.3
185.13220	43.0
186.13930	3.4
189.12729	5.7
191.03218	3.9
197.13264	13.2
199.14755	17.7
201.16353	52.8
203.14311	19.8
211.14755	7.5
237.06381	3.3
241.19530	41.0
259.20490	74.6
277.15189	4.9
277.18320	4.8
277.21579	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30038	1.7
53.00299	1.6
55.01869	2.2
55.05507	26.0
56.96524	1.4
57.07068	82.3
57.33682	1.5
58.07406	7.8
65.03933	1.6
67.05487	30.8
69.07050	18.3
70.06586	18.0
70.82686	1.5
70.99020	1.6
71.04970	2.3
71.06916	9.8
71.08617	7.4
72.08945	3.0
76.60430	1.8
79.05476	49.4
80.56285	1.5
81.07034	37.8
83.08614	9.6
88.07620	16.8
89.07953	14.6
90.08070	3.0
91.05462	20.6
92.08660	1.9
93.07022	64.7
93.07568	3.1
95.04945	12.5
95.08581	23.9
97.06532	2.7
102.09163	2.8
105.07000	18.4
106.08656	3.5
107.08549	35.9
108.09078	6.8
109.06501	2.8
109.10136	11.7
111.08055	1.9
119.08564	16.0
121.10130	30.6
123.04417	2.6
129.06944	2.5
131.08536	3.2
133.10123	7.9
135.11700	23.9
137.13240	2.1
145.10165	2.1
147.11700	7.8
148.31429	1.9
149.13248	9.7
154.42235	1.8
161.13229	2.1
163.14793	2.8
169.03450	2.7
177.12688	2.8
179.10645	32.4
181.80235	1.7
184.47748	1.7
185.13237	2.3
219.13817	6.8
235.16881	91.1
258.26849	9.4
259.27252	2.5
276.27988	100.0
277.17941	55.1
277.21594	49.5
277.28223	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
54.81495	2.9
55.01870	15.1
55.05512	32.4
57.03429	3.2
57.07072	5.9
65.44031	2.1
67.05495	61.7
69.07058	18.9
71.08621	14.4
79.05472	65.4
79.05899	3.1
81.03432	3.2
81.07045	61.0
83.04969	3.1
83.08633	5.0
85.06553	4.4
91.05468	49.8
93.07025	100.0
95.04979	18.0
95.08585	37.4
95.56442	2.3
97.06525	3.3
99.08086	12.4
105.07020	32.5
107.08581	41.7
109.06541	8.7
109.10155	16.3
111.08103	5.9
117.07029	4.4
119.08553	21.8
121.10117	18.3
123.08062	3.7
129.07033	3.3
131.08580	5.7
133.10130	15.2
135.11688	17.1
139.37488	2.4
147.07938	2.9
147.11673	11.7
149.13290	6.0
149.23357	2.3
151.03871	3.0
151.11211	14.3
161.09637	3.2
161.13255	5.4
163.11176	6.0
163.14742	3.3
171.11502	2.8
175.11270	3.5
180.62180	3.0
193.08607	10.7
221.15306	2.6
235.13286	14.8
238.92033	3.2
241.19456	3.1
259.20593	11.5
277.14301	3.5
277.21564	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03941	3.3
54.91613	1.5
55.01856	9.6
55.05259	3.2
55.05502	44.1
57.03433	3.1
57.07060	12.5
59.20127	1.9
60.85572	1.7
65.03914	3.3
67.05147	3.6
67.05492	100.0
67.05850	3.6
69.03382	1.6
69.07047	25.8
69.87159	1.7
71.04985	3.2
79.05476	67.4
81.07037	97.9
83.04932	2.1
83.08598	12.0
85.10149	1.9
91.05459	58.9
91.81551	1.9
92.73893	1.9
93.07018	73.6
95.04953	17.5
95.08006	3.0
95.08582	53.3
97.06505	7.3
99.08087	2.8
102.51373	2.2
105.07011	47.8
107.04947	2.4
107.08587	26.1
109.06508	14.4
109.10152	19.0
111.08080	3.3
117.07009	4.7
118.00101	1.7
119.08558	29.0
121.06451	1.8
121.10135	15.9
123.08039	3.0
123.11678	2.9
129.06961	9.0
131.08539	8.3
133.10075	18.3
135.11638	12.2
143.08566	4.2
145.10106	4.1
145.53279	1.7
147.11653	12.6
149.13231	8.9
157.10129	3.2
161.13210	9.4
163.14864	2.1
171.11664	4.7
175.11127	2.9
175.14745	4.4
191.14323	3.0
231.21097	3.9
235.16888	3.6
241.19499	4.5
249.22145	2.2
259.20517	3.3
277.17917	4.7
277.21552	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39204	2.5
53.03946	3.4
55.01860	12.4
55.05505	17.4
57.03440	2.3
59.95335	2.6
65.60521	2.3
67.05486	40.2
69.07050	14.2
71.04975	3.8
79.05479	42.0
81.03386	11.5
81.07040	29.9
83.04962	29.2
83.08605	11.2
85.02893	4.7
85.06535	4.2
91.05479	30.8
93.07031	31.0
95.04935	20.0
95.08592	16.3
97.02867	10.8
97.06483	5.1
99.04433	3.4
102.07560	2.8
105.07006	19.8
106.07365	3.3
107.04926	23.6
107.08592	26.0
109.06509	6.7
109.10166	5.0
111.04426	64.1
111.08079	18.8
117.07014	17.0
119.08569	18.3
120.08839	3.3
121.06499	4.2
121.10145	18.2
125.05985	3.9
129.06927	3.2
131.08556	6.1
133.10138	5.4
134.10431	3.8
135.08043	3.3
135.11699	22.7
145.10124	30.1
147.11705	3.2
149.09616	12.8
153.12718	13.2
155.08539	3.4
163.11159	46.4
173.09587	10.6
181.12218	25.4
191.10629	44.2
209.11694	100.0
209.13644	3.4
221.26039	2.7
227.12732	36.8
241.14369	14.6
276.20337	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	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
55.05506	17.1
56.96540	17.0
58.06584	23.7
60.04510	10.4
62.00317	4.1
67.05511	4.7
68.05008	5.9
69.03412	23.3
69.07047	9.1
70.06570	25.5
71.04973	5.2
72.08144	59.3
73.67399	4.3
74.06083	4.6
80.04987	23.3
81.03416	17.9
82.18635	3.7
83.04974	6.1
84.04510	39.4
84.08127	29.8
85.02894	16.6
86.09699	9.9
96.04479	36.6
97.02895	35.7
97.04836	7.7
98.06031	8.9
98.97559	7.9
99.04417	7.7
107.04939	9.6
109.02869	9.9
110.07170	5.3
115.03987	5.0
116.07059	5.9
119.01875	9.1
121.00882	4.5
121.01672	28.0
126.05467	31.8
126.12739	6.0
127.03917	8.8
127.05760	4.8
130.05003	5.6
130.12195	7.0
133.03426	4.8
133.06596	4.7
137.02934	6.1
138.05467	100.0
139.01755	7.7
139.02708	9.6
139.05861	38.2
144.06581	21.9
144.13826	57.0
145.03450	5.5
145.06882	7.4
147.03194	5.2
147.04366	8.9
148.04723	7.6
154.08667	7.3
159.11305	8.4
161.02989	7.2
168.06497	8.0
176.08188	17.5
186.07599	5.9
195.92340	4.6
196.71733	4.6
203.97705	4.0
204.10023	5.4
205.02757	7.1
205.10551	5.2
231.00813	22.2
276.17831	6.0
277.03183	31.4
277.17648	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	276.1078
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
53.03941	0.8
55.01868	0.9
55.05513	0.7
56.05016	0.9
57.44294	0.4
58.86420	0.3
60.04505	2.0
61.02914	0.5
68.05021	1.7
69.03419	5.1
70.06589	3.0
71.04985	0.7
72.04503	1.6
80.04995	2.3
81.03403	5.6
82.02887	0.4
82.06603	1.2
83.01318	0.7
83.04973	0.8
84.04492	11.8
92.21889	0.4
96.03864	0.9
96.04477	26.2
97.02879	7.3
98.06048	11.3
99.04409	2.9
101.02368	0.6
108.04470	0.9
109.02877	7.0
110.06028	0.5
114.05466	0.6
119.99803	0.4
124.03934	0.7
126.05499	21.0
127.03913	2.0
138.05489	100.0
144.06544	23.4
145.05659	0.4
168.06520	8.8
186.07600	7.3
219.28079	0.5
233.94165	0.4
244.37679	0.4
245.07726	0.4
276.10693	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	276.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01857	1.9
55.05505	12.7
56.96562	2.0
57.03429	88.6
59.05006	0.8
67.05148	1.1
67.05492	23.5
69.03421	1.1
69.07044	7.3
71.01344	15.6
71.04960	3.7
72.08130	1.1
79.05476	57.2
81.03403	8.0
81.07030	13.0
83.04960	13.3
83.08604	22.6
85.02845	1.1
91.05458	13.9
93.07022	78.5
95.04943	5.0
95.08586	21.2
95.10901	0.7
97.06503	4.0
97.10147	0.7
98.97543	3.3
105.07025	8.6
107.04924	5.5
107.08585	9.8
109.06493	1.2
109.10152	1.3
111.08084	1.2
112.11277	0.8
116.98605	3.3
117.07000	0.9
119.04910	6.1
119.08582	3.5
121.06541	0.9
121.10123	64.8
123.08073	1.5
125.09634	1.4
129.07011	1.3
130.12250	6.1
131.08553	13.5
132.95758	0.9
134.99600	1.3
139.11154	19.0
139.62770	0.9
145.10040	1.3
147.04395	24.0
149.09599	8.6
165.32544	0.8
167.10661	16.0
185.11668	1.2
187.99606	0.8
189.16301	0.8
223.13199	0.8
241.14293	100.0
276.15894	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03944	2.1
55.01863	6.9
55.05507	27.4
67.05491	38.8
68.62885	1.4
69.07059	14.8
71.04929	2.1
79.05476	45.7
81.07045	39.3
83.01139	1.5
83.04949	7.7
83.08618	12.4
91.05466	74.2
92.09206	2.5
93.07024	49.0
94.05515	1.6
95.04938	3.7
95.08581	24.2
95.09142	2.6
97.06492	10.3
98.66409	1.9
103.05454	2.6
105.07015	92.1
107.04934	7.6
107.08579	31.7
109.06494	7.3
109.10127	9.3
117.06998	23.5
119.08565	62.2
121.06498	13.6
121.10117	23.5
123.08036	3.3
125.09622	2.1
128.06317	1.7
129.06934	3.2
130.07681	2.2
131.08553	25.2
133.09190	2.7
133.10115	54.7
135.08025	6.6
135.11641	8.1
137.09589	7.3
139.11179	2.0
143.08548	3.9
145.10100	27.4
147.08020	2.3
147.11670	18.5
149.09589	28.5
151.11179	3.4
155.08505	1.8
157.10065	3.4
159.11687	16.9
161.09583	2.0
161.13217	8.3
161.62775	1.6
163.11127	15.6
169.10066	7.8
171.11693	4.0
173.09592	1.9
173.13246	3.5
175.11224	2.6
197.13193	2.2
215.18079	2.0
227.57794	1.7
229.19595	3.3
239.17882	13.2
257.18912	17.9
274.27286	2.7
275.19995	100.0
275.27637	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	276.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26157	0.3
53.03934	0.6
53.04198	0.3
53.57514	0.3
55.01862	1.0
55.05502	0.4
56.05014	1.8
60.04506	0.9
61.02897	0.6
68.05013	0.8
69.03412	3.9
70.06564	2.2
71.04963	0.7
72.04498	0.9
73.83447	0.3
79.59589	0.4
80.04995	2.4
81.03404	5.8
82.06557	0.7
83.01304	0.5
84.04025	0.6
84.04491	11.1
84.72305	0.4
86.06094	0.6
86.58201	0.4
87.04451	1.7
96.04469	24.6
97.02865	6.4
98.06031	11.5
99.04440	2.1
104.07101	2.2
108.04501	0.7
109.02861	5.8
110.12887	0.4
114.05511	1.6
124.03897	0.4
126.05497	20.0
127.03890	2.0
138.05481	100.0
144.06540	24.4
144.07677	0.8
153.66460	0.4
168.06532	9.8
184.86090	0.5
186.07591	9.7
187.61247	0.4
189.05101	0.4
276.10626	4.2
276.78616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03924	2.1
53.12314	0.8
54.81395	0.7
55.01854	4.9
55.05503	26.8
56.96545	1.2
57.03417	3.6
57.07066	3.8
65.03909	1.2
67.05143	1.8
67.05487	35.4
68.92732	0.8
69.07049	17.6
70.06559	5.8
71.04972	2.3
72.52584	0.8
74.71652	0.8
78.11899	0.7
79.05472	43.2
81.07036	46.1
83.04958	3.8
83.08589	5.7
85.06526	1.8
88.07600	5.2
91.05460	69.3
93.07021	36.3
95.04945	9.7
95.08584	23.1
97.06484	2.2
97.10129	1.3
101.49154	0.9
102.09177	1.1
103.05431	3.5
104.38538	0.9
105.07011	100.0
106.08649	1.7
107.04923	6.7
107.08581	22.4
109.06513	7.6
109.10131	7.5
111.08038	1.5
115.05399	1.9
117.06993	18.0
118.07780	1.2
119.08554	56.1
121.06462	4.8
121.09303	1.2
121.10095	11.0
123.08028	8.3
123.11645	1.5
128.93909	0.9
129.06963	6.1
129.07883	1.2
130.07811	1.2
131.08534	24.1
132.09387	0.9
133.10101	65.6
134.99594	1.0
135.08018	6.0
135.11670	8.2
137.09616	2.2
141.07085	0.9
143.08549	2.3
145.10092	15.3
147.08012	1.3
147.11664	20.1
149.09642	6.8
157.10097	4.1
159.11676	9.2
161.09634	1.4
161.13211	4.8
163.11121	4.3
169.10072	1.5
171.11644	2.1
173.13219	5.6
183.11662	2.0
187.14803	1.4
197.13307	1.3
229.19531	1.5
239.17949	3.9
247.20662	1.6
257.18997	7.9
274.27313	12.8
275.19995	88.9
275.27740	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.87030	1.6
52.77771	1.4
53.33360	1.6
54.32167	1.7
55.05502	3.6
55.95024	2.0
57.07058	2.9
57.99310	1.8
58.86213	1.8
63.94323	1.9
64.93312	1.8
67.05486	8.3
69.07051	23.2
70.06572	1.8
71.04983	2.9
73.25739	2.1
79.05491	3.1
81.07048	12.7
83.08601	2.0
85.06547	2.7
91.05466	11.0
93.06999	18.5
95.04948	4.6
95.08591	9.4
100.75186	2.0
105.06992	16.2
107.08564	17.5
109.06499	4.4
109.10136	3.5
109.37011	2.2
111.08067	26.4
113.09631	2.0
117.07013	4.0
119.08569	20.0
119.29588	2.2
121.06518	3.8
121.10155	9.6
122.07285	10.3
123.08012	26.2
131.08537	10.3
133.10092	9.2
135.08029	33.7
135.11694	3.6
141.69792	2.0
143.08496	2.0
145.10126	15.6
147.11668	12.9
149.09612	4.5
156.09331	4.2
157.10117	7.5
159.11656	19.3
161.09608	2.8
163.11174	2.8
171.11653	15.6
172.79234	2.0
173.13208	8.7
176.11946	9.0
181.12180	7.7
191.14268	100.0
199.14766	3.0
215.17996	3.2
217.15874	3.6
257.18857	7.3
274.27347	7.8
275.16776	2.8
275.19968	32.0
275.27692	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03929	1.2
54.81630	1.3
55.01853	5.6
55.05504	23.2
57.03437	1.8
63.80713	0.9
65.03906	1.1
67.05495	29.7
69.07056	17.6
71.04976	2.0
71.15687	1.0
72.45370	1.4
77.60622	1.1
79.05482	37.3
81.06596	2.0
81.07040	34.2
83.04962	1.7
83.08613	6.1
85.06520	1.3
91.05466	67.4
93.07027	33.7
95.04939	7.1
95.08586	17.6
97.06515	2.0
97.10164	2.0
98.61603	1.2
103.05480	2.4
105.07018	100.0
107.04948	4.7
107.08579	24.9
109.06488	4.7
109.10145	8.7
117.07020	18.4
119.08564	59.3
121.06466	5.8
121.10139	11.3
123.08026	2.9
129.06996	2.1
131.08546	23.3
133.06485	1.6
133.10110	47.2
135.08037	2.8
135.11670	4.6
141.06982	1.4
143.08548	2.8
145.10101	16.3
147.07996	1.3
147.11693	24.3
149.09586	10.6
157.10132	4.7
159.11685	11.3
161.09663	1.4
161.13246	7.8
163.11125	5.5
169.10115	2.4
171.11671	4.6
173.13223	6.8
175.11217	2.0
183.11716	2.1
197.13443	1.9
229.19519	1.5
233.15274	1.3
239.17914	6.4
257.19028	9.6
275.20029	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03941	9.6
55.01859	4.8
55.05511	26.8
57.03447	2.6
57.07063	10.4
60.09356	1.9
67.05497	53.4
69.03405	2.7
69.07062	20.3
70.06571	2.7
71.08632	2.7
71.85648	2.0
79.05471	39.1
81.03394	18.4
81.07043	49.0
83.04972	4.3
83.08597	11.7
84.57009	2.3
88.32594	2.8
91.05466	68.7
92.62785	2.3
93.07031	42.3
94.87778	2.4
95.04949	16.3
95.08585	37.9
97.06492	3.8
97.22678	2.1
105.07014	67.7
107.04948	31.8
107.08593	21.3
109.06486	10.7
109.10149	14.0
111.08089	2.6
117.06993	16.4
119.08554	39.7
119.80602	2.5
121.06507	27.0
121.10136	13.2
123.04411	3.1
123.08047	13.3
131.08548	22.9
133.06517	3.1
133.10118	31.0
135.08049	9.4
135.11653	3.8
143.08636	3.2
145.10086	19.0
147.08029	5.1
147.11661	13.6
149.09607	12.1
157.10130	3.5
159.08011	2.9
159.11665	15.5
161.13239	5.7
163.11124	10.1
163.14861	2.6
173.13286	5.3
175.11111	3.0
183.11725	3.3
187.11185	2.4
239.17986	3.4
247.20416	5.6
257.18896	11.1
274.27402	4.2
275.20013	100.0
275.27716	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03926	2.3
54.56970	1.4
55.01853	3.4
55.05506	21.6
56.05843	1.7
57.03431	2.5
57.07063	4.4
65.03897	2.5
67.05146	2.2
67.05490	35.7
69.07056	15.4
70.06566	1.7
71.08595	3.1
76.56062	1.8
79.05055	2.7
79.05482	45.5
81.03379	10.6
81.07036	97.3
83.04972	2.7
83.08594	10.6
85.06545	2.4
88.07619	2.8
90.31461	1.6
91.04961	2.7
91.05466	49.3
93.07027	35.3
95.04950	18.4
95.08595	22.9
97.06485	3.0
99.77984	1.6
103.65496	1.7
105.07011	66.1
106.86765	1.8
107.04932	66.5
107.08556	20.6
109.06501	11.5
109.10133	4.6
111.08083	1.9
117.06973	13.0
119.08566	31.8
121.06478	12.7
121.10104	12.1
123.07992	2.5
123.11700	1.9
129.06966	3.2
131.08569	18.1
133.10112	29.6
135.08011	4.8
135.11646	3.5
145.10130	15.4
147.11655	15.0
149.09589	4.5
149.13219	3.3
155.08557	2.3
157.10094	3.8
159.11612	3.4
161.13191	2.2
163.11235	3.1
173.13232	3.6
208.66295	2.2
239.17850	4.0
257.18915	3.9
274.27246	8.1
275.19992	100.0
275.27673	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	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
50.32284	1.0
51.65419	1.0
53.03932	5.4
54.81856	1.6
55.01870	11.2
55.05503	22.3
57.07071	1.6
59.04993	1.7
65.03933	1.7
67.05488	26.6
69.07050	19.9
71.04968	1.4
71.19801	1.2
77.10676	1.0
79.05473	27.1
81.03407	7.8
81.07037	37.3
83.04997	1.8
83.08601	5.3
84.53642	1.3
85.06529	1.3
91.05459	62.7
91.06004	2.8
93.07014	21.9
95.01292	3.1
95.04961	5.6
95.08573	18.6
97.06519	7.5
103.95593	1.2
105.07011	100.0
107.04919	10.4
107.08566	9.1
109.06498	2.4
109.10149	4.9
115.05415	1.8
117.06989	11.4
119.08550	34.3
121.10134	2.5
131.08546	15.9
133.10106	34.9
135.11615	2.2
143.08536	1.9
145.10089	10.8
147.11676	10.1
159.11650	3.0
171.11899	1.4
173.13115	1.7
257.18936	2.5
275.20007	38.9
275.27859	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03925	4.7
55.01859	8.7
55.05503	18.1
57.03421	2.7
57.07044	1.2
64.28827	1.1
65.03912	1.3
67.05160	1.8
67.05496	39.4
69.03423	1.3
69.07060	11.8
69.62646	1.2
71.04950	1.5
79.05471	44.0
81.03371	4.9
81.07040	100.0
83.04955	4.9
83.08585	6.9
85.06525	1.9
91.05463	37.8
92.09406	1.9
93.07019	36.7
95.04944	12.3
95.08588	24.7
96.51729	1.5
97.06527	4.4
97.10155	1.2
105.07015	49.0
107.04948	15.0
107.08577	20.4
108.05318	1.2
109.06509	23.6
109.10143	8.1
114.33263	1.1
117.07003	13.4
119.08558	28.3
121.06477	6.7
121.10107	8.6
123.08046	6.4
123.11646	1.9
125.09512	1.8
126.88160	1.2
129.06966	1.4
131.08542	12.2
133.10106	20.6
135.07986	7.3
135.11658	6.3
137.09579	2.2
145.10123	12.4
147.08066	1.5
147.11684	14.3
149.09586	7.3
149.13211	2.1
151.11191	2.5
153.18698	1.2
154.25648	1.2
157.10068	2.4
159.08009	1.7
159.11679	7.3
161.09485	1.4
161.13245	2.2
163.11142	5.0
163.14787	1.6
165.09160	1.1
165.70276	1.2
171.11697	1.5
173.13185	5.2
187.14749	1.6
189.12679	2.0
191.14221	1.2
193.12247	1.7
201.12674	2.0
207.54265	1.2
229.19443	2.6
239.17957	2.1
257.18851	5.8
275.20001	60.2
275.27859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.58080	2.1
51.59747	2.0
53.94669	2.3
55.01852	2.4
55.05508	27.4
57.03428	4.5
67.05193	2.8
67.05492	43.7
69.07042	18.3
79.05474	39.7
81.07033	53.3
83.08598	5.0
84.12930	2.4
91.05466	83.0
93.07026	41.2
95.04926	10.8
95.08572	25.0
97.06486	2.7
103.05452	2.5
105.07010	100.0
107.04904	4.3
107.08600	25.0
109.06503	14.4
109.10134	5.7
111.08035	3.3
117.07025	24.9
119.08550	55.2
121.06478	5.7
121.10123	9.6
123.08085	5.6
129.06944	3.7
131.08574	26.6
133.10098	56.2
135.07997	4.6
135.11604	4.7
143.08559	5.0
145.10123	21.9
147.11647	17.7
149.09602	6.3
157.10083	3.4
159.11702	13.7
161.13194	3.2
163.11127	4.0
169.10226	3.1
171.11600	4.2
173.09639	3.0
173.13240	6.0
175.14816	2.8
185.13257	3.0
185.29695	2.6
203.94629	2.7
232.20544	2.7
240.62004	2.5
257.18903	11.8
275.19980	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1389
Annotation	Terezine A
Peak:m/z	Relative Intensity
55.05499	1.7
65.03919	2.7
67.05486	10.0
69.03415	2.0
69.07036	6.8
79.05468	5.4
81.07040	2.6
83.04971	1.5
83.08599	1.3
91.05463	6.3
92.04963	3.0
93.05802	1.5
93.07027	2.8
94.06548	4.8
95.04953	5.0
95.08617	1.6
96.08098	2.0
98.97594	2.1
105.07000	5.2
106.06527	2.2
107.04922	1.4
107.08601	2.3
108.08099	3.1
112.07546	1.6
117.06963	2.4
119.08585	2.0
120.04441	4.8
121.10108	1.8
122.06007	2.7
124.07532	9.0
129.07034	1.3
131.08513	1.7
132.08138	1.8
133.10071	1.5
134.06003	21.6
135.73561	1.2
136.07553	13.3
138.09105	2.4
140.07039	18.6
142.07707	1.6
143.08546	2.0
144.08067	2.1
145.08841	5.3
145.10039	2.2
146.06078	1.3
146.09660	4.9
147.11661	1.4
148.07530	1.6
156.08112	1.2
157.10056	4.6
158.09590	1.7
159.10420	3.0
159.11641	1.5
160.07539	13.5
160.11200	2.5
161.08325	2.8
162.05501	12.9
162.09151	2.7
164.07039	5.3
168.08110	2.6
169.08809	8.0
170.09619	1.7
172.07578	2.6
172.09857	1.4
172.50778	1.3
173.08345	5.9
173.13226	1.4
174.09114	7.2
174.12755	5.9
180.06499	1.6
184.07542	4.8
184.11185	12.2
185.07019	1.8
186.09140	2.9
186.11562	6.7
187.09920	5.3
188.07027	2.3
188.10684	12.8
190.12250	2.1
196.07610	1.5
197.08278	8.6
198.09032	1.7
199.08618	7.3
200.07423	2.1
200.09404	11.1
201.10234	2.5
201.13873	9.3
202.08612	2.6
202.12282	17.6
204.13979	1.4
211.08655	1.3
212.10629	17.5
213.06549	8.0
213.10158	18.2
214.10815	14.7
215.09390	6.1
216.10191	6.9
224.09599	1.2
227.08195	16.1
228.08858	18.8
229.09634	5.9
229.13303	44.5
230.11728	41.5
239.11795	1.9
240.10133	2.5
241.09656	31.3
242.10466	44.8
257.12790	63.9
257.18860	1.6
258.11197	42.2
275.13840	100.0
275.20044	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	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30841	0.5
52.05147	0.5
54.24678	0.6
54.82201	0.7
67.05482	1.2
68.98273	0.6
69.03405	2.5
82.99856	0.9
83.04942	1.5
86.99307	0.9
90.81839	0.5
92.42699	0.7
95.04948	3.1
97.02858	3.5
101.00858	20.6
103.02406	2.6
109.01393	0.8
111.04400	1.5
112.46696	0.6
115.02337	0.7
119.01895	61.7
121.02841	2.8
127.02385	12.7
129.03989	5.5
131.01967	0.9
137.02937	12.6
143.01892	5.7
145.03448	86.4
147.01404	0.7
147.05009	4.4
151.02370	1.3
153.03999	5.6
157.03482	6.2
159.05003	2.7
159.82106	0.7
161.02956	12.5
163.04495	9.2
169.03432	76.6
170.03647	0.7
171.01366	1.5
171.04997	27.0
173.02950	1.3
175.04465	2.7
179.01974	0.8
185.02924	12.3
187.04492	100.0
189.02400	1.5
189.06073	4.9
195.04948	1.1
197.02922	32.5
197.04680	1.4
203.03954	4.7
205.05569	14.8
205.44879	0.7
210.06079	0.8
211.04547	2.7
213.06046	0.7
215.03986	44.4
221.02942	1.1
229.05547	33.8
233.04993	6.5
247.06590	17.2
251.06091	7.4
257.05167	1.0
275.06064	94.6
293.07080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0373
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
55.93526	4.7
56.96550	5.0
62.13156	2.3
67.05489	2.5
69.03441	3.7
70.06591	3.2
71.09605	2.3
72.08143	21.3
84.08187	3.6
86.09692	12.1
88.85870	2.3
89.94048	2.4
91.24153	2.3
95.04929	3.0
95.06061	19.6
97.06516	10.4
98.97545	9.8
112.07568	3.0
113.07152	3.1
116.98626	15.2
119.01911	3.2
128.95096	3.5
134.99648	10.4
137.02969	2.3
146.96181	2.4
147.04381	17.7
148.97699	4.9
158.78932	2.3
161.67455	2.3
179.56354	2.3
181.06445	2.6
204.10164	16.4
213.08667	4.1
257.02600	36.2
274.97476	9.0
275.03726	61.1
275.06970	4.0
275.10977	100.0
292.98529	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	275.016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94834	7.5
55.93524	8.5
56.32525	9.5
56.96557	40.6
57.52047	8.5
59.04961	8.0
60.65644	10.1
64.33382	10.5
70.06576	21.1
70.33571	10.9
72.08125	37.3
72.68848	10.2
86.05611	10.5
95.04977	12.3
98.97567	95.0
99.04483	9.0
116.98602	100.0
130.12268	48.2
134.99638	63.0
147.04436	24.2
157.38129	11.0
204.10229	23.4
274.97223	13.4
292.98529	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2421
Annotation	3-hydroxy-hexadecanoic acid
Peak:m/z	Relative Intensity
53.03940	1.9
55.01858	1.8
55.05505	71.7
57.03429	4.5
57.07069	55.0
59.04982	1.7
67.05493	32.6
68.50539	0.9
69.07055	100.0
71.04977	5.2
71.08614	28.5
73.06533	2.3
79.05473	24.0
80.20408	0.8
81.07039	51.0
83.04960	6.9
83.08604	60.6
85.06522	4.8
85.10175	12.9
91.05444	7.2
93.07024	38.6
95.08591	40.3
97.06514	23.6
97.10151	33.5
99.08078	1.9
101.06015	1.5
105.07024	3.7
107.08578	31.8
109.10136	17.0
111.08048	9.9
111.11719	6.9
112.44079	1.1
115.07570	3.9
115.62074	1.0
115.63046	0.9
121.10119	24.1
123.11665	8.2
125.09628	12.7
125.13211	1.4
129.09103	3.5
135.11670	24.8
137.13257	3.5
139.11151	9.8
143.08531	1.0
143.10620	1.1
149.13240	14.1
153.12724	6.8
157.12222	1.3
163.14778	9.5
167.14296	6.0
177.16344	3.6
181.03781	1.0
181.15813	2.1
195.97804	0.9
219.21042	27.1
237.22104	19.8
255.23105	1.5
273.18484	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	274.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15165	1.3
53.03946	1.5
55.01849	2.4
56.05013	2.2
57.03433	2.0
61.02893	1.5
68.05025	7.5
69.03419	3.8
70.06587	11.9
71.04967	6.2
72.08125	1.5
74.63458	1.5
81.03401	8.5
83.00212	1.5
84.04491	57.0
84.08134	1.7
85.02885	3.0
87.05587	1.8
92.78890	1.6
96.04484	1.9
97.02876	100.0
98.03522	2.7
99.04481	1.5
104.37247	1.4
104.76395	1.5
108.04463	3.2
109.02851	20.6
110.06023	2.0
112.03975	14.0
114.05512	23.5
116.07096	7.4
117.03970	2.1
118.06606	1.7
119.01890	7.1
123.05500	1.9
126.05483	3.7
127.03940	2.9
130.04976	58.7
142.04987	12.1
145.03485	5.5
146.06001	1.7
147.04387	2.6
154.04955	17.0
164.07025	21.6
184.04564	1.7
189.43916	1.5
192.06523	20.7
210.07597	1.9
226.07123	10.2
238.07095	38.8
256.08163	19.4
261.63800	1.8
270.92017	1.7
274.09976	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	274.2738
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.06818	0.8
57.07069	14.6
62.06067	0.6
70.06577	21.1
71.08617	4.4
81.27107	0.6
85.10177	1.0
88.07617	27.3
88.88889	0.5
91.78557	0.5
102.09161	6.6
106.08656	11.6
120.89499	0.7
144.08545	0.6
148.64729	0.6
158.39584	0.6
229.97820	0.6
230.24792	1.0
256.26331	10.1
274.27353	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	273.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03155	0.2
55.01852	0.5
57.75039	0.2
67.01852	2.4
67.05515	0.4
68.99770	1.6
69.03410	4.0
70.06551	0.4
71.06876	0.3
71.25341	0.3
79.05470	0.4
79.49487	0.3
81.03398	0.3
81.07034	0.6
81.95853	0.3
83.01273	0.6
83.04935	1.6
85.02877	0.4
86.09678	0.6
91.05462	6.8
93.07027	0.6
95.04942	2.0
95.08586	0.3
97.02872	1.3
105.06979	0.5
107.04951	2.8
107.08613	0.5
109.06455	0.4
116.50345	0.3
119.04919	19.4
119.08559	0.4
121.06487	1.2
123.04411	4.3
123.08030	0.3
125.09602	2.4
127.65473	0.3
147.04391	36.3
151.03894	0.5
153.01808	100.0
166.07240	0.4
167.07666	0.3
171.02847	4.2
181.06496	0.5
189.05380	0.6
213.09082	0.4
255.06474	0.4
256.09680	0.3
273.07523	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0964
Annotation	alpha-Arbutin
Peak:m/z	Relative Intensity
53.03935	3.4
55.01863	1.2
55.05505	20.9
57.03424	7.0
59.61917	0.6
67.05480	1.1
69.03421	10.8
70.69523	0.6
71.01347	0.7
71.04974	7.8
73.02908	1.3
75.04474	0.8
79.05464	1.3
81.03398	8.4
83.04967	100.0
83.08585	0.9
85.02888	21.2
91.05470	1.0
93.07047	1.5
95.04936	1.4
97.02879	20.0
99.04449	4.0
107.04945	1.2
109.02880	3.8
111.04426	24.5
114.12793	11.0
121.06506	0.8
123.04412	2.8
127.03870	6.6
129.05455	3.6
145.13347	0.7
154.13370	0.8
160.04227	0.8
188.51756	0.7
195.09183	2.9
255.08612	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	273.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74161	0.2
52.42302	0.2
56.96562	0.7
57.03419	1.1
65.73638	0.2
67.05502	0.7
69.03426	0.4
69.07053	0.4
79.05483	1.9
80.05020	0.3
81.07046	1.1
82.06612	0.3
91.05468	1.1
92.08716	0.4
93.07015	0.6
94.06525	2.0
95.07253	0.3
95.08591	0.7
97.02845	0.5
98.06065	0.3
98.97542	0.4
105.07005	1.3
107.04936	1.7
107.07316	7.5
107.08545	0.6
110.06010	1.6
119.04932	0.5
121.06498	0.4
121.10111	1.5
122.09644	100.0
123.08090	0.4
124.07568	2.4
131.08545	1.2
134.99472	0.4
135.04405	0.4
136.07570	0.6
137.05962	0.6
142.05031	0.3
147.04404	0.7
148.11194	1.2
149.09584	1.4
152.05885	0.7
152.07053	14.2
153.01802	3.4
153.06921	0.4
171.02921	0.5
176.10681	1.6
181.06404	0.5
227.15372	0.5
228.13728	1.2
231.14891	0.5
241.14322	0.5
245.16371	1.3
248.43765	0.3
273.07410	0.5
273.11215	5.5
273.15866	16.0
273.23083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.78568	0.2
55.01846	0.3
57.91227	0.3
65.03929	0.3
65.74352	0.2
66.91512	0.2
67.01864	2.3
68.33805	0.2
68.99779	2.1
69.03412	2.0
85.02901	0.3
91.05462	7.6
95.04951	2.4
97.02848	1.6
98.97581	0.5
102.01060	0.3
107.04915	2.4
111.00769	0.4
112.93177	0.3
119.04916	18.5
121.06487	0.4
123.04413	3.6
125.79790	0.3
131.98767	0.3
137.06053	0.3
147.04388	39.0
151.03824	0.5
153.01805	100.0
171.02820	3.1
178.36690	0.3
181.06519	0.4
189.05432	0.6
198.83484	0.3
239.53384	0.3
255.06329	0.5
273.07513	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	273.0754
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
50.64359	0.2
53.44751	0.3
54.18247	0.3
54.27336	0.3
64.60033	0.3
67.01843	2.6
68.99767	1.5
69.03412	1.6
77.28254	0.3
83.01338	0.4
91.05458	6.8
95.04941	2.1
97.02863	0.6
107.04950	2.6
111.00834	0.3
119.04036	0.4
119.04919	19.0
123.04437	3.2
147.04396	39.6
151.03925	0.4
153.01811	100.0
171.02873	1.5
179.03371	0.5
184.03516	0.3
191.60677	0.3
241.20586	0.4
244.34999	0.3
273.07520	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
54.81762	1.4
55.01859	2.2
55.05232	2.9
55.05503	87.5
56.96569	2.0
57.03422	2.7
57.07064	17.6
59.79209	1.3
64.98856	1.5
65.03939	1.5
67.05492	84.8
69.07055	100.0
71.04974	7.5
71.08601	5.7
76.01054	1.6
79.05473	40.9
81.07038	91.3
83.04972	7.4
83.08604	56.7
85.06538	7.2
91.05460	30.8
92.63727	1.5
93.07021	51.7
95.04942	2.7
95.08588	95.1
97.06499	20.9
97.10145	42.1
98.97556	1.9
99.08083	3.2
105.07018	20.7
107.08569	35.6
109.10133	46.0
111.08064	7.8
111.11697	10.0
119.08572	24.3
120.12920	1.5
121.10112	41.5
123.11667	13.9
125.09600	2.8
125.13209	2.4
131.08612	1.6
133.10118	25.7
135.11685	38.1
137.09642	6.3
137.13229	7.2
139.11154	5.9
147.11639	13.9
149.13234	6.0
150.60519	1.5
151.11174	3.7
151.14801	5.9
153.06970	2.1
153.12703	2.0
159.69368	1.7
161.13231	16.2
165.06975	2.8
165.12727	2.1
165.69212	1.5
169.12186	1.7
175.14809	3.4
179.14302	5.7
217.19479	28.5
235.20534	23.3
236.28297	1.5
253.21590	30.0
271.22620	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	273.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93878	0.3
64.37631	0.3
66.07053	0.3
67.01856	3.0
67.75817	0.3
68.99758	1.7
69.03411	1.8
81.03397	0.3
91.05455	6.0
95.04940	1.9
97.02872	0.6
107.04926	1.8
111.00819	0.4
112.71244	0.3
119.04919	19.5
121.02880	0.3
121.06475	0.6
121.40810	0.3
122.09627	1.6
123.04407	3.0
125.02309	0.4
129.01814	0.3
137.35318	0.3
147.04387	37.8
153.01805	100.0
163.20638	0.3
171.02867	3.4
179.03342	0.4
264.37628	0.3
273.07520	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	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.52793	0.2
55.01877	0.3
57.06858	0.2
64.96593	0.2
65.03930	0.2
67.01502	0.3
67.01854	9.0
68.99774	3.5
69.03407	1.7
81.03389	0.6
91.05461	4.8
95.04961	1.9
97.02874	1.2
107.04962	2.3
111.00806	1.1
119.04918	14.4
121.06471	1.2
123.04411	2.8
125.02344	1.3
127.03931	0.4
129.01791	0.5
137.05965	0.3
146.04160	0.3
147.04393	28.9
153.01810	100.0
154.02122	0.4
171.02856	22.4
179.03304	0.9
181.06499	0.4
189.05374	0.6
192.52596	0.2
255.06322	0.3
267.03033	0.2
273.07520	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	13.3
55.05507	91.3
56.87929	3.0
57.07058	15.1
67.05499	58.6
69.07056	97.1
71.04969	4.9
71.48959	3.5
72.09164	3.0
75.36577	3.1
79.05492	26.6
79.05855	3.3
81.07040	82.4
83.04965	6.2
83.08604	45.4
85.06522	3.6
85.84589	3.4
91.05458	40.2
93.07025	34.3
95.08584	66.7
97.06522	5.3
97.10136	34.7
98.97543	5.5
105.06998	25.2
107.04877	3.8
107.08588	22.2
109.10153	28.0
111.11751	13.8
116.98576	6.3
119.04919	4.7
119.08590	27.6
119.09290	3.2
121.10124	26.8
123.08022	3.4
123.11665	7.5
132.78935	3.5
133.10120	20.1
134.99615	5.3
135.11656	18.0
137.05991	4.9
147.11668	20.4
151.14908	4.4
152.06163	8.4
153.06999	45.9
154.07683	4.8
155.08543	20.6
161.13206	7.8
165.06963	100.0
168.05649	14.0
169.06473	7.4
175.14818	4.1
181.06418	21.9
182.07289	6.3
183.08018	32.4
185.05960	6.3
193.06340	4.0
196.05205	6.8
200.08322	4.0
207.04523	4.4
210.06654	3.6
211.07530	35.1
212.08243	4.4
217.19525	21.6
221.05943	3.9
235.20572	19.1
239.07005	4.2
242.09312	5.8
271.06308	9.4
271.09589	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10140	1.4
53.00281	1.5
53.03911	2.3
55.05506	90.3
57.03425	3.6
57.07072	18.2
65.03907	1.8
67.05494	67.2
67.05849	2.4
69.07053	100.0
71.04980	3.0
71.08609	3.7
79.05472	31.2
81.07036	93.0
83.04959	3.7
83.08604	59.2
85.06525	7.7
85.10171	2.3
91.05462	33.3
92.08723	2.4
93.07021	47.2
95.08582	87.3
97.06483	13.8
97.10144	39.1
99.08056	2.4
105.07005	26.8
106.97362	1.7
107.08584	21.5
109.06528	2.1
109.10146	33.8
111.08083	3.4
111.11695	9.9
119.08557	33.2
121.10108	28.2
123.08054	3.6
123.11703	14.9
125.09613	3.1
125.13217	1.7
133.10092	32.4
135.11652	18.8
137.09579	6.4
137.13225	8.2
147.11671	16.7
149.13260	7.5
151.11179	8.4
151.14801	3.2
152.27911	1.8
153.12762	3.6
161.13190	15.9
165.12717	3.0
175.14754	3.5
179.14314	2.7
193.19466	6.0
217.19469	34.5
235.20511	22.6
245.03261	1.8
253.21617	6.4
271.22577	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	271.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.7
55.85906	0.7
56.96548	1.4
57.03421	1.6
58.36175	0.8
65.03923	2.0
67.05489	0.9
69.03416	1.0
70.06583	0.9
73.02903	19.9
75.04454	1.0
75.46745	0.9
78.62261	0.8
79.05460	1.2
83.19622	0.7
91.05459	4.5
92.63876	0.9
93.03376	0.9
93.06992	1.0
95.04947	1.9
98.97557	3.5
105.07024	1.2
107.04895	0.9
109.06511	1.1
110.03649	4.6
111.04430	4.3
114.36475	0.7
119.04872	3.0
123.04356	1.1
125.05979	18.1
129.07008	3.4
137.05975	5.9
138.35857	0.9
141.05437	1.2
145.06441	1.2
147.04356	0.8
147.07933	1.0
149.05972	4.9
151.03888	100.0
151.04962	5.6
151.07562	3.5
157.06467	2.0
165.06926	1.9
174.06758	1.0
178.07735	1.3
179.07024	14.0
181.04956	1.1
188.82272	0.9
189.09135	3.8
197.07979	7.3
207.10251	1.3
225.07329	1.1
225.09256	1.4
235.09570	1.3
253.10602	1.7
271.11758	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	271.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09604	0.7
53.03930	3.4
54.04271	0.8
55.01865	1.5
55.05310	0.7
55.05510	11.4
56.02192	1.3
56.05840	7.4
56.96552	1.8
57.03430	8.2
58.03759	3.4
61.02914	14.4
62.03250	1.0
67.18987	0.8
67.22803	0.8
69.03417	20.5
69.07050	0.9
70.03750	10.9
70.06566	1.5
71.04974	1.9
72.05318	0.9
73.02913	8.6
73.06540	64.1
73.06957	2.0
74.03228	0.8
74.06870	29.9
74.07261	1.1
79.40561	0.7
81.03393	7.4
81.96918	0.7
82.03741	4.9
84.08155	1.0
84.96028	1.1
85.02893	100.0
86.03222	52.5
87.04474	1.3
88.04817	0.9
91.03938	4.1
92.04262	0.9
97.02880	21.2
98.03211	15.1
98.97561	4.1
99.04449	4.3
100.04775	3.8
109.02856	7.7
110.03176	6.8
112.07578	1.1
112.77405	0.8
116.98618	1.6
127.03903	15.4
128.04225	15.1
134.67926	1.0
136.06171	13.6
137.06647	13.7
138.06891	1.5
139.05003	9.6
140.03401	12.7
145.04948	14.6
146.05284	16.6
147.04414	0.9
148.73949	0.9
163.06052	2.0
164.06342	5.5
172.41353	0.8
251.37367	0.9
254.13072	2.0
294.77826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
54.98834	1.3
55.01843	6.0
55.05504	52.7
56.96561	1.0
57.03428	42.4
57.07056	1.5
62.58075	1.3
65.03915	1.9
65.74563	1.1
67.05491	68.2
67.92402	1.1
69.07051	31.3
71.04985	10.8
78.28103	1.1
79.05473	29.3
81.07037	100.0
83.04974	2.9
83.08607	18.8
85.06520	8.7
91.05453	28.8
93.07021	26.2
95.04956	3.0
95.08581	99.0
97.06500	12.2
97.10130	5.1
98.97543	1.5
99.08076	2.4
105.07008	20.9
107.08559	5.3
109.06493	3.2
109.10143	14.7
111.08051	2.9
115.05408	1.6
117.03402	1.4
117.06954	1.5
119.04903	3.1
119.08558	22.8
121.10107	2.7
123.08020	1.9
133.10097	11.8
135.11642	6.5
137.05959	2.2
137.09599	1.8
137.13228	2.7
153.01842	2.7
153.06953	13.3
155.08521	7.9
161.13237	18.3
165.06984	28.6
168.05685	3.1
169.06381	5.4
179.14275	7.2
181.06453	10.9
182.07202	1.4
183.07959	10.6
185.05904	1.5
193.06453	2.5
196.05122	2.9
197.06039	1.4
210.06874	1.8
211.07448	13.2
221.06017	1.4
228.07684	1.6
253.18004	2.5
267.31970	1.2
271.05966	22.7
271.09579	20.4
271.18985	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	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10801	0.6
53.03945	0.7
54.42387	0.5
55.05499	0.8
57.03427	2.7
58.06597	0.7
66.75985	0.6
67.05486	0.8
69.03427	0.7
70.06545	1.2
71.04965	1.0
73.92224	0.7
75.04446	0.7
79.05456	3.8
81.03384	1.6
81.07029	1.4
84.08121	0.8
85.02888	0.8
88.97469	0.6
91.05453	10.8
93.07008	3.1
95.04951	1.0
95.08569	1.3
96.72665	0.6
97.02844	1.0
98.97549	2.9
98.98438	1.3
99.04437	0.8
103.05458	1.7
105.07002	7.6
107.04945	16.4
107.08530	1.3
109.02833	2.7
109.06495	1.0
111.04427	0.7
115.05422	3.2
116.06194	0.7
116.98592	2.8
117.06999	1.0
118.04072	0.8
119.04920	3.4
119.08521	1.1
121.06476	21.3
122.03639	1.2
123.04414	1.6
129.07010	1.2
131.04924	2.9
131.08569	0.8
133.06462	2.8
133.10219	0.8
135.04427	1.5
135.08031	3.9
137.05949	100.0
146.07283	3.0
148.05159	1.4
149.05963	3.7
149.09592	0.7
151.07532	2.9
153.06906	3.6
155.08580	1.0
157.06572	0.8
161.05948	38.0
161.09575	9.4
162.69672	0.9
163.07532	6.4
165.06966	8.9
168.05739	0.8
169.06398	1.0
175.07521	4.5
179.07008	17.6
181.06439	1.4
183.08031	3.7
189.09068	11.7
197.92624	0.7
207.10091	13.0
211.07506	2.4
264.17929	0.8
271.06744	0.7
271.09622	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	271.096
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.55539	1.0
51.52800	0.7
53.03942	0.8
55.01876	7.3
55.05494	1.0
61.98399	1.0
65.03915	1.1
66.82819	0.9
69.07039	1.4
70.00935	1.0
70.06248	1.2
70.06585	17.2
71.79806	0.9
75.92162	0.8
79.05470	2.0
81.03397	1.3
81.07066	1.9
86.09682	9.8
89.03907	1.3
91.05465	16.3
93.07001	1.4
95.04930	4.4
95.05513	1.0
95.08545	1.5
98.97570	1.7
107.04940	4.1
107.08576	1.1
109.02837	3.9
113.15083	1.0
115.05431	3.9
116.07076	21.7
118.04138	3.8
118.92136	0.9
119.04887	8.7
119.08524	1.3
121.05720	1.0
121.06499	6.3
122.03643	1.0
128.06171	2.3
128.10664	5.4
129.06985	2.3
131.04906	1.2
134.03662	2.0
135.04396	1.2
137.05942	11.2
140.06224	2.0
141.06973	10.1
145.06529	1.3
147.04379	1.5
147.07996	1.2
149.05904	1.0
152.06230	11.1
153.06972	44.1
154.07733	6.2
155.08537	18.5
157.06459	4.7
165.06967	100.0
167.08559	1.1
168.05687	14.4
169.06444	7.4
170.07220	3.5
171.08014	1.3
180.57564	1.1
181.06479	23.7
182.07185	10.3
183.08022	39.7
185.05945	7.6
193.06279	10.7
194.07350	1.8
195.08086	1.8
196.05193	9.9
197.05962	8.8
198.06842	3.0
199.07471	4.7
200.08249	6.8
207.04329	1.9
209.05829	1.7
210.06731	6.6
211.07510	38.7
212.08301	7.5
213.09184	1.4
221.05876	8.6
225.09021	1.8
227.07028	1.4
228.07755	4.3
239.06975	5.1
242.09300	4.9
243.10176	1.8
256.07275	1.1
271.09598	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.4
55.01871	3.1
56.96549	0.5
57.03418	2.6
61.02898	0.4
63.79110	0.3
63.88007	0.4
65.03925	0.9
67.05482	2.0
70.06570	0.6
72.08126	0.6
73.02899	21.9
75.04461	1.0
75.29589	0.4
75.43600	0.4
79.05461	0.9
79.16669	0.4
79.44376	0.4
81.03354	0.5
91.05469	3.7
93.03409	1.7
95.04938	2.6
95.08593	0.4
98.97581	1.8
99.04538	0.4
103.05478	0.4
105.07002	0.9
106.87301	0.5
107.04913	1.5
107.08566	0.7
108.02087	0.8
110.03664	4.9
111.04427	6.2
116.98574	0.5
119.04926	2.8
119.08572	0.8
121.06436	0.6
123.04382	1.7
124.25595	0.5
125.05967	18.7
129.06973	0.8
134.99739	0.5
135.04434	0.6
135.08012	0.5
137.05952	3.6
141.05443	4.0
141.25562	0.4
147.04404	1.9
147.06546	0.8
147.08011	2.0
149.05974	2.4
151.03885	100.0
151.04979	7.6
151.07440	6.1
157.06499	0.8
161.05971	0.8
161.09563	0.4
163.07481	2.9
165.06891	1.0
169.05009	0.4
177.05487	0.4
179.07004	16.7
189.09004	0.8
195.06445	0.6
197.08049	9.2
207.10138	2.9
225.07501	1.0
235.02150	0.4
253.10558	0.8
271.09155	0.6
271.11774	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	271.0963
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.53423	0.7
53.03911	0.8
55.01870	7.7
69.03388	1.0
71.04967	0.9
72.68260	0.8
89.03874	1.0
91.05460	16.8
95.04946	2.0
103.05409	1.2
107.04929	3.5
115.05426	5.7
117.03271	1.1
118.04120	4.6
119.00422	0.8
119.04932	8.0
119.08518	1.0
121.06490	3.5
122.03655	0.9
128.06181	1.1
129.06963	4.4
131.04930	1.0
133.02806	0.9
134.03571	1.4
135.04344	1.1
137.05952	7.9
141.06979	6.9
145.06432	1.0
147.04399	1.6
147.08028	3.7
150.06711	1.1
152.06161	11.4
153.06970	39.4
154.07779	6.1
155.08554	21.9
157.06506	7.9
161.05959	1.1
163.07585	0.8
165.06967	100.0
166.07802	1.0
168.05667	15.8
169.06441	8.0
170.07275	3.6
171.08035	1.9
174.06630	1.2
179.07018	2.0
181.06458	25.2
182.07259	10.9
183.08028	39.1
185.05963	7.6
189.09064	1.6
193.06306	8.6
194.07231	1.9
196.05237	8.4
197.05937	5.2
198.06738	3.7
199.07533	4.9
200.08279	5.7
207.04346	5.4
207.10184	3.9
209.06001	4.4
210.06721	5.7
211.07512	35.2
212.08264	5.5
213.05415	2.1
213.09093	1.2
221.05972	7.0
227.07007	1.5
228.07784	4.5
239.06923	7.2
241.08521	1.1
242.09305	6.8
243.10123	1.9
271.09586	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.41800	0.1
54.62825	0.1
54.81271	0.1
55.05494	0.2
55.96290	0.1
57.03434	0.2
62.25595	0.1
67.01853	2.3
67.05483	0.3
67.66162	0.1
68.99780	0.9
69.07054	0.2
79.05463	0.2
81.07045	0.6
86.18231	0.1
91.05471	1.9
95.08573	0.5
95.30575	0.1
110.76305	0.1
119.04919	7.3
119.08558	0.2
121.02845	2.0
129.01782	0.6
136.36160	0.1
141.06969	0.2
145.02824	2.1
147.04427	0.2
153.01802	13.8
153.06940	0.3
163.03885	1.5
165.06949	0.9
168.05800	0.2
169.06458	0.3
171.02859	1.8
183.08076	0.3
185.06078	0.2
187.03931	0.3
203.07048	0.2
210.95781	0.2
211.07460	0.2
225.05418	0.6
229.04868	0.7
230.93660	0.1
243.06441	1.0
271.05948	100.0
272.06256	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	271.0963
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.94334	0.7
55.01862	7.9
55.05497	1.7
56.96536	1.4
57.03421	1.2
58.19829	0.8
60.12403	0.9
65.36975	0.9
67.05495	2.0
69.03419	0.9
69.07050	0.9
70.06570	0.9
71.04960	1.7
79.05462	4.0
81.03406	1.6
81.07039	10.8
83.04967	1.3
91.05461	19.2
93.07005	1.6
95.04947	5.6
95.08575	1.6
97.06492	1.0
98.09682	1.7
98.97556	2.2
105.07008	4.0
107.04969	6.6
107.08610	1.0
109.02863	3.8
114.12836	1.7
115.05439	5.4
116.98559	1.8
117.03352	1.5
118.04190	1.4
119.04922	8.5
119.08559	3.7
121.06457	5.2
129.06956	3.9
133.06415	1.2
134.03554	1.2
134.99699	1.5
135.04372	2.0
137.05960	10.8
139.05406	0.9
140.06265	1.3
141.06970	10.5
142.53799	1.0
143.08569	1.1
147.04420	1.7
149.05981	1.8
150.06763	1.9
152.06161	9.8
153.06976	44.3
154.07742	8.5
155.08527	27.4
157.06453	6.0
157.10077	1.1
161.06007	1.0
162.36273	1.3
165.06972	100.0
167.07158	1.2
167.08507	1.8
168.05663	19.1
169.06448	10.4
170.07216	3.7
171.07994	1.2
179.08563	1.0
181.06448	30.6
182.07283	8.9
183.08026	43.8
185.04459	1.1
185.05844	7.3
188.52704	0.9
193.06244	10.3
193.07951	1.4
194.07266	3.3
195.08047	1.3
196.05139	11.4
197.05951	7.8
198.06694	2.0
198.14897	8.8
199.07521	5.0
200.08298	7.5
207.04431	2.2
209.05933	1.8
210.06737	4.3
211.07516	39.2
212.08356	7.0
212.68556	1.1
213.05473	1.6
213.09177	1.2
221.05894	9.0
224.04665	1.3
225.05368	1.0
225.08983	1.6
226.14337	7.0
227.06844	0.9
228.07762	4.2
239.07010	4.8
242.09280	6.0
243.10104	2.0
271.09607	65.3
271.16849	3.6
294.34521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03215	0.4
53.03939	2.1
55.01857	0.8
55.05502	6.4
57.03425	5.8
59.17641	0.4
61.02913	11.7
69.03073	0.9
69.03416	19.1
71.04977	2.4
73.02896	4.6
73.06535	35.9
81.03403	7.3
84.33007	0.6
85.02891	100.0
87.04421	1.4
91.03914	4.5
91.61321	0.5
97.02865	22.2
99.04428	4.5
103.03967	1.0
109.02872	7.6
115.03883	0.9
125.07053	0.6
127.03891	20.9
137.38951	0.6
145.04948	25.3
163.05991	9.0
177.04318	0.7
195.07697	0.6
217.10719	0.9
225.08618	0.5
253.12825	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	270.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01871	2.3
55.05512	6.4
56.96553	0.3
57.03434	6.1
60.50102	0.3
61.02922	10.6
69.03420	18.1
70.06588	2.7
71.04989	2.4
72.08140	0.6
73.02909	3.5
73.06545	27.8
80.04974	0.3
81.03400	7.6
85.02897	100.0
87.04451	2.4
91.03953	4.5
91.07584	0.7
97.02881	23.1
99.04452	3.4
101.02381	0.6
103.03942	1.7
109.02876	8.5
110.07177	0.7
112.64161	0.4
115.03913	1.2
117.62080	0.4
127.03909	19.6
137.05980	0.4
145.04953	22.4
163.02176	1.4
163.05997	7.8
187.75648	0.3
193.09720	0.8
205.56192	0.3
217.10703	0.4
253.12706	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	270.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
57.03419	3.3
59.04735	1.6
59.04988	18.1
61.02903	6.5
61.12086	1.3
68.71938	1.4
69.03404	2.8
71.01324	2.6
71.28494	1.5
73.06535	100.0
75.04453	7.8
85.02879	24.4
87.04454	13.3
89.06010	3.3
91.07568	8.2
96.15991	1.5
97.02859	2.3
103.03919	7.4
107.04906	6.4
110.17289	1.8
127.03914	1.9
131.03354	5.4
132.08072	1.5
141.86935	1.7
156.88074	1.5
161.04427	29.8
217.03380	50.5
235.04427	11.4
270.13367	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	270.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26604	2.6
54.76480	2.7
57.03426	5.4
61.02915	8.4
63.05012	2.9
69.03036	3.0
69.03407	25.3
71.04948	3.6
73.02898	7.1
73.06544	6.6
75.85608	3.3
81.03400	14.6
85.02886	100.0
91.03942	3.8
97.02868	26.2
99.04430	4.7
104.07695	3.9
109.02879	8.4
112.00471	3.2
114.22343	3.4
119.01920	5.5
127.03879	23.5
134.06116	3.7
145.04918	26.5
163.05995	5.2
183.97401	3.9
241.46008	3.9
244.10219	3.8
278.31854	3.8
291.83514	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	270.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32705	0.4
53.03943	1.1
55.01862	2.9
55.05510	6.8
56.25822	0.5
57.03432	6.1
61.02920	10.5
69.03419	19.7
69.66766	0.4
70.06569	0.5
71.04982	2.4
73.02906	4.9
73.06541	34.9
81.03397	7.6
83.01308	0.9
85.02894	100.0
87.04449	2.2
91.03939	5.2
93.88161	0.5
97.02871	22.8
99.04457	3.0
101.02364	0.7
109.02863	9.4
115.03915	0.9
127.03896	19.5
127.04809	0.8
145.04945	23.2
163.06004	8.5
217.00598	0.6
217.10574	0.7
218.54056	0.4
238.50668	0.5
253.12773	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2109
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.00315	4.7
53.61506	1.7
54.58849	1.7
55.01870	2.6
55.05508	4.7
56.96555	2.1
57.06813	3.1
57.07073	54.4
58.52728	1.6
65.49740	1.8
67.05498	26.2
69.07057	11.2
79.05484	24.0
79.95512	1.8
81.07040	16.7
83.04975	4.2
85.10171	100.0
89.06012	3.7
91.05430	4.8
92.08668	4.4
93.07037	30.7
94.60169	2.0
95.08588	29.9
97.06522	3.8
105.06998	12.4
107.08598	4.5
113.08849	3.9
113.09636	83.9
119.08528	2.5
121.10129	41.0
123.08058	24.5
131.08577	3.9
131.10692	2.9
135.11705	3.7
139.11185	4.8
153.12755	10.0
159.11787	2.1
167.14334	5.1
201.04738	1.9
215.17871	3.9
233.18967	3.9
251.20004	39.8
252.86720	2.3
269.21127	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	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03951	2.1
55.01870	3.5
55.05502	28.8
57.03428	35.4
57.07051	2.9
67.05494	80.2
69.07053	29.9
69.81815	2.2
69.91189	1.9
71.04977	9.3
79.05479	53.9
80.51158	2.0
81.07043	100.0
83.04966	11.0
83.08602	23.0
90.69957	2.0
91.01639	2.2
91.05448	38.0
93.07020	77.8
94.06049	2.4
95.04971	5.5
95.08592	27.4
97.06482	16.4
99.08099	3.1
105.07020	14.0
107.08574	31.8
109.10127	3.1
111.08086	5.1
117.06977	18.0
119.08493	2.7
121.10129	15.0
131.08553	21.4
133.10129	9.3
135.11714	10.3
149.13239	23.4
159.11671	24.8
177.12764	10.4
195.13777	12.2
269.17419	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	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.87287	1.1
53.03939	5.0
55.01864	2.6
55.05506	22.9
57.03142	1.4
57.03428	36.8
57.07066	2.0
65.03931	1.3
67.05492	93.1
69.07049	28.5
69.08569	1.3
71.04982	6.4
71.22459	1.1
79.05474	59.8
79.76295	1.3
81.03463	1.2
81.07041	100.0
83.04962	11.2
83.08607	18.6
85.06532	3.1
91.05468	42.5
93.07021	78.7
95.04953	8.3
95.08581	25.5
97.06524	18.0
99.08072	6.1
105.06998	14.2
107.08576	28.0
109.06492	3.1
109.10143	5.1
111.08056	5.0
113.50344	1.3
117.06991	17.1
119.08557	5.3
121.10101	10.5
123.11691	2.5
123.72400	1.3
124.48843	1.2
131.08549	23.9
133.10083	14.9
135.08115	1.6
135.11685	9.0
149.13258	23.3
151.11201	1.8
159.11644	29.0
161.13280	3.0
177.12682	14.6
195.13788	7.8
203.92464	1.4
213.72118	1.3
221.96823	1.6
251.16354	3.0
269.17410	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Kobusimin B
Peak:m/z	Relative Intensity
53.03930	2.4
55.01855	1.9
55.05272	1.5
55.05511	24.3
57.03178	1.6
57.03432	31.7
57.07061	2.2
65.03909	1.3
67.05496	81.6
69.07057	26.1
71.04964	5.0
71.08632	1.0
79.05476	53.3
81.07043	100.0
83.04966	11.3
83.08601	15.5
83.20251	0.9
85.06535	2.3
91.05463	42.9
92.08709	1.1
93.07030	76.4
95.04947	13.3
95.08589	28.8
97.06522	15.2
97.10154	1.4
97.85799	1.1
99.08045	2.2
102.70774	1.0
105.04491	1.3
105.07015	15.9
107.08586	28.9
109.06487	2.0
109.10155	4.7
111.08059	7.2
117.07014	15.0
119.08593	2.3
121.10122	11.3
123.11674	2.6
123.32451	1.1
131.08548	17.4
133.10117	11.9
133.48843	1.1
134.37144	1.3
135.08014	1.4
135.11679	6.7
135.15247	1.0
149.13263	17.4
159.11670	25.1
161.13185	5.5
163.13446	1.2
177.12712	12.0
179.14317	1.6
179.62497	1.0
195.13799	6.0
251.16380	1.3
269.17441	52.0
269.20258	2.2
276.75150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34533	1.9
55.05511	3.7
57.79043	1.7
61.13994	1.5
61.78610	1.6
69.03416	100.0
69.07020	1.7
70.06594	1.6
76.75423	1.8
79.05463	2.8
81.07047	4.1
91.05447	3.1
93.06973	1.8
95.04923	2.7
97.02864	3.4
98.98444	24.0
101.81132	1.8
105.07013	3.6
115.03913	60.9
115.05428	22.5
116.98605	2.6
117.06990	15.5
119.04884	2.8
121.06480	3.1
129.06953	7.5
133.06432	4.1
135.08061	1.8
136.06119	3.0
137.05928	18.6
143.04903	14.8
145.06473	3.4
146.03648	2.5
147.04350	3.8
151.03857	2.1
157.06436	7.5
160.05182	9.9
161.05962	15.8
171.04366	16.5
175.07498	23.3
179.07040	2.7
188.66534	1.8
189.05450	11.4
221.08009	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.25015	1.1
50.26293	1.0
52.62500	1.4
53.00304	1.2
53.03925	1.5
55.01863	1.8
55.05505	23.2
56.96547	2.0
57.03428	44.9
59.64752	1.2
61.80652	1.4
67.05492	84.5
69.07055	33.9
71.04977	8.2
71.08620	1.9
79.05473	59.7
81.03384	2.1
81.07037	100.0
83.04959	11.5
83.08600	19.4
83.53185	1.3
83.69394	1.5
85.06499	2.3
91.05454	34.4
93.07020	79.3
95.04938	5.5
95.08582	24.9
97.06493	17.2
97.10147	1.6
99.04455	1.5
99.08129	2.0
105.07008	11.9
107.08575	36.4
109.06474	3.3
109.10149	2.5
111.08082	5.1
117.06984	13.9
119.08549	2.3
121.10106	12.6
123.11665	2.2
131.08542	17.0
133.10121	11.7
135.11687	9.8
149.13234	19.6
150.54089	1.6
159.11630	21.8
161.13205	2.3
177.12720	14.0
179.14275	2.2
195.13809	8.4
269.17401	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.43779	0.7
53.03933	2.4
54.20485	0.7
54.81708	0.8
55.01865	4.0
55.05506	29.0
56.28043	1.0
57.03428	54.4
57.07057	6.0
63.93935	0.8
65.03914	1.9
66.04696	0.9
67.05492	72.4
69.07053	38.1
71.04980	8.2
73.02894	0.9
77.33414	0.8
79.05474	51.1
80.32005	0.8
81.03417	1.6
81.07039	100.0
83.04961	11.6
83.08606	16.3
85.06535	2.4
91.05464	25.8
92.64026	1.0
93.07020	68.7
95.04955	7.8
95.08588	21.7
97.06503	16.3
97.10160	1.7
99.08072	1.9
105.06996	9.8
107.08573	36.9
109.06493	1.9
109.10122	5.7
111.08047	6.5
117.06970	8.5
119.08559	1.9
121.10120	17.2
127.30855	0.9
131.08557	9.8
133.10091	6.5
135.11656	4.1
139.11125	1.8
149.13242	23.6
155.57570	1.0
159.11655	11.9
177.12703	5.9
195.13744	9.6
209.48088	1.1
250.17967	1.0
269.13397	1.8
269.17419	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69709	1.3
55.01853	1.9
55.05486	1.4
56.96554	6.5
57.03428	46.1
57.07067	2.2
68.99784	7.0
69.03419	1.8
71.05000	1.8
72.08137	1.8
75.04457	16.3
79.05480	6.7
81.06989	1.4
81.37737	1.4
84.96001	6.5
89.03899	13.9
91.05453	24.7
95.04945	9.7
95.91030	1.5
98.00627	1.7
98.97544	10.9
103.05448	11.8
105.07030	2.2
106.04138	2.5
107.04928	8.1
108.02131	1.7
109.06545	1.9
110.97540	2.6
111.04395	2.8
116.98602	3.2
117.03364	50.3
119.04896	15.1
119.11272	1.6
119.41032	1.6
121.02863	2.8
121.06487	8.0
123.04359	2.1
125.05925	2.1
128.98569	2.6
129.06990	1.7
131.04912	13.0
131.08614	1.8
133.06474	2.6
134.02733	1.8
134.03624	28.0
134.99620	2.1
135.04395	7.4
135.24597	1.7
145.02831	79.5
145.06512	3.2
146.99612	2.4
147.04431	12.5
149.05956	16.8
151.07532	2.3
153.05499	7.4
158.99597	3.6
162.03111	7.4
163.03888	16.0
163.07515	3.1
177.00772	1.7
177.05435	100.0
179.03366	8.3
180.04135	56.5
192.04095	2.0
193.04932	3.3
195.06488	33.2
195.08153	2.8
221.07869	1.8
228.06395	2.8
237.02823	1.8
241.83769	1.6
251.09227	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69709	1.3
55.01853	1.9
55.05486	1.4
56.96554	6.5
57.03428	46.1
57.07067	2.2
68.99784	7.0
69.03419	1.8
71.05000	1.8
72.08137	1.8
75.04457	16.3
79.05480	6.7
81.06989	1.4
81.37737	1.4
84.96001	6.5
89.03899	13.9
91.05453	24.7
95.04945	9.7
95.91030	1.5
98.00627	1.7
98.97544	10.9
103.05448	11.8
105.07030	2.2
106.04138	2.5
107.04928	8.1
108.02131	1.7
109.06545	1.9
110.97540	2.6
111.04395	2.8
116.98602	3.2
117.03364	50.3
119.04896	15.1
119.11272	1.6
119.41032	1.6
121.02863	2.8
121.06487	8.0
123.04359	2.1
125.05925	2.1
128.98569	2.6
129.06990	1.7
131.04912	13.0
131.08614	1.8
133.06474	2.6
134.02733	1.8
134.03624	28.0
134.99620	2.1
135.04395	7.4
135.24597	1.7
145.02831	79.5
145.06512	3.2
146.99612	2.4
147.04431	12.5
149.05956	16.8
151.07532	2.3
153.05499	7.4
158.99597	3.6
162.03111	7.4
163.03888	16.0
163.07515	3.1
177.00772	1.7
177.05435	100.0
179.03366	8.3
180.04135	56.5
192.04095	2.0
193.04932	3.3
195.06488	33.2
195.08153	2.8
221.07869	1.8
228.06395	2.8
237.02823	1.8
241.83769	1.6
251.09227	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.09964	0.1
53.09435	0.1
55.01859	0.8
57.03431	1.1
58.50314	0.1
61.02900	0.1
62.06085	0.2
64.32610	0.1
67.60133	0.1
69.03406	0.6
71.01333	0.3
73.02881	0.2
85.02885	0.5
92.09341	0.1
94.04039	0.4
97.02850	0.2
107.01656	0.1
115.03922	0.2
119.03526	0.8
133.04887	0.3
136.06163	100.0
137.04547	0.7
253.71501	0.1
268.10345	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	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01862	0.3
57.03417	0.9
58.63227	0.1
60.89269	0.1
61.02908	0.1
69.03410	0.2
71.97754	0.1
73.02912	0.2
85.02892	0.4
94.04048	0.3
119.03550	0.8
129.96333	0.2
133.04929	0.2
136.06169	100.0
137.04543	0.7
268.10336	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	269.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01862	1.3
55.05506	6.9
57.03427	3.7
59.98963	0.8
61.57854	0.7
65.03891	1.1
66.64358	0.9
67.05496	2.2
67.96072	0.8
69.03420	10.2
69.07040	3.8
71.39717	0.8
79.05470	10.2
81.07038	19.0
83.04973	2.2
83.08588	0.8
85.02901	3.7
91.05490	6.3
93.07027	4.6
95.04967	3.5
95.08575	1.3
97.02899	0.9
98.98449	100.0
99.08076	3.5
105.07037	3.8
107.04919	1.4
107.08568	4.2
114.36478	0.9
115.03878	3.7
115.05393	1.0
116.98660	1.8
116.99489	5.3
117.06994	1.5
119.08573	1.8
121.06514	3.5
128.15952	1.0
135.08040	4.2
141.56635	0.9
143.05072	1.1
145.10243	1.0
161.06018	1.1
214.21916	0.8
226.26680	1.0
256.95755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1952
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03939	1.2
53.93048	1.3
55.01867	20.9
55.05506	100.0
57.03439	2.2
57.07058	9.6
57.23227	1.3
65.03895	1.8
67.05183	2.0
67.05493	28.1
69.07055	21.0
70.04142	1.3
70.82893	1.2
71.04977	1.7
71.08609	6.1
79.05477	18.8
81.03403	19.2
81.07039	21.3
83.04967	6.7
83.08604	95.2
91.05456	48.4
93.07029	35.3
95.04956	6.4
95.08582	25.9
97.06499	3.0
105.03419	1.6
105.07009	14.4
107.08556	5.9
109.06491	3.3
109.10129	9.8
111.08064	29.6
117.07030	4.5
119.08562	42.1
121.10114	25.9
123.08067	14.7
129.06985	3.0
129.09036	1.8
131.08536	2.7
133.10083	9.6
135.11627	1.8
136.06184	2.4
137.09590	23.3
139.11150	6.7
147.08057	11.5
147.11688	2.8
151.11192	5.9
157.10089	1.6
165.09044	2.6
165.12718	6.4
175.11197	2.0
183.09911	1.4
231.17549	1.9
249.18452	31.2
267.15936	1.7
267.19452	10.7
283.91876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.00292	1.9
53.03941	3.5
55.01866	2.5
55.05502	11.6
57.03424	2.2
57.07074	38.6
67.05196	2.1
67.05498	37.9
69.03403	1.9
69.07060	33.0
71.04972	6.8
71.08636	2.6
72.49664	1.6
79.05473	17.4
79.05875	2.1
81.03403	23.6
81.07049	36.4
83.04984	3.0
83.08587	2.1
85.02888	3.9
85.06532	2.1
85.10173	86.1
89.34357	1.5
90.50144	1.4
90.57944	1.7
91.05467	63.8
93.07027	100.0
95.04953	16.5
95.08597	26.8
97.06505	2.7
105.06404	2.0
105.07010	20.1
105.75844	1.6
107.08610	13.4
109.06509	3.2
109.10146	33.6
113.09635	82.5
119.07793	2.8
119.08560	27.8
121.10090	8.0
123.11671	6.1
127.07525	1.9
133.10104	28.4
135.73151	1.8
137.09584	10.2
141.12758	3.3
143.07016	1.7
147.11655	3.8
151.11182	18.7
165.12732	11.1
169.12233	14.7
198.50484	1.8
203.17963	25.7
221.18990	84.1
221.21227	2.7
249.18443	47.7
262.18857	1.9
267.19461	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	267.1951
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.00293	2.2
53.03931	2.0
55.01854	1.5
55.05508	13.0
57.03432	1.7
57.07056	4.1
61.36197	0.8
62.52836	0.7
67.05492	16.9
69.07053	7.1
71.08617	100.0
79.05477	10.5
81.03396	9.1
81.07030	14.3
83.04972	6.7
83.08604	5.9
85.06526	1.2
91.05463	16.8
92.08646	1.9
93.07029	9.0
95.04938	6.5
95.08594	6.0
97.06514	4.3
99.08073	58.9
105.07043	6.0
107.04947	20.1
107.08574	4.1
109.06499	3.3
109.10117	2.0
119.08544	4.3
121.10120	2.0
122.97697	0.8
129.06978	1.2
129.19714	0.9
133.10092	8.0
135.08052	5.2
137.09584	1.9
139.11108	1.3
149.09605	19.1
151.11156	22.0
161.09566	3.6
167.10672	4.3
180.98862	0.9
231.17308	3.2
249.18500	8.8
267.19241	1.1
281.77026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1954
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
53.00310	3.2
53.03946	6.5
55.05503	18.9
57.07066	22.9
57.07333	3.4
64.43134	3.8
67.05506	51.1
69.07046	46.9
71.08627	6.0
76.56326	3.8
79.05471	57.3
81.03409	8.9
81.07051	40.3
81.28642	4.0
84.49073	3.5
85.10180	5.1
91.05461	95.0
93.07030	45.8
95.04969	5.3
95.08585	19.0
105.03364	5.4
105.07013	44.2
107.08598	8.8
109.10099	4.2
111.27770	4.7
117.07001	6.3
118.80649	4.4
119.08562	100.0
121.10112	5.1
133.10101	72.4
136.06123	4.0
137.09560	9.9
147.11678	23.2
165.09091	8.0
165.12666	4.4
203.17958	50.3
210.66559	5.3
231.17465	4.9
249.18413	17.7
267.19498	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	267.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	9.0
55.05504	44.8
56.96545	17.0
57.03426	14.4
57.07064	100.0
59.46510	10.4
59.74952	9.6
62.90897	8.7
67.05486	51.2
69.07037	14.7
71.08607	72.1
72.08102	10.2
79.05466	68.0
81.03405	11.4
81.07029	73.7
83.08568	12.5
85.10169	21.8
91.05460	58.0
93.07023	63.5
95.04945	64.2
95.08559	53.1
95.42198	11.0
97.06477	15.2
105.03405	19.2
105.06998	57.5
107.04931	20.5
107.08561	13.5
116.18509	11.4
117.07027	15.3
119.08566	60.9
121.06490	14.6
121.10106	12.5
123.04417	25.2
129.06981	19.2
131.08577	16.7
133.06464	25.0
137.05913	22.8
147.11649	13.6
165.12558	10.9
231.13760	15.6
249.14853	47.4
267.09909	25.7
267.15854	54.1
285.10056	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Rugosal A
Peak:m/z	Relative Intensity
50.28859	0.9
53.03926	2.7
55.01857	2.7
55.05500	15.2
57.03425	23.7
57.07055	8.0
61.02904	1.3
67.05491	22.6
69.03416	2.1
69.07047	7.1
71.04964	2.5
71.08603	5.2
72.08128	7.4
74.99608	1.0
79.05471	22.8
81.03399	100.0
81.07039	28.6
83.04963	8.9
83.08597	11.4
85.10171	1.5
91.05463	28.4
93.07018	16.5
95.04948	23.3
95.08559	10.6
97.06499	8.1
97.10165	1.2
105.03408	1.3
105.07014	25.8
107.04935	6.9
107.08575	5.7
109.06477	6.3
111.04402	1.0
111.08088	4.3
117.06991	2.2
119.08572	17.2
121.06487	2.2
121.10117	5.0
122.53838	1.0
123.08067	1.3
123.11673	1.7
129.06973	11.5
131.08539	11.1
133.06464	5.0
133.10094	6.1
137.09650	1.6
139.63472	1.1
142.07745	1.9
145.10150	2.0
147.08073	2.1
147.11642	9.8
149.09622	4.1
157.10089	7.5
161.05675	1.1
165.12723	2.7
175.11084	2.4
193.12173	8.8
205.08521	4.6
206.08896	7.3
244.31535	1.1
267.12067	4.3
267.15820	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	265.2161
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.00316	3.0
53.03928	3.0
55.01865	4.6
55.05510	33.7
57.03430	15.2
57.07063	9.4
62.79730	2.0
67.05143	3.4
67.05497	100.0
69.07064	18.8
71.04977	7.9
71.08622	74.7
72.99998	1.7
79.05480	49.9
81.03403	3.5
81.07043	40.2
83.04976	26.4
83.08618	8.2
85.06561	3.2
91.05462	32.8
93.07030	38.3
95.04942	4.9
95.08579	31.7
97.06513	16.8
99.08074	51.3
105.07012	15.7
106.20508	1.9
107.08585	15.4
109.10140	22.3
110.20638	1.8
111.08088	2.6
114.08616	1.9
117.07007	2.5
119.08578	2.5
127.11193	8.6
131.08531	4.5
133.10104	14.2
135.11719	2.1
145.10185	2.3
151.11197	8.6
153.12718	10.4
193.11452	1.8
265.21609	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21668	2.9
50.70908	3.0
55.01861	6.9
55.05503	4.8
56.96540	5.9
57.03425	34.1
57.07061	15.7
63.27732	2.9
67.05480	4.9
69.07073	4.0
71.04966	20.7
71.08617	7.0
72.08155	7.7
75.84928	4.2
79.05469	18.1
81.03408	5.0
81.07030	16.4
91.05463	41.1
93.07016	7.6
94.00677	3.5
94.81416	4.2
95.04950	40.7
97.06498	5.3
98.97561	22.1
103.05459	34.1
105.03372	5.5
105.07024	44.1
107.04950	5.1
107.08559	4.9
109.06508	8.4
111.71149	3.6
115.05426	21.8
116.06184	9.4
116.98622	6.1
117.07002	80.9
119.04920	17.0
119.08539	17.4
121.06482	24.4
123.04407	83.7
128.06184	15.0
129.06963	33.0
130.07761	9.1
131.04919	80.7
131.08531	27.3
132.05692	23.3
133.06482	33.3
135.08002	5.8
137.06021	4.0
143.08554	16.9
144.05670	15.6
145.06471	100.0
145.10124	40.7
147.04388	46.0
147.08014	21.2
149.05974	57.6
149.09593	7.8
151.03879	24.5
153.06938	5.2
155.08546	22.5
157.06465	18.3
158.07228	8.4
159.04352	16.4
159.08011	5.0
160.01672	3.9
160.05180	59.1
161.05946	72.5
161.09590	36.3
162.06792	4.5
163.07512	46.3
163.11159	31.2
163.86470	4.3
164.09637	3.9
173.05922	8.9
173.09570	46.0
175.07516	83.0
177.05475	30.9
177.09090	21.7
183.07925	5.0
189.09073	34.6
190.06244	8.7
191.10649	45.7
201.09096	37.5
205.08627	21.0
219.10165	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03947	3.3
55.01868	10.0
55.05506	100.0
57.03425	3.6
67.05496	69.9
69.07056	38.7
71.04969	3.1
79.05477	59.7
81.03391	2.1
81.07049	38.3
81.37876	2.2
83.04985	10.1
83.08609	60.4
85.02882	2.2
85.06547	5.1
91.05468	31.0
92.63726	2.6
93.07018	57.6
93.07569	3.0
95.04964	4.8
95.08575	29.6
97.06512	19.1
99.08025	2.3
105.07050	11.9
107.08589	21.1
109.06489	2.6
109.10142	12.9
111.08063	4.8
112.49632	2.0
117.06983	3.3
119.08562	12.8
121.10126	26.4
121.37453	2.2
122.07160	2.6
131.08557	4.0
133.10065	4.0
135.11688	22.3
145.10114	9.7
145.27785	2.3
147.11720	3.7
148.00153	1.9
150.83926	2.5
161.13272	2.6
173.13318	2.8
223.22559	2.4
236.95444	2.8
265.17902	4.0
265.21603	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	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
52.81589	2.6
55.05506	33.7
56.96553	3.4
57.07051	3.5
57.15119	2.5
67.05495	100.0
68.09647	2.5
69.07057	21.8
70.37007	2.7
79.05471	26.0
81.07041	81.8
83.08611	20.4
91.05497	14.0
93.07017	29.8
95.04971	4.3
95.08585	58.2
95.66927	3.1
105.07063	3.0
107.08585	15.0
109.10149	36.4
111.08072	3.6
121.10114	7.4
121.91306	3.3
122.07150	4.1
123.11684	14.9
123.37983	3.1
128.39990	3.3
135.11696	4.7
145.10092	4.2
173.13141	3.6
218.94666	3.2
265.21536	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2158
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
51.26384	1.4
53.03943	2.2
53.77870	1.5
55.01853	4.2
55.05506	34.1
57.07061	1.7
67.05495	100.0
69.07057	19.2
69.26308	1.8
71.04977	2.3
79.05474	36.7
81.03425	2.6
81.07040	94.8
83.04955	7.2
83.08600	16.3
91.05457	18.8
93.07023	32.5
95.04964	3.2
95.08008	2.8
95.08588	57.1
97.06517	8.1
105.07012	15.2
107.08574	13.9
109.06489	3.0
109.10153	36.1
111.08122	2.2
117.07026	6.8
119.08551	14.2
119.87914	2.0
121.10159	14.2
122.07132	2.9
123.11683	11.3
131.08543	7.7
133.10121	9.0
135.11661	8.3
137.09651	1.9
137.13184	1.7
145.10065	7.3
147.11731	2.0
173.13210	2.1
247.16992	3.3
265.18829	2.5
265.21536	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1797
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03930	5.6
53.56127	4.0
55.01850	8.6
55.05501	29.0
55.64631	4.7
57.07072	7.1
59.50291	4.5
67.05494	78.9
69.07059	100.0
71.04979	7.1
71.94258	4.5
73.64358	6.4
79.05474	64.4
80.98270	5.4
81.07041	95.4
83.04964	13.4
85.06507	5.3
89.33506	6.2
91.05460	70.4
93.07029	71.1
95.04953	22.4
95.08586	50.7
98.60216	4.8
105.07028	61.9
107.04926	25.6
107.08566	43.8
107.99835	5.6
109.06521	29.0
109.10124	28.5
117.06989	28.7
119.08575	41.6
121.06484	21.8
121.10119	33.4
123.08043	8.2
129.07018	6.8
131.08539	39.7
133.10088	44.3
135.07918	9.5
135.11644	11.5
145.06535	8.8
145.10092	53.8
146.09401	5.1
149.09639	25.6
151.11186	31.0
159.11696	24.2
163.11151	62.0
164.31987	6.0
179.10628	7.6
201.16299	12.7
219.17432	24.1
247.16904	56.0
265.17929	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1796
Annotation	Methyl atlantonate
Peak:m/z	Relative Intensity
53.03938	2.9
53.43343	1.3
55.01853	9.0
55.05505	24.0
57.03419	5.5
57.07064	1.4
64.28944	1.4
64.33591	1.4
65.03921	2.6
67.05495	52.5
69.03406	2.7
69.07054	33.8
71.04971	6.7
76.56452	1.5
79.05476	56.3
81.03400	8.1
81.07040	100.0
83.04958	8.0
83.08594	6.1
91.05464	34.8
91.50562	1.4
93.06489	2.4
93.07027	40.6
95.04950	17.4
95.08583	46.3
97.06515	6.1
97.32809	1.5
97.99426	1.3
105.07014	22.4
107.04926	9.5
107.08576	27.6
109.06494	17.2
109.10133	13.2
111.08060	3.0
117.06995	13.7
119.08558	22.9
120.32265	1.6
121.02852	10.2
121.06464	5.3
121.10134	18.1
123.08076	10.2
129.07005	5.3
131.08560	16.2
133.06525	1.6
133.10097	9.7
135.08037	11.5
135.11679	3.2
137.09592	7.9
139.07521	1.8
143.08553	1.9
145.10080	12.0
147.08014	1.7
147.11655	3.1
149.09581	13.0
157.10085	2.0
159.11661	3.4
163.11168	3.5
165.09082	2.1
169.10072	3.0
173.09656	1.5
179.77283	1.5
180.36462	1.3
201.16449	3.2
205.26271	1.5
219.17535	1.7
229.15753	6.4
247.13179	3.0
247.16919	19.5
265.13962	3.2
265.17905	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	264.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54156	1.0
51.12004	1.1
55.05510	2.3
56.36663	1.1
56.96556	100.0
60.08152	2.7
66.70634	1.2
67.05484	1.7
70.06573	1.8
71.04993	1.0
71.95226	1.8
72.08125	1.2
72.96025	2.8
83.04961	2.8
83.97669	1.4
84.04485	9.5
85.02898	2.0
86.06084	1.3
90.94828	1.2
92.64231	1.4
98.97553	11.9
102.05531	1.8
110.09669	1.9
111.04434	5.0
114.05506	2.6
116.98613	14.6
121.02884	1.8
130.04974	8.5
130.06497	4.8
131.06900	1.6
132.95811	1.8
134.99643	7.3
137.05930	1.9
138.09163	1.6
139.03868	1.8
142.04999	2.7
150.96878	6.7
156.10141	1.7
158.06038	1.8
159.06320	1.7
167.03749	1.2
176.03828	15.4
176.07082	1.8
178.05362	13.6
181.01579	1.7
183.03168	4.1
184.09624	5.2
194.04854	8.9
196.06367	14.6
201.04376	8.3
201.12282	2.1
202.10725	8.3
204.03201	1.8
204.06465	1.6
205.06877	1.7
208.02794	5.0
222.04318	44.8
226.03835	6.5
240.05368	52.7
264.05344	13.2
264.14291	3.1
282.06775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.12535	2.3
53.03948	3.5
55.01851	3.0
55.05504	18.8
56.96549	11.6
57.03405	3.3
58.83528	2.3
65.03917	2.7
67.05493	20.3
69.03420	27.8
69.07032	5.5
70.06564	2.7
71.04964	6.5
72.08151	3.8
74.57471	2.5
79.05461	17.2
81.04513	17.5
81.07027	12.8
83.04961	44.3
84.04488	5.6
85.02898	15.8
86.03200	3.2
86.09719	5.0
91.05463	34.8
93.07016	41.8
95.04941	34.7
95.08568	14.3
97.02880	5.1
97.06495	3.5
98.97528	3.1
103.05429	4.9
105.07013	58.0
107.04913	3.9
107.08578	17.5
109.06504	23.2
109.10137	3.0
111.04456	19.9
111.08037	3.3
113.05962	5.1
116.06175	4.4
117.06979	14.6
119.06086	2.5
119.08565	59.3
120.08119	41.9
121.02831	5.2
121.06486	34.9
121.10104	5.9
122.07130	100.0
123.08038	13.7
128.06233	2.6
129.06992	14.1
130.07779	4.7
131.08546	36.5
133.06467	5.5
133.10103	14.8
134.09662	3.5
135.08017	42.0
137.05968	3.4
137.09579	3.3
141.06975	10.2
142.07782	10.6
143.08545	18.1
144.04790	20.3
144.09314	6.7
145.06467	12.4
145.10086	19.4
146.07254	3.1
147.08046	28.1
147.11700	12.5
147.52644	2.6
149.09586	3.6
151.07521	4.4
153.06894	4.0
154.07761	2.9
157.10115	15.4
158.07251	14.6
158.32465	3.1
159.08078	20.0
159.11641	24.4
161.09581	16.3
165.09090	11.2
168.09343	5.1
171.08058	6.3
171.11685	4.7
172.08791	16.8
173.09584	10.9
173.13240	12.5
175.07541	32.8
175.11134	18.7
183.11571	9.8
185.09550	3.8
187.11134	18.4
189.09189	3.2
189.12675	3.7
193.08566	5.5
196.08688	3.4
199.11150	3.5
201.12758	12.6
202.08774	2.8
203.10692	13.0
211.11203	6.0
217.12201	6.1
229.12227	14.9
233.03857	3.2
247.13126	21.0
265.14767	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	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03928	9.5
54.81555	1.7
55.01868	9.0
55.05511	29.2
57.03434	3.4
67.05495	64.3
67.54500	1.8
69.07047	46.1
71.04969	3.0
79.05479	59.2
81.03416	9.7
81.07043	100.0
83.04962	5.1
83.08614	13.1
83.61217	1.9
84.19627	2.1
91.05463	34.1
93.07030	51.5
95.04951	20.8
95.08584	38.3
97.06507	11.2
97.32101	2.0
97.72511	1.9
100.27793	1.9
104.99261	14.0
105.07008	24.7
107.04917	4.6
107.08596	20.7
109.06525	20.9
109.10168	15.6
111.08081	2.9
117.07068	2.6
119.08540	21.2
121.06501	3.6
121.10118	24.1
123.08028	4.6
129.06999	2.4
131.02058	2.2
131.08548	3.0
133.06538	2.5
133.10123	16.7
135.11687	9.7
137.09593	11.4
145.10092	3.3
147.11702	12.2
149.13306	2.7
151.11127	2.9
157.10130	2.5
171.11635	2.8
217.19460	2.6
234.61009	2.2
245.18954	4.0
263.20010	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	263.2002
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03941	19.9
55.01863	6.3
55.05499	8.1
57.03425	1.9
63.22477	1.3
67.05499	30.8
69.07062	10.6
71.04958	1.4
71.92422	1.1
77.89096	1.0
79.05475	45.0
81.03404	31.7
81.07041	100.0
83.04971	6.1
83.08592	1.4
91.05468	29.1
93.07023	28.9
95.04956	11.7
95.08593	15.4
97.06521	2.2
104.99245	12.6
105.07036	12.1
107.04942	2.5
107.08578	4.8
109.06505	30.9
111.08083	1.6
119.08542	7.6
121.10134	6.1
123.08012	2.7
129.07047	1.5
131.08546	2.3
133.06490	1.5
133.10091	1.5
135.11699	1.3
151.09772	1.2
151.11116	1.5
151.21573	1.3
167.26173	1.5
178.92155	1.3
193.12169	3.1
198.98900	1.6
208.43857	1.4
250.26553	1.7
263.19955	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	263.2002
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03934	7.2
55.01868	7.4
55.05504	23.2
57.03428	1.8
57.07059	1.5
67.05489	50.1
69.03406	3.2
69.07050	28.7
71.04971	6.2
74.00872	1.2
75.80276	1.4
79.05003	2.2
79.05476	62.5
80.66033	1.6
81.03388	10.0
81.07036	100.0
83.04963	7.4
83.08611	9.0
85.06534	2.2
91.05453	35.5
93.07019	44.6
93.17750	1.5
95.04947	22.3
95.08578	32.0
97.06516	10.1
104.99268	6.9
105.07004	23.6
107.04949	6.8
107.08582	20.8
109.06496	35.0
109.10134	11.4
111.08092	2.8
117.06983	7.8
119.08551	20.1
121.06477	6.2
121.10107	18.7
123.08064	8.5
128.06204	1.8
129.06989	6.6
131.08540	10.3
133.06502	2.4
133.10110	14.5
135.08034	3.3
135.11659	11.4
137.09592	3.7
143.08530	2.7
145.10080	3.3
147.08008	3.0
147.11694	2.6
149.09616	2.2
149.13231	1.9
157.10086	2.4
159.11629	2.4
161.09593	3.6
163.11107	2.4
165.12715	1.8
171.11771	1.9
187.14549	1.5
189.43704	1.5
203.14052	1.6
245.15335	2.3
245.18831	3.7
263.12479	7.0
263.16379	8.5
263.20023	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	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82030	10.6
56.84893	14.0
58.53309	13.1
84.04482	61.2
230.83662	14.8
254.88712	14.8
263.01547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80042	0.3
58.71791	0.3
61.28715	0.3
61.99963	0.3
65.98216	0.3
76.56448	0.3
77.00884	1.3
82.99818	0.3
89.00883	0.4
97.02869	0.3
101.00859	14.7
104.83319	0.3
105.00329	0.6
113.00890	1.1
119.01902	46.7
131.01886	8.6
133.03450	0.6
137.02934	10.4
142.03531	0.5
143.01889	26.4
145.03470	2.1
149.02916	1.7
155.01868	1.7
156.97473	1.6
157.03413	3.7
159.01413	0.6
161.02930	100.0
167.01945	0.5
170.89221	0.3
173.02943	6.5
174.98489	2.6
175.04491	2.1
179.03943	3.6
184.04572	1.4
185.03014	2.7
191.03979	4.0
198.00200	0.3
199.93484	0.3
200.12582	0.3
203.03984	16.5
216.99588	1.4
221.05081	4.4
239.06053	1.2
263.06058	17.4
281.07123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70007	0.4
51.86398	0.4
54.33831	0.3
55.93534	0.6
56.05035	5.1
58.06576	1.1
59.07372	0.5
60.08155	42.3
61.01147	3.5
69.03384	0.6
69.07082	0.4
70.06573	0.5
71.71166	0.5
72.93766	0.7
85.02887	0.6
86.08334	0.5
86.09663	1.1
88.53526	0.5
90.94787	0.6
98.97614	0.7
103.05384	0.5
104.05299	2.7
104.99239	1.1
115.05428	2.3
116.98586	1.0
118.06528	2.2
118.08603	0.8
119.11503	0.5
120.08092	0.9
130.06506	100.0
131.04874	0.6
132.04422	17.7
132.08052	3.9
141.57239	0.6
144.08092	0.8
146.05978	4.7
148.07530	6.6
154.60477	0.5
158.05992	92.8
160.07605	0.6
160.55966	0.5
167.97137	0.9
176.07043	13.0
176.08592	0.7
186.05478	29.4
188.07028	3.6
188.09468	0.9
190.98756	0.6
204.06532	19.1
217.09645	0.9
217.13516	1.7
231.06683	0.6
245.12671	0.8
249.79082	0.5
263.13904	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	262.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34126	0.3
53.00330	0.4
55.05505	1.4
56.05028	18.3
57.07066	13.9
58.06315	0.4
58.06592	9.9
60.04515	3.2
66.59753	0.3
67.05483	2.7
68.05022	0.5
69.07046	0.8
70.06596	0.4
71.04977	2.0
71.08603	4.3
74.06063	16.0
81.07049	4.1
81.49829	0.3
85.06526	0.5
85.10165	3.6
86.06059	2.5
88.07613	69.0
90.05528	0.5
91.05447	1.7
93.07016	0.4
104.07090	1.6
105.06989	0.8
107.08581	1.3
109.10153	1.4
112.36988	0.3
118.08627	10.5
122.08109	9.7
123.11707	1.4
133.10107	2.9
143.53183	0.4
151.11159	1.4
182.18990	0.6
187.13235	4.6
200.20085	1.2
201.14841	2.6
214.21626	78.5
234.56522	0.4
244.22644	3.4
262.23718	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	262.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01852	0.4
53.15907	0.4
55.01863	10.9
55.05504	5.7
56.96555	8.8
57.03419	2.3
57.07070	0.6
59.04981	0.6
60.24971	0.4
61.28071	0.3
64.33150	0.5
65.03891	0.4
67.05143	0.8
67.05492	20.9
69.03422	1.0
69.07041	4.7
70.06577	1.1
70.38583	0.5
71.04981	3.5
79.05474	11.0
79.74454	0.6
80.54305	0.4
81.03377	2.0
81.07030	13.8
83.04469	0.9
83.04965	30.7
83.08599	5.7
85.02894	3.6
85.06516	2.6
87.04450	34.7
91.05440	7.6
92.03299	0.4
93.03426	0.6
93.06490	0.9
93.07022	17.9
93.23538	0.5
95.04940	4.0
95.08584	4.1
97.06517	6.8
97.10137	2.4
99.04427	3.9
99.08092	2.6
101.02347	1.2
104.99234	0.8
105.07005	2.7
107.04934	4.5
107.08575	13.6
109.06510	2.7
109.10146	11.0
111.04428	69.2
111.08064	25.1
113.05997	0.9
117.07008	4.4
118.06518	18.2
119.08555	6.5
121.06470	3.2
121.10125	11.9
125.05959	1.2
125.09571	0.7
129.05481	0.6
129.06975	2.5
130.07695	0.8
131.04945	0.9
131.08546	6.2
132.08046	4.1
133.08870	2.3
135.08032	1.1
135.10649	1.0
135.11676	23.9
137.05974	0.7
137.09596	0.8
139.11137	0.8
145.01195	0.6
145.10107	14.7
146.09615	4.3
147.10530	0.6
147.11661	3.4
147.60165	0.6
149.09589	5.8
151.02289	1.0
151.52654	4.8
153.09096	2.8
153.12717	21.9
155.08534	1.2
156.51875	3.3
157.02095	0.6
158.02922	0.6
160.02759	1.1
160.53085	2.3
161.12030	0.6
163.11154	38.5
163.52576	0.7
165.01982	2.0
165.52391	14.6
165.54277	1.0
166.02716	3.7
169.08568	3.3
170.03098	0.6
172.53122	7.5
173.03525	2.2
173.09576	9.1
174.02498	2.0
174.52873	2.0
176.14313	100.0
177.14633	0.6
179.53946	3.2
180.04288	1.2
181.03363	0.9
181.12199	48.2
181.53680	15.6
182.03923	6.0
185.05458	0.8
185.11731	0.7
186.54701	1.2
188.54485	0.5
189.04866	3.0
191.10635	36.2
194.05899	17.6
194.56039	6.1
195.06200	0.9
195.10115	3.3
195.55312	4.2
196.05434	0.9
197.01010	0.6
199.13264	3.3
203.06453	15.5
203.56635	4.9
204.06619	1.0
205.56731	0.8
209.11710	10.4
212.07014	0.8
214.57283	0.6
227.12746	77.5
238.05269	0.5
245.13864	6.1
261.61911	0.6
262.17963	79.3
262.23779	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.50943	1.7
55.05509	26.0
57.07047	3.2
57.25757	2.0
67.05492	50.7
69.07057	17.9
75.72335	2.2
79.05476	72.9
81.07040	57.7
83.08614	8.7
85.06530	2.8
91.05461	39.2
93.07024	100.0
95.04969	3.2
95.08580	44.0
97.06488	3.2
98.73897	2.2
105.07011	24.6
107.08585	53.0
107.94840	2.4
109.06512	3.5
109.10160	14.6
111.08115	3.1
117.07011	5.8
119.08550	25.3
121.10128	45.1
131.08588	16.9
133.10123	13.3
135.11670	35.5
145.10110	16.6
147.11693	9.8
149.13246	27.4
159.11664	9.7
161.13263	13.7
161.81181	2.3
163.14798	22.5
173.13264	10.6
177.16344	4.8
187.14862	5.0
201.16571	3.1
222.43210	2.6
243.20963	33.2
261.22086	93.7
283.70230	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05500	18.7
55.76135	1.4
57.07067	3.5
66.77255	1.7
67.05492	57.8
68.71801	1.4
69.07055	17.5
69.16567	1.5
72.19276	1.4
75.07993	1.5
76.77573	1.5
79.05479	70.0
81.07039	68.9
83.08604	8.3
85.06535	4.1
90.30927	1.5
91.05457	35.2
93.07024	82.5
95.04951	4.1
95.08581	51.2
97.06491	2.1
97.10143	2.3
99.08054	2.4
105.07001	23.8
107.08588	54.8
109.06480	2.3
109.10135	16.9
111.08051	2.0
114.37511	1.8
117.06947	3.0
117.68299	1.8
119.08566	21.2
121.10123	46.6
123.08041	1.9
123.11680	3.5
131.08569	19.8
133.10078	18.1
135.11685	34.2
143.76323	1.7
145.10097	17.8
147.11659	14.3
149.13263	26.5
159.11684	8.9
161.13274	13.7
163.14761	24.4
166.32101	1.7
173.13251	12.1
175.14864	6.5
177.16357	3.9
187.14821	7.4
201.16331	3.2
238.90799	1.8
243.21054	35.2
254.37953	1.9
261.22076	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81974	2.3
55.05506	20.2
57.07071	9.2
59.04917	2.2
67.05495	56.0
69.07056	16.9
75.50428	2.3
79.05475	65.0
79.05953	2.4
81.07040	58.6
83.08623	4.9
91.05450	36.5
92.09347	5.2
93.07022	97.9
95.04943	11.3
95.08589	48.9
95.33086	2.2
97.06535	2.7
99.08072	3.9
105.07021	27.7
107.08583	57.2
109.10138	23.5
117.07008	5.5
119.08557	31.2
121.10112	44.7
123.11703	5.4
131.08546	19.1
133.10138	19.2
135.11658	37.7
140.62068	2.1
145.10100	22.9
147.11687	11.8
149.13245	28.7
159.11691	12.6
161.13271	9.2
163.14786	22.7
173.13268	11.9
175.14807	4.3
177.16258	7.3
187.14850	11.5
201.16338	3.9
204.13760	4.6
205.14151	15.7
208.01869	2.9
227.64682	2.4
243.21039	39.5
261.22067	100.0
282.03946	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	261.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41484	0.2
55.87207	0.2
57.50145	0.2
62.19068	0.3
69.53165	0.3
98.97569	0.4
99.32787	0.3
101.00855	2.6
116.26061	0.3
116.98604	0.3
119.01891	12.8
120.01923	0.3
134.99780	0.6
137.02943	3.4
158.99840	0.5
177.00914	22.5
186.21288	0.4
195.01907	0.5
201.00887	1.3
217.04086	3.6
219.01955	35.5
224.58014	0.3
225.00919	1.4
237.98569	0.6
243.01906	4.7
261.03000	100.0
262.03241	0.6
284.04556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0579
Annotation	Suprofen
Peak:m/z	Relative Intensity
50.83044	1.3
55.27605	1.3
56.96553	1.6
57.03425	1.6
64.03656	1.4
69.07033	1.6
70.06567	2.0
72.08114	2.8
80.09245	1.4
84.04481	8.4
84.08125	12.6
86.09686	23.6
92.09279	2.7
97.06531	2.4
98.97570	1.8
107.75835	1.7
116.98743	2.2
126.09125	2.1
130.04996	9.1
130.08620	1.9
147.07639	2.3
158.11723	6.4
215.13892	3.3
229.03181	25.3
243.04721	2.7
261.05783	100.0
261.14499	8.2
261.18091	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03935	1.6
54.81188	1.0
55.01866	1.0
55.05509	9.0
57.07064	8.1
58.74035	1.0
67.05489	19.2
69.07056	12.3
71.04978	11.4
76.55569	1.0
79.05481	12.4
81.07041	67.2
83.04959	1.2
83.08575	1.9
85.06529	1.3
91.05460	15.7
93.07026	34.9
95.04951	11.8
95.08588	49.9
95.09199	1.9
97.06503	3.5
105.07019	22.8
107.08584	19.5
107.84035	1.0
109.06510	18.0
109.10143	18.8
111.08034	5.2
117.06996	8.6
119.08557	28.2
121.06440	1.8
121.10131	11.5
123.08060	3.8
123.11684	100.0
128.06119	1.0
129.06989	1.5
130.07741	1.5
131.08551	11.4
133.10127	14.4
135.08031	19.6
135.11667	3.7
136.08766	1.3
137.09587	23.2
138.60280	1.0
143.08562	4.1
145.10089	23.7
147.11671	10.1
149.09602	1.3
156.09361	1.9
157.10060	4.4
158.10889	1.0
159.11688	10.3
161.09624	1.3
161.13232	6.3
163.11086	1.7
165.12668	1.8
171.11652	4.8
173.13138	2.8
175.11269	1.2
175.14775	7.6
185.13234	5.7
189.12704	2.2
189.16356	1.5
199.14806	1.2
201.16422	8.0
203.14276	2.2
241.19432	4.9
259.20520	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05513	24.2
65.82796	2.0
67.05493	17.8
69.07058	66.4
69.40472	2.2
71.04980	51.6
78.64780	2.4
79.05465	20.0
81.07048	34.1
83.04961	4.5
83.08598	12.1
85.06525	20.8
91.05457	26.1
93.07031	42.6
95.04951	4.7
95.08575	27.0
95.91734	2.3
97.06495	4.4
105.07008	48.5
107.08578	33.1
109.06506	20.7
109.10134	20.5
111.08072	46.6
117.06974	14.6
119.08564	87.3
121.10136	21.1
123.11697	32.6
128.06168	2.6
129.06926	6.1
130.07732	4.2
131.08542	22.4
133.10104	69.7
135.08067	22.1
135.11685	10.3
143.08562	16.3
144.09290	3.3
145.10124	57.9
147.11664	33.7
149.13303	3.1
156.05188	2.7
156.09306	4.5
157.10103	13.5
159.11676	39.2
160.12378	10.4
161.13226	80.0
166.32948	2.4
171.11711	19.5
173.13237	9.7
175.11176	2.7
175.14795	100.0
176.15608	5.2
177.12759	2.7
177.16347	2.9
183.00073	2.3
185.13315	17.5
189.12714	3.7
189.16409	4.0
189.44643	2.8
190.13503	4.3
201.16382	26.9
203.14304	5.8
215.17955	3.4
229.15773	4.3
241.19455	13.9
259.20496	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	260.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29550	0.8
53.03930	1.2
55.01866	4.2
55.05508	12.5
57.03421	1.9
59.04992	17.1
61.02909	1.7
63.07722	0.8
67.05488	24.0
68.75365	0.9
69.03403	1.6
69.07051	11.5
71.04610	1.8
71.04977	34.4
79.05476	33.0
81.03400	26.2
81.07038	32.3
83.04958	13.8
83.08610	10.9
85.02881	1.2
85.06508	4.7
87.04444	4.4
91.04896	1.5
91.05463	43.4
93.06493	1.3
93.07029	24.3
95.04948	11.6
95.08566	9.5
97.06509	8.8
97.10127	1.9
105.07016	27.4
107.04914	4.3
107.08583	31.5
109.06557	7.5
109.10132	1.1
111.08041	9.0
113.05949	1.3
115.05450	1.3
119.08559	16.9
121.10121	25.2
123.08024	3.6
123.11687	3.9
129.06987	12.3
131.08553	26.9
133.10107	33.3
142.07767	1.5
145.10126	1.1
147.07996	2.0
147.10576	2.0
147.11656	21.4
149.09602	33.4
157.10103	23.3
165.12701	2.3
167.10631	4.0
175.11139	22.4
189.05850	0.9
193.10493	1.8
193.12206	34.8
197.15326	1.9
199.13254	5.4
211.13264	100.0
225.14749	9.2
243.15775	1.1
278.22879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44690	0.2
53.00288	0.4
53.80264	0.2
55.05497	0.5
55.43689	0.2
56.96552	0.5
57.07069	13.6
58.06582	1.0
62.06059	0.3
62.98293	0.2
67.05468	0.3
69.07056	0.3
70.06580	19.5
71.08616	4.5
72.08137	0.3
81.03390	1.0
81.07028	0.4
85.10162	1.1
86.27417	0.2
88.07614	25.0
91.05496	0.3
95.04960	0.2
98.97563	0.9
102.08514	0.3
102.09166	6.8
105.07013	0.3
106.08656	11.2
116.98615	1.2
119.08501	0.4
122.16605	0.2
134.99648	0.9
190.95305	1.0
193.12392	0.7
198.22191	0.4
211.13255	1.1
216.23187	1.0
242.24747	8.8
260.25793	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	259.111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23404	1.1
52.56755	1.1
53.03930	1.9
53.17484	1.4
55.01862	15.5
55.05508	11.3
56.05030	12.8
57.03422	1.7
57.40066	1.2
58.99572	11.4
61.01141	2.9
65.03951	1.4
67.05495	8.9
68.05018	2.7
69.07047	5.2
72.08124	11.7
73.01152	1.5
74.00629	1.3
76.02184	2.4
76.03983	2.3
79.05476	48.4
80.05003	5.6
81.07042	28.7
82.06570	15.1
83.08608	1.5
84.04495	11.7
85.01112	100.0
85.04017	6.1
86.00634	35.4
86.99051	3.2
86.99628	1.1
88.02197	7.6
89.03904	1.9
91.05470	8.4
92.01711	1.5
93.07019	9.0
94.06540	11.3
95.04980	5.7
95.07344	1.9
95.08573	7.0
96.08112	15.1
97.01086	4.9
97.06524	13.2
97.08908	6.7
98.09663	16.8
98.97581	5.8
100.02215	1.8
105.06995	10.8
107.04949	7.8
107.07292	2.3
107.08507	1.3
108.08114	3.2
108.66343	1.4
109.08886	2.8
110.09656	14.7
111.02620	2.1
112.03959	9.4
113.04210	57.2
114.05573	1.6
116.01655	19.6
116.98625	2.3
119.04932	13.0
119.08590	2.6
121.06486	1.6
122.09629	13.7
123.10452	2.0
130.04982	24.1
131.04510	2.0
135.04390	5.0
137.09671	1.3
139.03940	1.7
139.05746	7.5
143.02747	2.4
144.01193	2.0
145.10123	2.2
147.04424	7.4
156.08420	47.9
156.10190	25.0
160.32074	1.3
161.02376	2.6
162.02171	2.2
163.03865	8.5
165.05571	1.3
173.02362	7.9
176.02321	1.5
177.03302	7.1
177.24942	1.6
186.12743	2.4
189.03250	2.2
189.05634	1.5
189.65680	1.5
214.12265	5.6
215.06941	5.4
242.08453	9.7
259.11188	47.3
259.13910	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	259.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01870	11.8
55.05505	17.9
56.05030	12.3
57.03431	43.6
58.99578	13.0
60.39991	1.1
61.01119	1.4
67.05499	16.4
68.05013	5.2
69.07051	6.5
71.01352	8.7
72.08119	4.6
72.64351	1.2
73.01149	1.7
74.00656	5.6
74.09863	1.2
76.02238	1.9
76.03984	2.9
79.05475	79.0
80.05010	8.1
81.03420	4.9
81.07044	35.1
82.06568	14.3
83.04969	6.2
83.08591	13.0
84.04495	11.3
85.01115	100.0
85.04017	5.6
86.00639	30.7
86.99043	6.8
88.02195	7.6
88.03986	1.4
91.05468	8.4
93.05794	1.7
93.07024	38.3
94.06564	10.1
94.47668	1.3
95.04962	7.0
95.07318	1.5
95.08585	14.6
96.08105	17.3
97.01108	5.0
97.06519	8.0
97.08898	12.8
98.09680	19.5
98.97521	2.0
105.07030	11.2
107.04930	2.2
107.07355	2.2
108.08117	7.4
109.08889	4.6
110.09673	12.1
111.02671	2.1
112.03961	8.8
113.03495	3.3
113.04211	69.1
116.01661	25.8
121.10120	30.4
122.09631	14.8
123.10413	1.4
124.07577	4.9
130.04982	21.4
131.04529	2.3
131.08553	2.3
136.07562	18.3
139.05740	6.3
139.11177	7.4
143.02779	2.9
144.01135	3.0
149.09647	2.7
156.08421	51.1
156.10204	28.1
162.02205	2.6
163.03873	5.3
167.10686	6.5
173.02321	2.4
177.03276	6.6
189.03293	2.4
241.14304	26.2
242.08357	12.4
259.11105	54.3
259.13843	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	259.1441
Annotation	Cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]
Peak:m/z	Relative Intensity
55.05484	0.2
57.55125	0.2
60.06692	0.2
67.05488	0.4
69.07034	0.4
70.97966	0.2
71.19099	0.2
72.08125	1.2
79.05476	1.0
81.07054	0.2
91.05419	0.3
93.07001	0.4
97.02849	0.2
97.06493	0.9
98.97541	0.4
107.04955	0.3
107.08603	0.2
108.08095	0.3
116.98610	0.5
119.04880	0.2
132.31110	0.2
134.99673	0.3
135.04347	0.2
135.07982	0.3
145.07625	0.2
145.10106	0.2
151.37971	0.2
161.02283	0.3
163.03870	0.4
169.10017	0.4
173.02257	0.4
173.05759	0.3
173.07080	3.9
174.07771	0.4
175.08647	0.3
184.07565	0.3
186.04163	0.3
187.04892	0.7
187.08589	2.8
197.09531	0.3
199.09915	1.2
201.06555	18.2
202.07336	7.2
202.10966	6.5
203.08142	0.8
203.11748	2.2
214.12109	1.5
215.08281	2.1
216.08890	0.9
216.12575	0.3
217.09737	0.3
229.09659	2.0
230.10466	39.6
231.11255	14.3
231.14816	7.2
242.11710	1.9
244.12047	1.6
259.14368	100.0
260.14511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33589	0.4
53.00317	0.5
53.81649	0.4
55.01858	0.8
56.05024	0.4
57.03418	2.7
59.04996	0.5
61.02898	0.8
67.05494	0.7
68.05000	0.6
69.03416	13.4
70.06578	1.6
71.01334	0.6
72.08142	0.9
73.02902	0.7
74.00688	0.4
81.03411	2.1
81.04535	1.0
82.05269	0.4
82.06559	0.6
83.06105	1.9
84.04498	1.9
84.08133	2.3
85.02894	11.7
85.06535	1.7
87.04442	0.9
95.06084	0.7
96.08109	0.5
97.02873	100.0
97.93694	0.4
99.04467	0.6
100.02181	12.1
101.02370	0.6
102.05538	0.7
103.03952	0.5
105.41767	0.4
109.02891	0.7
109.07636	2.1
110.07175	3.1
110.07905	0.9
111.05553	10.1
111.07554	0.7
112.07623	0.9
114.05500	0.9
116.07094	0.5
121.64158	0.4
122.26054	0.5
124.07568	1.7
127.04006	0.9
127.05032	2.5
130.05000	0.9
130.08649	1.6
134.05978	0.6
142.08681	1.9
145.04973	0.5
146.02695	6.2
155.08154	1.8
157.06015	3.2
158.08145	3.6
167.08139	1.7
183.07649	0.8
184.08011	0.7
189.86510	0.4
190.50215	0.5
212.13948	1.8
213.06866	2.3
213.08652	1.1
213.12354	1.4
213.14220	1.0
258.14572	0.5
259.09515	1.0
259.12759	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	258.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
54.81484	0.4
55.05486	0.6
57.07069	27.1
58.06580	3.4
62.06078	13.8
70.01236	0.6
71.08608	9.7
75.99661	0.5
77.26109	0.5
77.26520	0.6
77.74261	0.4
85.10157	3.1
95.62218	0.5
240.26817	9.2
258.19257	1.3
258.27863	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	259.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42788	1.4
54.77397	1.5
60.07806	1.7
60.63317	1.7
62.57011	1.4
64.29809	1.7
84.08126	2.0
98.97543	3.2
116.98618	2.9
143.40742	2.0
163.81773	2.2
183.02473	2.1
196.30180	1.8
238.34189	1.9
241.54587	2.0
259.04178	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	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
56.05027	0.5
56.96566	1.4
65.33330	0.3
67.04240	1.9
69.03416	1.4
70.06574	1.4
72.08136	2.2
74.00642	7.1
80.50031	0.3
82.06541	0.4
84.04487	5.3
84.08131	15.1
85.02894	0.7
85.04820	0.8
85.08466	3.4
86.09695	0.5
88.03989	0.5
97.02875	2.0
98.97552	1.5
100.02184	100.0
112.07596	1.9
114.05507	0.4
114.06287	0.3
116.98540	0.5
118.03223	4.0
120.01151	0.4
127.03955	0.5
129.10205	7.4
130.04999	0.7
130.08615	2.1
130.10625	2.6
130.61215	0.3
137.70821	0.3
146.02689	68.7
147.04361	0.5
149.05869	0.3
177.00557	0.3
195.11226	0.4
199.02191	0.5
207.47104	0.4
213.06895	12.7
258.14508	0.3
259.04248	5.2
259.07401	16.7
259.09726	0.6
275.26022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.01863	2.0
56.18426	0.2
56.31095	0.2
57.03429	7.1
57.03692	0.3
67.05512	0.5
75.04469	1.7
79.05475	4.6
81.03397	5.3
81.07040	0.5
91.05457	2.4
93.07037	0.3
94.04180	1.3
95.04936	0.9
95.08619	0.3
98.97550	0.3
103.05447	4.1
105.07013	39.8
106.04187	0.2
107.04942	3.5
109.06502	1.6
115.05419	1.1
117.06985	0.9
119.08575	1.7
119.90731	0.2
121.06467	1.0
122.03623	5.4
123.04357	0.3
124.05211	1.2
128.06221	0.4
129.07021	0.2
131.04904	0.3
133.06470	40.9
135.04396	0.4
135.08012	0.5
136.05132	0.4
137.05956	100.0
138.06776	0.3
145.06502	0.3
149.06001	0.4
150.06734	1.0
151.07480	0.4
162.06654	0.4
163.07513	4.1
165.09067	15.8
175.07515	3.0
175.11194	0.3
177.09058	0.5
180.07721	0.4
181.08522	0.8
183.08827	0.2
183.10136	4.0
203.10516	0.8
209.11583	0.3
221.11607	1.3
227.11662	0.3
228.12440	0.5
235.25586	0.2
239.12599	1.2
257.13644	1.4
257.16367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.3
57.03426	12.3
57.07048	0.8
59.50720	0.6
67.05473	1.2
69.03403	2.6
70.06572	5.9
72.08141	13.2
76.56055	0.6
81.04502	1.0
82.05299	6.4
82.06542	2.8
83.06084	15.8
83.53639	0.8
84.04459	4.2
84.08134	6.9
85.02879	4.1
85.06521	11.8
86.09675	3.6
93.04504	10.4
95.06068	24.5
96.04456	1.0
96.85496	0.6
97.02853	4.9
98.06044	1.1
101.00906	1.0
104.10712	9.2
109.07625	29.0
110.07146	100.0
111.05543	8.6
112.08725	3.1
114.05499	1.3
116.07049	6.2
119.01909	1.0
124.03927	1.6
124.99956	3.1
126.04377	0.8
126.06610	3.5
127.03876	1.1
127.04960	1.0
129.10213	4.3
134.06004	4.8
135.06342	7.1
137.07072	1.3
145.03525	0.7
152.07112	5.2
153.07379	7.5
155.08118	21.2
156.07642	3.4
158.08064	1.0
162.99872	0.7
167.11754	1.0
170.08102	1.0
173.03230	0.8
176.07109	0.7
183.07623	11.7
184.12059	4.5
185.12823	1.1
191.04146	1.1
194.08089	1.0
197.12729	6.9
212.10403	3.2
212.13898	92.1
213.12326	5.1
214.15442	1.1
228.09402	0.8
240.08551	0.8
241.11665	0.9
258.10919	6.9
258.14432	83.8
259.12885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.3
57.03434	7.6
67.05495	0.3
74.96650	0.3
75.04461	1.8
79.05483	4.3
81.03390	1.7
81.07044	0.6
85.02897	0.5
88.06001	0.3
91.05461	2.7
93.07003	0.7
94.04156	0.8
95.04936	0.8
100.27338	0.3
103.05432	3.2
103.15169	0.3
105.07015	38.1
107.04943	3.2
109.06499	0.8
115.05440	0.9
117.07037	1.3
119.08624	0.6
121.06528	0.4
122.03637	5.8
124.05205	1.4
125.39187	0.3
131.04901	0.5
133.06473	39.0
135.04314	0.4
135.08005	0.6
137.05959	100.0
141.40036	0.4
145.06441	0.5
150.69026	0.4
151.07602	0.4
163.07509	4.0
165.09087	16.6
175.07434	3.3
181.08430	0.5
183.10141	3.1
203.10645	0.4
221.11649	0.6
239.12781	0.7
251.90782	0.4
257.13757	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	24.6
57.03181	2.4
57.03432	58.1
59.04993	18.5
61.02912	3.8
69.60860	1.4
71.01346	15.9
71.04980	16.2
73.02896	22.9
75.04465	2.6
83.01330	10.2
85.02885	14.8
87.00802	2.9
87.04456	37.3
89.02361	7.4
95.01303	2.4
101.01750	2.8
101.02371	61.3
103.03904	6.6
111.00806	7.5
111.94629	1.9
113.02370	2.2
115.03917	77.5
119.03427	3.7
129.01819	100.0
133.04942	11.8
141.01768	3.2
143.03383	33.8
147.02890	7.8
154.70802	1.7
157.01309	72.4
159.02876	2.0
161.04431	38.5
161.05670	3.0
171.02843	26.8
175.02365	1.7
189.03917	98.2
203.05453	43.9
207.04987	3.7
221.06509	18.7
258.37662	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Albonoursin
Peak:m/z	Relative Intensity
55.05493	0.5
56.96533	0.5
57.03404	0.4
58.98289	0.3
67.05478	1.3
69.07063	0.4
81.03412	0.4
81.07040	1.7
85.02858	0.5
91.05474	0.3
92.08801	0.4
93.07005	1.3
95.08612	1.2
97.06458	0.4
98.97549	1.7
105.06999	0.8
107.08572	0.3
109.10125	0.6
116.98619	0.8
117.06998	0.4
119.08527	0.4
120.08097	0.5
134.99654	0.4
137.05974	0.6
139.01770	1.6
144.02321	0.4
162.03375	1.3
163.04982	1.2
171.09114	0.5
172.06306	0.5
172.10011	1.0
173.10675	0.4
183.09142	0.5
184.07480	0.5
184.11206	0.4
185.07027	1.9
186.02675	0.3
186.04147	3.0
186.07822	0.5
187.05002	2.8
187.08633	0.6
188.05826	0.4
194.09612	0.5
196.09920	1.9
199.05122	0.4
199.08661	4.1
200.05753	1.4
200.09413	6.9
201.06631	0.8
201.10167	7.1
211.08646	0.4
211.12299	1.8
213.06564	9.6
213.10110	0.4
214.07321	3.5
214.10832	2.6
215.08057	0.4
216.08868	0.4
227.08110	2.0
228.08876	27.5
229.09715	16.7
229.13268	15.0
242.10468	2.7
257.12784	100.0
258.13190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23729	0.3
53.03938	0.3
55.01852	1.9
56.96552	0.6
57.03431	7.4
64.33134	0.4
67.05486	0.3
72.08132	1.3
75.04459	1.9
79.05473	4.9
81.03388	1.2
81.07069	0.5
84.04491	1.2
84.08102	0.6
85.06490	0.4
91.05440	2.8
93.07014	0.6
94.04160	1.3
95.04939	0.7
95.08619	0.4
98.97597	0.4
103.05457	3.6
105.07017	41.2
107.04961	3.0
109.06514	1.6
111.04498	0.4
115.05433	1.7
115.37285	0.3
117.06992	0.6
119.08535	0.5
121.06506	0.5
122.03622	4.8
123.04448	0.4
124.05193	0.5
132.05629	0.3
133.06473	38.5
135.04391	0.6
135.08057	1.7
136.05136	0.4
137.05960	100.0
147.08040	0.4
148.11214	0.4
149.05951	0.5
149.10771	0.4
150.06752	1.6
151.07515	0.5
161.09595	0.4
162.06758	0.4
163.07504	3.7
164.13074	0.5
165.09077	13.9
175.07533	3.4
175.11221	0.6
177.09070	5.9
181.08531	0.7
182.09355	0.4
183.10130	3.5
203.10651	1.4
221.11699	0.7
239.12784	0.6
248.61565	0.4
257.13892	1.2
271.93323	0.4
271.98950	0.3
278.83194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2315
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
53.03923	1.8
55.01857	2.2
55.05502	80.1
56.81861	1.5
57.03432	1.8
57.07065	73.6
59.04987	3.2
65.41398	1.9
67.05489	24.5
69.07049	100.0
71.04971	2.6
71.08611	27.4
79.05468	23.3
81.07034	50.1
83.04971	8.1
83.08600	60.6
85.10153	13.3
91.05463	2.7
93.07018	44.0
95.08576	40.1
97.06519	28.3
97.10127	31.7
99.08076	2.4
107.08570	32.1
109.10144	17.0
111.08043	12.7
111.11710	4.0
115.07520	2.3
116.57832	1.5
121.10113	27.5
123.11670	8.6
125.09579	9.7
135.11647	22.7
137.13213	3.8
139.11163	9.8
143.10664	2.1
149.13217	14.9
153.12752	7.5
157.12172	1.8
163.14781	9.6
167.14265	3.4
177.16418	2.2
181.15778	2.2
219.21031	32.1
237.21964	14.8
244.59724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2316
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
55.01857	3.6
55.05262	4.9
55.05505	80.4
55.12626	3.0
56.96568	13.1
57.03426	5.0
57.07071	78.8
67.05494	36.3
69.07051	100.0
71.04985	3.7
71.08605	19.1
79.05458	24.2
81.07035	44.1
83.04973	4.6
83.08601	61.5
85.10168	12.9
91.05466	5.7
91.99851	3.3
92.63882	3.1
93.07034	35.2
95.08589	38.7
97.06528	20.3
97.10165	42.0
104.54936	4.1
106.98381	3.7
107.08581	38.9
109.10134	19.5
111.08058	8.1
120.12250	3.2
121.10111	16.5
123.11671	5.2
125.09608	5.3
135.11674	22.1
139.11150	6.5
149.01239	16.2
149.13257	17.1
153.12694	4.0
163.14838	5.8
167.02249	6.8
181.16048	4.2
182.38297	3.3
213.74075	3.5
213.77284	3.9
219.21013	18.1
237.22044	8.3
255.06213	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	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03937	4.1
55.01849	3.8
55.05505	40.9
57.03429	74.1
57.07064	6.5
61.44853	2.2
64.41075	2.1
65.03929	2.4
67.05146	3.5
67.05494	100.0
68.12322	2.4
69.07058	27.3
71.01340	6.3
71.04971	5.9
79.05051	4.2
79.05479	80.5
81.03397	5.0
81.07037	46.1
83.04971	29.2
84.72440	2.2
85.06533	5.2
91.05454	35.0
92.02149	2.7
93.07021	81.2
94.00923	2.3
95.04935	11.4
95.08576	20.4
97.06496	18.6
97.10133	16.9
98.97548	13.9
99.08094	4.3
105.06995	15.2
107.08573	55.6
109.10117	10.6
115.05376	3.1
116.98609	6.4
117.07016	10.5
119.08565	15.4
121.06483	3.0
121.10110	15.0
129.07025	2.9
133.10095	5.1
135.11678	61.5
137.05910	3.9
137.09520	3.5
142.66553	2.7
145.10100	13.8
150.96852	14.5
163.11110	6.1
181.12234	18.0
191.32570	2.8
195.08038	4.0
255.15828	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	255.1589
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.86859	1.0
51.57952	0.9
53.03929	2.6
55.01847	4.7
55.05504	49.0
55.20767	0.9
57.03428	75.3
57.07055	5.7
63.48651	1.1
64.42508	1.0
65.03916	1.7
67.05492	96.0
69.03393	1.5
69.07054	36.4
71.01323	7.5
71.04974	9.5
79.05473	92.4
81.03377	7.3
81.07037	51.4
83.04962	24.8
83.08629	8.9
85.06512	5.2
91.05460	35.7
92.63183	1.4
93.07021	100.0
95.04945	11.4
95.07987	1.5
95.08566	15.7
95.52132	1.2
97.06506	20.7
97.10149	19.9
99.08041	2.1
105.04488	1.5
105.07030	9.9
107.04926	2.6
107.07869	2.3
107.08578	59.0
109.06499	1.9
109.10143	9.7
111.08053	2.4
117.07021	9.7
119.08559	12.7
121.06428	1.6
121.10091	7.4
125.09671	1.8
130.07773	1.6
131.08470	1.2
133.10106	2.4
135.07953	1.5
135.11665	67.7
137.09636	1.8
145.10117	13.8
150.36752	1.1
163.11137	8.4
181.12183	16.6
196.49391	1.3
209.24071	1.0
211.99275	1.3
225.24919	1.2
226.57860	1.1
255.11217	1.9
255.15814	56.3
262.43512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03939	2.7
55.01853	2.4
55.05509	39.5
56.96549	16.9
57.03430	83.0
57.07050	3.7
62.60556	2.6
65.03905	2.4
67.05145	4.4
67.05496	100.0
69.07059	31.0
69.55853	2.1
71.04953	12.6
78.84043	2.5
79.05479	81.9
81.03403	11.8
81.07046	39.6
83.04966	28.3
85.06521	4.8
91.05466	38.6
93.07028	93.9
95.04966	4.1
95.08587	17.8
97.06525	21.4
97.10143	15.8
105.07004	15.7
107.08573	39.3
109.10136	10.6
117.07024	10.7
119.08559	4.2
121.06460	4.5
121.10133	10.6
125.09605	3.0
128.48209	2.9
130.07814	2.9
133.10097	3.7
134.48993	2.7
135.11684	49.5
145.10120	12.9
163.11116	5.2
165.09113	2.8
181.12202	4.9
193.04875	2.7
227.05734	2.7
238.98962	3.2
245.33418	3.1
255.15871	66.9
279.79852	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	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91024	10.4
53.84682	9.5
63.82944	12.0
75.83505	11.9
76.56142	14.2
93.84108	12.2
110.67781	12.8
112.89594	18.1
168.03911	11.8
221.31947	13.7
224.96696	12.9
255.06259	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	255.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
56.09051	0.9
56.96558	1.5
57.03428	25.2
57.07069	1.1
66.45704	1.0
68.89011	1.0
69.03390	0.9
69.07080	1.7
70.06580	1.0
75.04462	6.1
75.31686	1.0
79.05460	5.6
81.07032	2.2
82.28931	1.1
83.04966	1.2
84.96004	1.8
88.86321	1.0
91.05460	26.6
92.63537	1.1
93.07030	9.2
95.04939	6.2
98.97569	4.0
103.05448	65.5
105.03413	1.5
105.06976	7.8
107.04922	11.9
107.08593	1.7
109.06502	5.6
110.03638	26.0
115.05477	1.3
116.98621	2.4
117.07012	1.3
119.04919	21.1
120.05693	4.8
121.06457	9.7
122.03643	2.3
123.04396	61.4
123.05296	2.2
123.07967	1.3
124.05172	13.1
125.05899	1.3
128.98666	1.2
131.04895	100.0
133.06462	5.3
135.04411	2.0
135.08040	5.7
136.05142	1.7
137.05943	42.7
138.06721	44.0
138.07753	2.2
145.02834	1.8
147.04385	1.5
148.38452	1.1
149.05968	2.5
151.07474	11.1
163.07521	23.5
166.06221	31.1
177.05495	2.5
179.06920	2.3
181.08560	17.3
237.11401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54841	0.5
55.01860	4.5
57.03428	25.8
59.16524	0.5
65.53362	0.5
67.05479	0.6
67.99038	0.6
70.06577	0.6
71.79643	0.5
75.04459	6.2
79.05466	2.7
81.03394	0.7
81.07046	1.1
91.05465	22.9
92.06243	0.8
93.07005	6.1
94.04139	0.6
95.04942	3.5
103.05447	66.9
105.03378	2.7
105.07018	4.1
107.04926	2.9
109.06511	3.2
110.03646	24.3
117.07020	1.0
119.04920	22.5
119.08582	0.8
120.05674	5.6
121.06487	8.0
122.03619	4.6
123.04406	67.2
123.08046	1.3
124.05206	11.7
130.40390	0.7
131.04906	100.0
133.06491	0.8
135.04427	2.9
135.08051	3.0
136.05194	1.5
137.05957	40.1
138.06741	44.0
147.04382	2.5
147.08054	0.9
148.05125	1.3
149.05945	1.3
150.06796	1.1
151.07513	10.4
154.46259	0.7
163.07507	24.8
165.39928	0.6
166.06221	34.6
175.07471	1.1
179.06995	3.5
181.08562	18.2
195.96274	0.6
219.10138	0.8
226.00157	0.7
231.31659	0.8
237.11224	1.1
255.12173	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31662	1.8
61.02913	18.1
63.82696	1.7
71.01344	18.0
75.04469	32.5
77.07837	1.9
83.25803	2.2
87.04440	8.8
89.02354	8.6
103.03913	44.4
111.14943	2.0
116.68104	1.8
131.03355	9.3
133.69974	2.1
138.05029	1.9
159.02855	81.9
187.02396	10.1
195.83118	2.3
219.04967	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	254.161
Annotation	CI 4
Peak:m/z	Relative Intensity
54.26429	0.3
59.52390	0.3
65.33200	0.3
70.06213	0.7
70.06575	16.2
73.06524	0.5
82.06559	0.4
85.02882	1.5
86.03259	0.4
89.07092	0.4
97.07613	1.7
98.03218	0.5
98.06032	16.1
110.07034	0.3
112.08717	0.4
117.43645	0.3
122.09643	2.7
125.07090	20.5
154.07324	0.6
166.13354	1.4
167.11769	27.1
193.09688	0.4
194.12857	7.1
195.11256	100.0
212.13890	0.4
217.18523	0.4
224.52251	0.3
237.13449	2.4
254.16066	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91557	1.7
61.02918	17.6
71.01348	17.2
75.04470	32.8
75.23646	2.1
81.04538	3.4
87.04452	4.5
89.02383	4.0
103.03925	43.4
117.46795	1.9
131.03410	12.3
141.33640	2.5
159.02861	87.9
187.02332	4.0
219.04974	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	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78025	1.9
57.18834	1.6
61.02647	1.7
61.02908	17.3
61.03160	1.5
68.86398	1.4
71.01335	18.8
75.04458	38.7
75.18312	1.6
83.22909	2.0
87.04454	10.4
89.02345	3.9
103.03913	36.7
131.03386	8.3
159.02852	67.0
159.57799	1.6
187.02419	9.0
219.04947	100.0
226.78587	1.7
249.86169	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.216
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.00285	1.8
53.03944	2.1
55.05505	79.1
56.08537	1.3
57.07068	17.3
59.04979	1.6
65.60516	1.4
67.05495	49.5
69.07056	100.0
71.04968	2.3
71.08607	2.4
73.06533	2.4
79.05471	18.5
81.07036	78.6
83.04968	7.3
83.08604	48.9
85.06525	7.0
91.05441	24.2
92.09339	4.7
92.63985	1.6
93.07022	31.2
95.08583	70.1
95.37673	1.7
97.06497	11.7
97.10152	39.0
99.08087	3.9
105.07015	24.2
107.08566	23.8
109.06480	3.0
109.10146	25.2
111.08069	3.0
111.11696	10.9
119.08580	18.9
121.10131	20.0
123.08025	2.5
123.11646	6.8
125.09563	1.8
133.10106	23.6
135.11678	14.0
137.09628	6.7
137.13240	6.7
139.11110	2.6
147.11707	16.1
149.13272	2.2
151.11194	8.8
151.14761	3.3
153.12682	2.9
161.13251	10.4
165.12715	3.0
175.14819	2.9
191.17955	2.5
215.41635	1.7
217.19455	24.4
227.98340	1.8
235.20493	16.1
253.21678	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	253.1796
Annotation	Cheimonophyllon C
Peak:m/z	Relative Intensity
53.03910	1.4
54.81255	1.8
55.01861	2.2
55.05496	6.5
56.96550	2.0
57.07058	2.7
67.05489	23.9
69.03418	100.0
69.07045	9.6
71.04961	1.8
79.05482	11.9
79.05860	1.6
81.03428	2.6
81.07035	26.5
83.04958	2.4
83.08617	2.5
91.05466	19.5
93.07050	17.4
95.08598	15.2
97.06492	9.2
105.07013	12.4
107.08569	8.4
109.06513	2.1
109.10143	3.6
111.08045	1.5
111.36978	1.5
117.06956	1.6
119.08549	8.1
121.10127	6.4
123.08022	2.2
123.11691	2.1
125.89413	1.5
129.06955	1.7
133.10107	16.6
135.11655	2.5
137.09538	1.4
144.60861	1.6
147.11661	2.4
148.58635	1.7
149.09572	2.7
151.11121	1.8
189.16318	2.6
207.17445	1.5
235.16869	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	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01870	1.6
55.05507	17.9
57.00134	0.6
57.03434	8.0
59.98400	0.9
61.02911	11.7
62.06400	0.7
69.03076	1.1
69.03423	21.6
71.05002	0.9
73.02893	4.0
73.06543	61.4
75.41048	0.6
80.82530	0.7
81.03411	7.1
83.01305	1.0
84.08118	0.6
85.02895	100.0
87.04461	2.5
91.03949	1.6
97.02878	20.3
97.83834	0.8
99.04420	4.6
101.02361	1.0
103.03920	0.8
109.02883	9.3
120.08094	0.8
127.03907	13.9
145.04942	10.8
147.04330	0.6
151.71440	0.6
163.06033	2.6
193.41969	0.7
254.12883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01870	1.6
55.05507	17.9
57.00134	0.6
57.03434	8.0
59.98400	0.9
61.02911	11.7
62.06400	0.7
69.03076	1.1
69.03423	21.6
71.05002	0.9
73.02893	4.0
73.06543	61.4
75.41048	0.6
80.82530	0.7
81.03411	7.1
83.01305	1.0
84.08118	0.6
85.02895	100.0
87.04461	2.5
91.03949	1.6
97.02878	20.3
97.83834	0.8
99.04420	4.6
101.02361	1.0
103.03920	0.8
109.02883	9.3
120.08094	0.8
127.03907	13.9
145.04942	10.8
147.04330	0.6
151.71440	0.6
163.06033	2.6
193.41969	0.7
254.12883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05978	0.8
56.96548	1.1
59.30306	0.7
59.69529	0.7
66.60716	0.9
69.03427	0.9
81.07035	2.1
83.04948	1.2
84.54296	0.9
85.02859	1.0
91.05449	4.1
93.07014	1.4
95.08576	1.4
97.06549	1.0
103.05478	1.3
105.07021	3.7
109.48898	0.8
117.07017	1.1
119.08594	1.5
119.34379	0.9
121.10100	0.9
128.06131	0.9
129.06941	1.8
147.08026	1.5
155.03442	1.1
176.04692	1.5
191.06973	2.0
253.14178	3.0
253.17690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.4
54.81255	1.8
55.01861	2.2
55.05496	6.5
56.96550	2.0
57.07058	2.7
67.05489	23.9
69.03418	100.0
69.07045	9.6
71.04961	1.8
79.05482	11.9
79.05860	1.6
81.03428	2.6
81.07035	26.5
83.04958	2.4
83.08617	2.5
91.05466	19.5
93.07050	17.4
95.08598	15.2
97.06492	9.2
105.07013	12.4
107.08569	8.4
109.06513	2.1
109.10143	3.6
111.08045	1.5
111.36978	1.5
117.06956	1.6
119.08549	8.1
121.10127	6.4
123.08022	2.2
123.11691	2.1
125.89413	1.5
129.06955	1.7
133.10107	16.6
135.11655	2.5
137.09538	1.4
144.60861	1.6
147.11661	2.4
148.58635	1.7
149.09572	2.7
151.11121	1.8
189.16318	2.6
207.17445	1.5
235.16869	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	252.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94416	0.3
56.83381	0.3
56.90128	0.3
60.65719	0.3
75.92242	0.3
79.05470	8.9
87.00819	3.0
91.05424	0.6
92.08647	0.8
93.07019	2.0
103.05451	9.7
104.03443	8.8
105.07011	0.5
106.06546	7.9
107.04939	21.3
118.06517	10.9
120.08083	100.0
128.04942	0.7
131.04906	6.5
132.04434	0.9
140.53096	0.4
146.04799	0.6
146.05988	18.8
148.07602	0.5
149.05981	0.6
164.07027	0.4
166.08580	1.6
176.06993	0.5
188.07030	11.0
188.08609	0.6
192.06511	4.8
197.49336	0.4
206.08095	27.4
218.39787	0.4
232.21269	0.4
234.07602	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31646	0.2
53.89999	0.2
55.45736	0.2
70.02927	0.4
79.05471	0.6
87.00823	3.1
87.75609	0.2
91.05469	1.3
93.07018	1.5
95.04931	0.3
96.85244	0.3
103.05450	7.2
104.03436	0.3
106.06559	0.5
107.04928	1.4
107.61731	0.3
118.06519	10.5
120.08079	100.0
121.06495	0.4
125.47179	0.2
128.04916	1.0
130.09392	0.2
131.04950	0.4
146.05981	18.2
166.08568	0.9
188.05310	0.4
188.07033	11.9
192.06535	0.4
194.22923	0.3
206.08090	27.7
234.07578	0.6
252.08693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.109
Annotation	Deoxyadenosine
Peak:m/z	Relative Intensity
50.88788	0.3
55.01858	0.5
55.05492	0.5
56.96554	2.2
57.03407	0.3
61.34373	0.3
64.12982	0.3
69.03420	0.6
70.06569	1.6
71.04966	1.3
72.08125	2.0
72.74404	0.3
73.02896	1.6
79.05479	0.4
81.03384	1.2
82.06557	2.0
84.04497	3.0
84.08138	4.0
85.02908	0.5
85.06533	0.7
87.04446	0.4
94.04042	0.4
97.02897	0.3
98.97540	0.5
99.04427	1.5
109.02917	0.3
109.23876	0.3
111.04404	0.3
112.11255	1.1
113.05992	0.5
117.05466	3.2
119.03522	0.6
128.07054	1.3
129.05476	0.4
129.10217	0.4
136.06166	100.0
137.04573	0.4
142.67554	0.3
145.96626	0.3
154.68823	0.3
163.97737	0.7
175.06224	0.5
179.11839	0.4
182.19023	0.4
183.11220	0.4
205.98776	1.6
206.09209	0.4
217.10616	0.3
234.07796	0.4
242.16083	0.4
252.10841	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	251.2002
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
50.43250	2.3
55.01859	3.0
55.05505	11.7
56.65479	2.5
56.96550	18.4
57.15524	2.1
59.04984	3.2
61.06931	2.1
64.90679	2.1
67.05492	100.0
68.36214	2.1
69.07044	10.5
71.04964	3.8
79.02831	2.3
79.05482	25.2
81.07037	84.6
81.07483	4.9
85.06524	4.8
91.05465	12.8
93.07022	34.0
95.08582	43.4
97.99158	3.4
105.07019	12.1
107.08597	19.1
109.10152	16.3
117.06997	4.3
119.08569	5.7
121.10111	17.6
123.11684	6.0
131.08546	10.1
135.11676	13.3
137.13252	5.0
145.10158	14.1
147.11674	3.9
149.09630	5.2
159.11642	3.1
181.12007	2.6
233.15417	4.1
249.86971	2.3
251.16209	5.3
251.20070	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	251.164
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.00311	1.8
53.03949	3.7
55.01870	6.1
55.05507	25.7
55.64775	2.4
55.86244	2.3
56.96549	9.9
57.03421	10.7
59.04992	4.9
65.03936	2.6
67.05494	65.5
69.03441	3.3
69.07058	14.0
71.05004	2.3
79.05473	84.2
81.03387	5.4
81.07040	86.3
81.16438	2.4
83.04981	4.1
83.08611	2.6
91.05459	100.0
93.07027	36.1
95.04955	20.9
95.08597	31.2
96.38210	2.3
97.06550	3.0
99.86963	2.3
103.05443	2.6
105.04528	2.4
105.07018	78.5
107.04937	22.9
107.07856	2.1
107.08561	18.8
109.06554	19.3
109.10158	10.6
115.05474	3.3
117.06973	25.3
119.08567	40.1
121.06481	4.5
121.10131	3.7
123.08023	5.3
128.06252	2.8
129.07008	10.7
131.08521	39.9
133.06494	5.9
133.10097	6.0
135.08026	4.6
137.09595	3.1
143.08606	3.1
145.10068	5.8
147.11687	5.5
155.08549	3.6
169.10141	2.7
171.11647	4.3
173.13217	4.0
187.14853	4.2
197.13274	3.8
205.15944	3.3
233.15312	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.21068	2.1
54.31960	2.4
55.01868	10.9
55.05503	43.7
56.96556	18.5
57.03436	4.9
57.07072	3.1
59.04998	3.2
61.07335	2.6
65.41157	2.5
67.05492	77.9
68.86085	2.5
69.06721	3.0
69.07059	41.8
71.04966	4.7
79.05478	37.0
81.03416	4.2
81.07040	91.1
81.07482	5.3
83.04964	11.6
83.08589	26.2
84.95997	3.4
91.05469	17.0
91.66053	2.8
93.07032	49.4
95.04966	6.0
95.08586	100.0
97.06500	10.8
97.10120	4.0
101.45593	3.6
105.07039	23.6
107.08553	21.1
108.13599	2.6
109.10134	38.0
111.08092	2.8
117.06975	3.0
119.08566	6.9
121.06526	3.4
121.10106	23.2
123.11681	9.7
130.35490	2.6
131.08580	14.8
133.10133	12.2
135.11687	6.5
136.39322	3.3
137.09636	4.1
145.10120	5.1
147.11627	4.5
149.13388	4.8
151.11072	4.0
159.11684	4.2
215.17828	3.7
233.19041	13.0
236.84103	3.0
244.27150	3.0
251.19983	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
51.08905	0.7
53.00294	0.9
55.01864	2.2
55.05497	5.3
56.96550	6.1
57.03419	1.8
57.07067	2.0
64.60099	0.8
67.05495	3.3
69.07056	7.4
71.37103	1.0
72.08138	8.0
79.05469	5.6
81.03412	1.2
81.07030	2.3
83.04987	2.3
84.33988	0.8
89.06398	0.8
91.05446	11.5
93.07018	6.0
95.04948	2.0
95.08567	2.2
97.02869	2.0
97.06507	5.4
98.97573	1.5
103.05447	23.2
105.07000	5.7
107.04931	3.8
107.08579	2.2
109.06519	1.5
115.05421	13.3
116.06255	1.3
117.06995	73.1
119.01807	1.0
119.04895	2.0
119.08576	3.5
121.06509	1.9
121.10198	1.1
123.04430	10.5
128.06244	1.5
129.06966	5.4
130.07751	1.4
131.04889	40.3
131.08548	11.7
133.06448	1.4
135.04384	4.9
135.08064	1.3
137.05940	7.3
141.06944	3.5
142.07805	1.2
143.08594	2.2
144.05701	5.8
144.09259	1.5
145.06464	100.0
145.10068	1.8
147.04364	2.0
149.01181	6.4
149.05952	36.3
154.07745	5.3
155.04898	1.5
155.05971	2.9
157.06503	1.3
158.07286	4.6
159.07996	11.3
159.11676	8.4
160.05157	1.4
161.05963	12.5
162.06706	5.7
163.03874	7.0
163.07509	49.5
165.05443	1.1
167.02296	2.1
169.10132	3.8
172.08775	1.2
173.05931	23.4
175.07530	4.6
176.04538	2.7
177.05441	5.9
178.06210	1.7
179.08427	1.3
182.07285	1.1
187.07549	3.9
187.11154	12.0
189.05431	1.6
189.08990	1.7
190.06241	3.8
191.06989	79.0
197.09508	2.2
201.65675	0.9
203.10614	1.5
204.07747	2.2
205.12218	14.2
215.10674	6.7
233.11681	68.4
251.08775	1.1
251.12595	4.2
251.58870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
55.01852	0.8
55.05489	0.5
56.32199	0.3
56.96575	0.5
57.03428	16.5
59.04976	0.9
65.03938	0.5
67.05482	0.9
69.07029	1.6
71.04973	0.6
72.08135	4.3
79.05462	2.0
80.61833	0.4
81.07044	3.4
83.04967	0.7
84.90254	0.4
85.02876	0.5
85.06495	0.4
89.33717	0.4
91.05462	30.1
93.07021	1.7
95.04942	0.8
95.08588	0.7
97.06499	2.1
103.05443	0.6
105.07001	3.7
107.04934	0.8
107.08554	0.9
109.06501	0.9
115.05435	4.1
117.07036	3.0
119.04045	0.6
119.04917	17.6
119.08559	0.9
121.06510	0.7
123.04391	2.5
128.06224	2.4
129.06973	1.9
130.07739	0.5
131.04906	3.1
131.08534	2.5
133.06459	2.0
137.05956	100.0
141.06964	1.0
143.04915	1.9
143.08556	2.4
145.06450	3.1
145.10141	2.3
147.04375	0.7
147.11612	0.6
149.05969	2.7
153.06969	0.5
154.07787	2.1
158.07268	0.7
159.08052	2.2
160.05180	2.3
161.05951	16.2
162.06691	0.6
163.03876	0.7
163.07497	0.6
169.10165	1.9
171.07983	1.9
173.05951	2.3
174.06750	0.9
175.07561	2.0
176.38217	0.4
177.05328	0.6
177.09079	1.0
179.08435	0.6
186.06682	0.7
187.07523	0.5
187.11249	0.8
189.09059	5.9
191.06989	3.4
197.09555	0.9
205.12238	0.6
215.10629	3.1
233.11711	10.4
233.15308	0.9
251.12646	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
53.03923	4.5
55.01860	9.7
55.05505	28.9
56.96549	12.5
57.03411	2.8
64.33146	2.2
66.90598	2.3
67.05485	12.9
69.03408	5.5
69.07037	6.4
71.04960	5.0
72.08121	11.8
74.12769	2.5
79.05468	26.7
81.07024	14.7
83.04946	4.9
91.05456	35.7
92.09283	4.5
93.07001	20.5
95.04408	2.5
95.04943	24.9
95.08581	4.8
95.82301	2.5
97.06512	17.9
103.05451	27.8
105.07030	22.8
107.04934	39.5
107.08556	5.0
109.02848	11.8
109.06480	2.7
115.05434	20.4
117.06998	70.2
119.04920	5.6
119.08526	5.5
121.06481	31.8
121.10077	3.6
123.04392	6.4
124.49331	2.7
126.65412	2.6
128.06184	4.5
130.07710	2.6
131.04897	32.9
131.08562	16.8
133.06476	11.3
135.04410	36.9
135.08032	6.2
137.05971	15.2
141.06990	16.1
142.07761	2.8
143.08592	5.0
145.06470	90.7
147.04356	11.0
147.11626	3.1
149.01210	3.3
149.05952	88.3
151.03990	3.9
151.07509	12.4
152.16489	2.7
153.06888	2.8
154.07777	14.8
157.06439	3.6
157.10078	2.8
158.07216	6.0
159.08031	5.1
161.05966	6.2
161.98671	2.5
163.03879	24.9
163.07491	46.7
165.05435	10.0
167.06990	58.7
169.06441	2.9
169.10078	10.8
171.08032	3.0
173.05933	25.0
175.07401	4.4
177.05409	10.1
179.06979	16.8
181.04930	100.0
181.06485	4.9
182.07185	3.2
185.06058	2.4
186.06712	3.6
187.07507	4.7
187.11116	10.8
189.09068	12.0
191.07011	75.7
197.09586	5.0
205.12120	5.2
215.10622	27.9
233.11668	90.0
233.15187	4.2
234.18491	3.0
251.09108	2.5
251.09731	3.4
251.12512	64.1
251.16344	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	3.4
59.04982	20.7
59.86259	2.8
75.21140	2.5
80.46914	2.3
82.06633	2.7
101.06010	4.0
119.08593	2.9
142.78226	3.7
250.15176	4.5
250.17712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81492	2.9
56.96555	18.4
74.31312	3.1
81.07062	9.9
85.02888	4.2
91.05426	4.0
93.06995	6.1
95.08586	4.5
98.97572	5.9
105.06996	5.5
113.40165	3.5
115.05514	3.5
116.98608	4.0
117.07000	4.6
119.08540	6.6
121.06517	6.1
129.06915	3.9
139.53896	3.1
145.06477	3.3
145.10071	3.8
147.11784	4.9
149.01189	18.5
149.05949	3.2
167.02303	4.9
171.04353	5.1
191.02200	3.6
197.94174	3.6
209.03244	3.5
233.12965	6.0
233.15327	4.6
251.08838	100.0
251.11308	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	251.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.2
55.05484	3.5
57.46544	3.0
63.16110	3.1
67.05488	7.9
68.49374	3.6
69.07057	6.4
73.44128	3.2
79.05474	4.7
81.07036	7.1
83.27457	3.3
91.05437	18.7
93.07031	9.0
95.04937	6.5
95.08572	5.4
97.06507	39.4
105.07027	4.7
107.08570	4.1
109.06501	5.2
119.04977	3.5
119.08519	4.4
123.04371	3.9
130.13646	3.2
130.81763	3.5
133.10258	3.9
136.07542	14.5
137.05936	8.3
165.05417	7.7
177.09015	8.1
188.14992	4.1
205.14220	5.1
205.98743	4.6
233.11806	6.3
251.12491	100.0
251.16290	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	249.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72452	0.4
50.77371	0.4
51.88374	0.3
52.44800	0.4
54.79538	0.5
55.01848	0.4
57.07045	0.5
58.99845	0.7
64.33250	0.4
70.99841	0.6
82.99825	0.8
89.00883	0.6
91.36893	0.5
101.00865	32.4
102.79951	0.4
103.02403	1.1
105.00317	0.4
106.31000	0.5
109.62196	0.5
113.00857	2.1
115.02469	0.6
119.01900	100.0
131.01891	9.0
133.03450	0.6
137.02934	25.0
138.69244	0.4
142.03462	0.5
143.01888	10.6
145.03439	8.1
147.01355	0.7
149.02966	2.7
157.03465	2.2
159.01413	7.2
161.02930	39.7
163.04501	1.2
171.01347	0.9
173.02948	2.9
177.02394	13.2
179.03989	0.9
189.02414	19.1
191.04031	3.4
199.04376	0.5
201.02472	3.0
203.03922	0.6
207.03474	7.6
219.03474	3.4
231.03574	0.6
249.04475	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	249.1847
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
52.39065	3.9
55.01867	39.3
55.05505	33.4
57.07062	7.4
66.05814	3.4
67.05493	33.3
69.03431	4.1
69.07051	26.3
71.08615	25.2
79.05489	30.6
81.03394	46.6
81.07045	39.4
83.04957	9.6
83.08598	19.4
85.10168	15.0
91.05466	48.3
93.07005	28.9
93.21130	3.8
95.04949	28.2
95.08594	17.9
96.97678	4.1
97.06519	17.6
99.08098	8.6
105.07032	31.9
107.05026	6.0
107.08601	17.4
109.06519	15.5
109.10142	9.3
110.37004	4.5
111.08055	16.5
113.09623	7.2
117.07047	6.7
119.08544	27.8
119.17049	3.8
121.06442	4.3
121.10138	5.9
123.04451	4.1
129.07013	5.3
131.08542	6.2
133.10088	29.5
135.08023	8.8
137.05934	4.8
137.09602	8.8
143.08588	5.4
147.11711	9.1
149.09604	5.9
151.11156	40.0
157.10117	4.4
165.12718	21.8
167.10631	6.3
221.18951	6.4
231.17397	7.7
249.18449	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	249.1846
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03933	5.2
53.72999	1.2
54.20602	1.2
55.05505	23.0
57.07052	1.1
66.68056	1.1
67.05488	35.5
69.07052	26.3
70.16997	1.2
71.04985	6.3
76.55566	1.4
79.05476	87.7
81.07040	34.6
83.04954	2.1
83.08591	6.4
85.02839	1.3
85.06510	2.0
91.05457	46.8
92.09264	4.1
93.07024	100.0
95.04936	11.2
95.08583	24.7
97.10168	1.5
105.04489	1.6
105.07010	29.8
107.08571	41.1
109.06477	1.9
109.10140	6.6
117.07005	6.4
119.08558	23.4
121.10115	31.1
123.08031	1.5
129.06999	2.6
131.08545	9.3
133.10088	18.6
135.11667	21.4
143.08521	2.1
145.10075	6.4
147.11653	15.0
149.13232	2.9
157.10129	2.6
159.11748	1.6
161.09645	2.5
161.13271	2.3
164.24911	1.2
171.11635	5.2
175.11201	2.9
189.16356	2.2
207.13751	2.3
213.16316	2.4
231.17410	2.5
249.18443	42.9
253.98740	1.4
267.33200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52439	8.1
58.75676	9.0
65.02061	10.7
65.02400	9.1
83.42406	9.8
104.32820	11.1
106.38480	15.0
106.52579	10.3
108.35826	9.8
109.54235	9.7
116.00973	10.2
116.25619	11.4
119.01865	18.2
121.65669	10.1
125.86180	9.6
146.08121	55.8
178.75626	10.1
198.11201	11.5
217.56450	10.9
249.03670	100.0
249.14365	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	247.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.5
55.01873	2.4
55.05502	15.7
56.96549	1.5
57.03424	3.1
57.07067	3.5
65.03920	1.9
67.05488	39.7
69.07062	15.0
70.90781	1.5
73.05305	1.5
79.05476	42.9
81.03391	1.7
81.07036	100.0
83.08587	3.1
91.05446	17.2
93.07023	31.5
95.04956	12.8
95.08578	23.9
97.06489	2.0
105.07014	18.6
107.04926	3.2
107.08567	17.3
109.06493	26.3
109.10136	8.0
117.06993	3.5
118.97982	2.7
119.08549	11.2
121.06472	2.5
121.10092	13.9
123.08048	4.0
123.11658	6.3
131.08563	11.9
133.10083	4.0
135.08020	2.6
135.11671	3.6
137.09523	1.8
145.10104	6.3
147.11606	2.5
149.13274	3.5
151.11174	2.1
156.66879	1.9
159.11734	3.9
173.13199	3.6
175.14742	2.2
177.16415	2.0
216.89893	1.6
229.19498	9.0
243.81265	1.7
247.16838	5.4
247.20522	35.4
253.94604	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1441
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
54.47158	0.3
60.08156	43.1
86.68539	0.4
91.05455	0.8
92.91057	0.6
93.75816	0.4
115.05426	1.9
117.06989	3.1
118.06523	46.2
139.03091	0.5
142.06482	4.2
143.07268	4.5
144.04401	0.8
144.08070	22.3
145.21722	0.5
146.05995	100.0
155.05885	0.5
160.07568	1.0
170.05989	7.3
188.07042	59.2
217.43663	0.5
247.14395	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	247.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	50.0
66.72221	0.4
75.98563	0.4
78.55096	0.4
91.05473	1.0
92.08642	0.8
114.36879	0.5
115.05444	2.5
117.05774	0.7
117.06980	2.6
118.06523	45.1
120.66800	0.5
132.24544	0.4
142.06459	3.7
143.07277	6.3
144.04407	0.6
144.06937	0.9
144.08072	25.3
146.05995	100.0
156.08002	0.5
160.07539	0.6
170.05980	8.0
188.07042	65.4
190.83142	0.5
193.42023	0.4
199.80365	0.4
208.81570	0.5
247.14458	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	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03930	2.2
54.77805	2.1
55.01860	10.9
55.05497	14.4
55.08433	2.0
56.38851	1.6
57.03412	2.3
58.30825	1.8
67.05503	24.4
69.07053	19.9
75.69019	2.0
77.12845	2.1
79.05480	49.3
81.07046	100.0
83.04958	2.8
83.08607	4.8
91.05470	36.3
93.07019	36.8
95.04959	15.3
95.08600	18.3
96.49180	2.3
97.06507	2.8
98.48414	2.4
99.08073	8.4
105.07014	33.5
107.04956	23.3
107.08593	24.5
109.06496	29.0
109.10126	3.7
111.08048	2.4
112.81371	2.1
115.05467	2.6
117.07020	15.9
119.08586	33.7
121.06503	11.1
121.10124	13.1
123.08012	4.4
129.06989	4.0
131.08571	26.0
133.06509	4.5
133.10103	13.7
135.08029	29.9
135.11674	3.7
137.09613	8.3
141.06990	5.1
143.07512	2.4
143.08560	3.0
145.10115	24.0
147.08060	3.2
147.11688	5.3
149.09598	24.5
151.11116	3.6
154.07733	2.5
157.10120	2.8
159.08020	2.8
159.11667	4.8
161.09581	3.0
163.11133	9.1
169.10104	5.1
187.14777	4.7
196.83502	2.2
201.16405	9.0
211.14725	3.9
219.17346	2.7
229.15805	15.9
244.87636	2.5
247.16876	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	247.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82328	1.8
54.32202	1.2
54.88298	1.2
60.32107	1.5
60.48581	1.7
62.06142	1.4
86.87462	1.4
91.22762	1.7
108.14774	1.5
139.50125	1.7
172.12416	1.7
229.03171	26.2
229.90410	1.7
230.29359	2.1
247.04193	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	247.1303
Annotation	Val Glu
Peak:m/z	Relative Intensity
56.96555	1.0
60.12179	0.9
64.33408	1.3
67.05460	1.1
75.46643	0.9
77.82060	1.2
78.06342	1.0
95.08583	1.5
97.71788	0.9
99.97112	1.1
105.06996	1.6
107.08575	1.0
148.12009	1.3
247.13000	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	247.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.8
55.05499	6.4
56.96554	4.3
57.03427	3.8
59.04979	4.1
59.69529	3.9
64.25549	3.7
64.33083	4.7
67.05476	18.2
69.03407	21.7
69.07046	21.9
70.73788	4.0
71.04973	7.2
76.55844	6.4
77.81361	4.0
79.05465	28.3
81.07035	5.8
82.96233	4.7
86.09695	5.7
91.05454	43.6
93.07023	29.1
95.04945	19.8
95.08593	8.1
97.02901	5.1
97.06540	29.3
105.07010	39.7
107.04916	4.4
107.08562	24.4
109.06561	7.6
117.06995	10.7
119.08593	35.3
121.06461	9.8
121.10091	9.7
123.08055	9.2
125.05985	6.2
128.06160	9.2
129.06970	7.2
130.07765	5.6
131.08571	41.5
133.06528	5.2
133.10083	9.2
135.07965	15.9
137.06087	5.4
142.07794	5.8
143.08540	22.5
145.06450	7.8
145.10114	35.5
146.05991	5.6
149.09589	6.1
151.07547	26.1
153.06970	7.6
155.08539	7.4
158.10860	18.6
159.08008	43.9
159.09157	12.7
159.11720	8.9
161.09612	7.1
168.09338	5.4
171.08072	5.1
172.08789	19.3
173.09552	7.5
173.13249	50.8
183.11732	8.9
185.10757	23.4
186.10135	10.0
186.11700	38.6
187.03893	9.4
187.07484	8.2
187.11143	5.1
201.12680	29.6
201.14140	15.1
214.11047	33.9
219.13655	17.9
229.13547	100.0
247.05911	24.5
247.14491	53.5
254.60205	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	246.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31038	0.4
53.85050	0.5
55.07090	0.4
57.07070	12.0
57.07339	0.9
58.06572	0.7
58.73254	0.4
62.06049	0.7
65.04640	0.5
67.35828	0.5
70.06576	19.3
70.67606	0.5
71.08612	2.8
85.10184	1.2
88.07614	29.4
102.09158	8.1
104.71742	0.5
106.08659	12.6
134.77412	0.6
202.21497	0.7
228.23180	9.0
246.24239	100.0
256.96976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96245	1.2
54.81617	1.8
55.05509	1.8
56.05018	1.8
56.96558	100.0
57.03414	1.4
58.06597	2.2
60.04519	2.6
65.51257	1.2
69.03416	2.2
69.07040	1.6
70.06579	5.8
70.98109	8.8
72.08135	8.4
72.93798	2.0
73.02891	1.5
74.97580	7.0
81.03420	1.8
84.04496	12.8
84.08138	2.3
84.96018	6.7
85.02892	7.0
85.06535	2.3
86.09694	8.0
88.03983	11.6
88.99153	5.9
97.02917	1.8
98.97591	5.7
99.04454	2.0
100.03966	1.5
100.07612	7.1
100.99140	2.2
102.05507	12.5
107.00153	2.1
110.97491	1.7
116.98612	2.5
117.10255	6.0
118.08646	1.7
119.00198	3.1
121.95663	1.4
123.04421	2.0
126.03712	9.6
128.98619	3.0
129.68304	1.5
130.96555	2.0
134.99637	2.4
140.76962	1.4
144.98045	12.0
146.99634	6.4
148.06073	6.7
148.97609	3.7
152.51636	2.0
156.03300	3.3
162.99092	29.4
166.98613	2.5
173.05972	1.6
174.04402	5.3
181.00211	13.4
187.04680	2.1
205.00143	11.7
223.01213	29.0
224.37341	1.6
228.05504	1.7
229.05009	6.2
236.57555	1.5
241.02318	7.4
246.18077	2.6
247.01392	1.6
247.04036	4.0
247.06508	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71801	0.3
51.31664	0.3
53.35139	0.3
54.81648	0.3
55.05486	0.3
56.96547	0.4
56.96906	0.3
57.07064	0.5
66.50587	0.3
67.05495	6.2
69.03408	0.3
69.07056	6.4
69.74968	0.3
71.04980	2.3
72.93782	0.3
75.04447	0.3
79.05481	0.7
81.03432	0.3
81.07034	3.1
83.04955	0.5
85.06535	0.3
88.07610	0.6
91.05472	1.3
92.63899	0.4
93.07021	2.2
95.04943	6.7
95.08584	5.2
105.07007	0.7
106.08638	0.4
107.08575	1.2
109.06523	0.6
109.10147	100.0
119.08564	4.2
121.06476	2.2
123.11697	8.7
127.11176	27.6
133.10110	6.1
137.09604	8.2
139.07573	1.2
143.08511	1.2
151.11206	2.0
155.10667	2.1
161.09612	6.2
169.12196	0.5
173.11694	5.8
179.10638	11.7
181.45313	0.3
183.13863	0.6
197.11714	20.3
211.13272	9.1
229.14268	2.4
246.24254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1813
Annotation	Valyllysine
Peak:m/z	Relative Intensity
53.29304	0.6
56.05036	1.0
57.03868	0.6
58.06313	1.0
58.06593	30.8
59.07367	5.8
60.08156	8.0
68.33640	0.6
70.06603	1.0
71.19927	0.7
72.04501	0.9
72.08123	0.6
78.42822	0.6
82.06582	7.4
84.08132	15.8
85.05264	4.9
98.09645	3.4
99.09219	0.9
100.07597	100.0
104.10715	1.1
110.70718	0.7
110.89756	0.7
114.01884	1.1
117.10237	76.0
118.08624	8.0
119.01914	1.6
121.01662	0.9
127.08601	1.4
128.07068	3.2
137.02943	1.0
169.09686	1.4
170.08107	1.1
172.18262	0.8
186.06104	0.9
187.04536	1.1
187.10597	0.8
205.05577	0.8
214.68628	0.9
214.95938	0.8
219.64774	0.8
228.16957	1.2
229.15408	1.1
246.18089	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40913	2.0
54.81337	2.3
55.05490	2.5
56.05014	2.8
63.32396	2.2
70.06566	23.9
70.08763	2.1
71.04958	3.1
72.08139	40.0
77.43525	2.2
82.06586	2.9
83.06100	3.1
84.04488	17.1
84.08123	5.2
100.11221	5.5
110.04740	3.5
110.09680	3.5
112.05068	100.0
113.03458	18.5
113.05418	6.3
116.07058	11.3
119.38327	3.0
125.07074	15.8
158.08134	5.9
181.09692	3.1
184.06282	3.6
195.11162	4.0
210.07523	2.7
227.10187	3.4
227.13939	9.2
244.16544	2.8
245.00511	4.5
245.11200	11.0
245.14948	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	245.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03144	2.8
55.01884	2.6
55.05501	21.0
55.93524	4.9
56.63715	2.3
57.03421	4.0
57.07065	3.9
59.07283	3.0
59.90443	2.5
67.05492	83.3
68.18561	2.3
69.07051	15.3
71.04972	51.6
72.93769	24.1
79.05482	23.0
81.07035	100.0
83.04941	10.7
83.08595	5.3
85.06532	15.0
89.58015	2.8
90.94807	21.7
91.05462	56.0
93.07021	17.7
95.08613	6.8
97.06508	3.1
102.96889	10.1
105.07010	31.9
106.77702	3.2
107.08556	32.8
108.95853	3.6
109.10123	45.5
120.97897	11.9
121.10016	3.5
123.11719	23.7
131.08553	4.2
133.10103	54.7
138.98969	4.9
149.96129	5.5
151.11198	29.5
167.97162	17.0
169.12201	5.1
183.13844	5.9
187.13254	67.2
187.14767	4.6
190.98697	5.2
196.64679	2.9
201.14801	16.1
227.22202	4.0
257.95697	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68908	1.2
55.01856	1.6
55.05507	16.7
55.93502	2.0
56.96568	1.2
57.03430	2.1
57.07055	2.2
60.32783	1.2
67.05493	82.6
67.58032	1.3
69.03404	1.3
69.07063	13.9
71.04974	55.0
72.93766	13.0
79.05466	14.2
81.07039	100.0
83.04958	8.7
83.08586	7.5
85.02861	1.5
85.06528	20.4
90.94803	9.5
91.05461	54.1
92.08710	3.0
93.07016	12.6
95.04953	3.5
95.08577	8.4
97.06516	5.8
102.96829	5.6
105.07014	34.3
107.08583	32.3
108.95839	3.0
109.06479	6.2
109.10138	49.9
113.96357	2.0
120.97891	2.5
123.11674	25.6
131.08484	1.5
133.10110	63.4
138.98898	3.0
149.96002	3.0
151.11176	30.4
167.97101	6.1
169.12204	9.0
172.97679	2.1
183.13762	9.6
187.13263	80.1
190.98755	2.0
201.14836	18.6
228.91895	1.4
263.97800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.93512	1.9
69.07054	1.2
71.92975	0.7
72.08152	0.5
72.93772	5.2
86.09690	100.0
87.04469	0.3
89.94015	0.6
90.94802	5.8
92.08718	0.7
93.07088	0.3
98.97568	0.3
99.52299	0.4
102.96835	0.4
108.95859	1.6
113.96371	0.6
131.97385	0.5
132.10197	1.7
142.03233	0.6
149.96078	3.2
167.97144	4.1
172.97646	2.2
190.98746	0.7
199.18073	0.4
199.33122	0.3
245.18539	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	244.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.05506	9.4
55.06900	0.4
56.80262	0.5
57.07069	3.0
61.63026	0.4
67.05487	2.7
69.03399	1.5
69.07057	13.2
75.05835	0.4
79.05475	9.3
81.07031	10.9
83.04974	0.7
83.08595	1.9
84.08184	0.4
85.06556	0.5
91.05457	24.9
92.08644	0.4
93.07017	16.7
93.07570	0.8
94.52671	0.5
95.04946	1.8
95.08583	8.4
97.06494	1.0
103.05462	0.8
105.07012	88.0
107.08574	37.3
109.06480	3.4
109.10121	1.8
112.01723	0.5
113.14182	0.5
115.05440	2.0
116.06226	0.8
117.06995	7.9
119.08557	100.0
121.06490	3.2
121.10124	15.8
123.08022	2.0
123.11651	4.3
129.07005	2.2
130.07748	0.9
131.08540	26.8
132.09328	1.0
133.10110	28.3
135.08037	6.2
135.11650	5.9
143.08549	4.1
144.09337	0.7
144.75304	0.5
145.10094	10.8
146.10841	0.9
147.11665	92.6
149.09595	4.4
149.13223	3.7
151.11209	0.5
158.10883	4.6
159.11638	2.2
161.13222	68.1
163.11115	0.8
163.14772	7.4
165.12698	4.6
173.13219	17.5
179.14276	7.4
191.14267	17.1
209.15309	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	244.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59019	0.2
60.20332	0.2
82.99798	0.6
92.70016	0.2
100.02418	1.4
101.00854	13.8
102.00936	0.4
118.03511	0.9
119.01893	100.0
120.01971	4.7
121.01608	0.4
124.02428	0.3
135.99959	0.2
137.02931	41.4
138.03000	1.8
139.03374	0.2
141.89157	0.2
142.03470	12.9
143.01857	0.4
143.03621	0.4
156.97339	0.3
159.99925	0.4
160.04515	5.3
161.02919	13.7
165.05139	0.2
177.00858	2.8
178.00998	16.5
179.00711	2.5
179.03969	31.7
184.04459	1.5
194.04109	0.2
196.02109	0.4
197.99187	1.6
202.00989	0.4
202.05530	2.3
203.03986	0.9
218.04150	2.2
219.01930	1.7
220.02077	16.8
221.01767	4.1
221.04936	2.4
226.00993	0.3
244.01990	2.1
256.96503	0.3
262.03128	39.2
263.02811	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08504	0.2
63.07600	0.3
63.99270	0.2
64.33022	0.3
74.72944	0.3
92.83144	0.3
94.21370	0.3
95.44067	0.3
101.00864	3.6
107.69024	0.3
118.03484	0.6
119.01895	27.0
129.65677	0.3
134.99854	1.7
136.04561	0.4
137.02937	9.8
142.03452	2.6
149.45514	0.3
153.00945	1.2
158.99858	1.8
160.04541	4.9
165.97734	0.3
177.00916	47.3
178.00990	1.3
178.05573	2.6
179.01285	0.3
182.99759	0.3
193.04062	0.4
195.01970	1.5
201.00865	1.4
217.04022	5.5
219.01967	46.2
220.02025	2.5
225.00888	1.6
237.98544	0.4
242.03525	0.4
243.01860	5.3
259.15552	0.3
261.03003	100.0
262.03125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.159
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
50.49698	2.0
55.01854	11.1
55.05264	4.0
55.05508	67.6
56.96540	2.9
57.03424	10.7
57.07057	3.3
67.05492	59.8
69.03403	11.3
69.07051	24.0
69.72279	2.1
71.04986	82.9
76.56049	3.1
79.05054	3.6
79.05476	60.1
81.02941	3.8
81.03409	98.0
81.07045	100.0
83.04980	29.1
83.08611	43.7
84.04533	2.6
85.02848	3.1
85.06541	4.0
87.25051	2.5
91.04902	2.8
91.05471	75.7
93.07045	29.0
93.87472	2.5
95.04960	36.8
95.08616	25.6
97.02834	4.5
97.06492	15.9
97.10159	22.5
99.08067	4.5
105.07023	55.5
107.04954	4.9
107.08613	22.5
109.06498	15.0
109.10118	3.0
111.08074	16.7
116.98563	5.2
117.06966	3.1
119.08560	55.5
121.10139	19.5
123.08037	3.7
123.11678	3.9
125.09606	13.1
129.06989	19.7
131.08528	24.0
133.10117	13.2
136.99217	3.0
142.07758	3.5
146.96046	2.8
147.08084	5.4
147.11667	64.5
149.09621	4.7
157.10106	18.8
165.12727	22.9
175.11220	19.3
193.12236	67.7
210.63844	2.9
211.13264	70.5
225.14948	19.9
243.06398	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	243.1589
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03934	7.2
54.28094	1.0
55.01860	7.5
55.05503	37.2
57.03424	6.9
59.04987	41.9
61.02909	6.2
62.89930	1.3
63.07856	1.1
65.03934	4.8
67.05490	77.6
67.21996	1.0
69.03409	2.5
69.07050	24.8
69.07399	1.4
71.01328	1.5
71.04974	86.5
79.05471	92.8
81.03394	38.8
81.07035	83.7
82.91464	1.0
83.04963	23.4
83.08588	11.8
85.02867	3.9
85.06516	11.3
87.04451	8.6
91.05453	100.0
92.09153	1.1
93.07021	61.2
95.04946	22.3
95.08581	31.5
97.06507	22.3
97.10111	2.3
99.08064	2.6
101.06075	1.1
105.04550	1.4
105.07008	62.2
107.04943	7.2
107.08572	62.0
109.06512	13.8
109.10124	2.1
111.04422	2.1
111.08036	8.3
113.05994	4.4
115.05434	1.7
117.06972	2.3
119.08547	41.8
119.09381	1.5
121.06499	1.4
121.10116	42.8
123.08055	5.0
123.11705	2.6
127.07548	1.2
129.06970	29.2
131.08536	43.1
133.06500	2.7
133.09065	1.7
133.10095	49.2
134.29068	1.1
137.09615	1.5
142.07733	8.2
147.08044	6.7
147.11647	32.1
147.12735	1.6
149.09598	54.7
151.11125	1.5
157.10098	29.9
165.12700	4.8
167.10612	7.9
175.11122	28.6
179.14240	1.2
185.11864	1.4
193.12189	34.2
197.15405	6.7
199.13251	8.0
211.13251	25.0
225.14850	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81935	0.4
55.05497	0.4
56.96543	1.0
57.07071	3.8
58.06583	2.6
62.69605	0.4
72.46677	0.4
74.09698	1.9
83.95524	0.4
86.09676	0.7
91.05454	2.2
92.05825	0.6
92.08653	0.9
92.11979	0.4
95.52257	0.5
98.97571	4.6
99.97874	0.9
100.11241	22.1
100.97979	0.5
116.98566	5.3
117.98954	0.8
118.96705	0.8
128.14325	2.5
130.15878	7.7
134.99617	4.3
135.99945	0.8
142.15894	60.2
151.83858	0.5
153.00677	0.8
177.98120	0.5
184.20580	8.5
186.22144	20.3
242.28374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1748
Annotation	Valeroidine
Peak:m/z	Relative Intensity
50.26706	0.5
50.93230	0.4
55.01868	9.4
55.05490	2.2
56.96558	0.6
63.53729	0.4
63.94813	0.4
67.05493	2.1
68.05010	2.7
69.03418	0.7
69.07021	0.8
70.02931	2.0
70.06572	5.2
71.04980	43.1
71.07340	0.5
71.08253	0.8
71.08618	21.6
79.05431	0.9
80.05006	1.0
81.07034	1.2
82.06563	0.8
83.04962	0.7
83.08591	0.6
84.04453	0.5
86.06057	7.4
86.57107	0.5
94.06567	0.7
95.04964	0.7
95.07353	0.5
95.08571	2.1
95.98225	0.5
96.08112	41.1
98.06028	1.8
98.09671	31.5
98.97558	3.2
99.08073	11.4
99.97895	0.7
106.06539	0.9
107.07290	0.7
108.08104	12.2
109.10155	0.8
110.06013	0.6
112.07559	0.9
116.98600	3.9
120.08092	0.8
121.08910	0.6
122.06012	16.9
124.07583	0.9
125.08353	5.5
126.09139	1.2
126.12801	4.5
134.99620	1.2
136.07536	2.2
139.11153	1.8
140.07033	10.8
151.11195	2.3
154.12244	5.5
155.10677	0.7
178.15881	16.1
179.14284	1.1
196.16963	19.0
206.15366	18.2
214.95438	0.6
223.17580	0.6
224.16422	100.0
234.16907	0.6
242.17433	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	242.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58653	0.2
54.81584	0.2
55.01857	0.3
55.05492	0.5
57.03425	0.2
57.07047	0.8
64.36664	0.2
67.05476	0.5
68.18554	0.2
69.03403	2.0
71.20597	0.2
79.05476	4.0
81.03387	1.0
81.07003	0.4
83.04960	1.1
85.02911	0.3
91.05462	12.8
92.09451	0.3
93.07025	12.5
95.04931	1.0
95.08572	0.4
98.97556	1.8
105.03308	0.4
105.06997	4.3
107.04948	3.9
107.08575	1.9
111.04406	1.9
111.11432	0.2
116.06212	0.2
116.84875	0.2
116.98601	1.1
119.08546	2.0
121.06496	1.0
121.10123	14.7
123.08040	1.7
129.06943	0.3
131.08546	7.4
133.07567	0.4
134.99625	0.5
149.09598	100.0
155.72435	0.2
167.10641	41.4
181.10143	0.3
210.24030	0.2
230.93600	0.2
242.15305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.05502	3.7
56.96556	4.0
57.03431	3.7
57.07054	2.2
67.05476	10.1
69.03391	2.8
69.07050	2.5
71.04959	2.9
79.05476	23.2
81.07039	27.2
87.36605	1.5
91.05456	21.4
93.06480	2.2
93.07021	30.4
95.04939	2.9
95.08580	4.0
97.06494	2.4
98.97567	80.8
105.07019	20.2
107.08578	95.1
109.06493	16.0
109.10146	11.3
111.04411	2.0
111.08060	3.4
116.97826	3.0
116.98596	55.0
117.06984	12.7
119.08553	24.6
121.06500	3.6
121.10110	6.9
123.04427	1.6
125.02291	2.2
125.05974	2.1
125.09605	6.5
131.08560	3.6
133.06407	1.6
133.10118	16.3
134.99634	29.1
135.08032	100.0
137.05966	41.8
139.07527	3.1
140.00121	2.4
141.51033	1.8
145.06396	1.9
145.31177	1.6
149.06020	2.9
149.09596	3.4
153.00728	2.6
153.09085	11.6
158.01184	3.4
159.11665	15.6
161.09602	3.1
161.13202	11.3
163.07468	14.9
177.00700	6.5
177.12712	3.5
179.10628	8.4
181.08562	60.5
187.11089	2.3
195.01703	6.2
196.16901	2.3
197.17403	3.5
205.12262	6.6
210.41966	1.7
223.13234	20.8
241.14288	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	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14130	0.2
57.03416	0.3
58.06588	26.7
59.30040	0.2
70.06574	4.6
72.08138	0.5
79.15974	0.2
81.03378	0.3
84.08125	13.4
85.06527	0.4
98.06077	0.3
98.09676	2.1
100.11221	0.4
101.02386	0.3
114.05463	0.4
124.07597	0.5
126.05456	0.3
126.09091	0.3
128.10690	4.3
129.01866	0.4
134.05965	2.1
136.07545	1.3
144.10173	2.6
152.07027	1.9
157.01236	0.3
164.07050	10.5
168.10185	1.8
181.09706	0.3
189.03947	0.3
196.09673	8.5
213.16000	0.4
223.10800	0.4
241.15413	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	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.04731	0.2
55.67572	0.2
58.06592	28.9
70.06573	3.8
71.04993	0.4
72.08143	0.3
81.03408	0.5
84.07617	0.5
84.08131	14.6
95.49913	0.3
98.06058	0.3
98.09687	2.3
98.97547	1.1
100.11221	0.7
104.96243	0.3
108.27163	0.3
114.05507	0.6
116.07082	0.4
116.10626	0.4
116.98568	1.0
126.05508	0.4
126.09131	0.5
128.10684	5.2
128.95848	0.3
134.99615	0.3
135.04378	0.3
137.73055	0.3
140.66768	0.3
143.23912	0.2
144.10173	1.7
152.04750	1.0
152.10559	0.3
164.07010	2.4
167.06952	0.4
168.10197	1.9
193.81573	0.3
196.09662	7.5
213.15955	0.4
217.31471	0.3
224.67558	0.3
241.15431	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	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02240	1.0
53.03946	1.4
54.52488	0.9
55.01860	1.8
55.05504	20.0
56.96554	4.7
57.03429	100.0
63.90551	1.0
67.05491	22.5
69.07045	7.0
71.01336	8.0
71.04976	2.0
79.05478	58.3
81.03382	2.3
81.07032	13.1
83.04973	14.1
83.08608	21.1
85.12748	1.1
91.05465	22.6
93.07028	69.3
95.04953	7.8
95.08582	21.2
98.97562	61.0
100.40484	1.3
105.07022	6.3
107.04952	2.1
107.08587	5.9
114.13898	1.2
116.98602	49.5
119.08562	2.2
121.10126	34.1
123.07994	1.4
128.15810	1.3
131.08540	10.1
134.99631	23.7
139.11176	12.1
140.00203	2.4
149.09593	6.5
153.00696	1.8
157.32565	1.3
158.01251	4.7
167.10660	7.8
177.00711	6.7
195.01721	5.4
201.55319	1.3
241.09283	1.8
241.14273	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	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05509	23.5
57.03430	100.0
62.08536	1.7
66.77927	1.6
67.05495	30.5
69.07054	9.7
71.01341	7.8
71.04993	2.3
72.12917	1.4
76.11405	1.4
79.05476	63.5
81.03400	2.2
81.07037	14.3
83.04963	12.8
83.08606	25.4
85.02921	1.4
91.05466	20.1
93.07030	78.9
95.04951	3.6
95.08598	21.8
97.06517	2.1
98.97568	36.2
103.05475	1.4
105.07036	8.4
107.04948	2.5
107.08601	7.8
116.98602	31.8
121.10116	44.6
131.08559	9.3
134.99605	12.7
137.05954	3.6
139.11176	11.1
140.00172	1.8
149.09563	2.5
153.00630	1.7
167.10652	9.2
177.00752	2.0
241.14310	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85012	0.8
54.82032	1.1
54.82621	1.0
55.01866	1.2
55.05506	2.4
56.96552	4.8
57.03422	4.9
59.05003	0.9
59.22010	0.9
63.21529	0.8
64.33701	1.1
67.05499	9.4
69.03419	2.0
69.07043	1.4
70.79848	0.8
71.04974	4.3
79.05471	23.0
81.03425	1.5
81.07040	31.5
85.97152	1.0
91.05457	32.1
92.08677	1.4
93.07020	31.5
95.04962	5.7
95.08564	5.8
96.84695	1.0
97.02880	1.6
97.06496	1.6
98.33469	1.2
98.97562	53.9
105.07006	19.2
106.52686	1.0
107.08576	90.6
109.06506	10.8
109.10151	9.1
111.04463	1.6
111.08069	4.2
115.05433	1.2
116.97823	2.1
116.98606	39.0
117.06985	13.1
119.06077	1.3
119.08554	23.6
121.06470	2.4
121.10092	2.0
121.49546	1.0
123.04433	1.9
123.08047	2.1
125.02274	1.2
125.09602	6.8
131.01825	1.2
131.08542	7.3
133.06465	1.4
133.10120	12.5
134.99626	17.6
135.04448	1.4
135.08031	100.0
137.05954	42.4
137.09621	2.4
139.07512	6.2
140.00154	1.1
144.09357	1.7
149.05954	2.3
149.09613	2.0
153.00685	2.2
153.09116	8.9
158.01245	2.0
159.11646	11.9
161.09599	1.3
161.13242	6.7
163.07492	15.3
169.03416	1.6
169.46930	1.1
177.00729	5.1
177.12787	4.2
179.10687	5.8
181.08563	50.2
181.10156	1.7
186.07222	1.0
187.04503	2.1
195.01736	4.7
205.12276	5.9
211.05746	0.9
223.13251	13.0
241.14330	19.2
249.17091	1.0
260.41037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46272	0.1
54.81702	0.1
56.96563	0.2
57.03437	0.1
58.06586	10.5
58.26959	0.1
59.75039	0.1
59.76653	0.1
59.92353	0.1
62.68483	0.1
70.06578	2.0
72.08145	0.2
81.03400	0.2
84.08123	5.6
85.02930	0.1
93.05736	0.2
98.09682	0.8
98.97545	1.1
101.02354	0.2
108.08089	1.0
110.87336	0.1
114.05515	0.2
115.03882	0.2
116.98586	0.8
122.05966	0.3
124.07565	0.3
128.10696	1.8
129.01834	0.2
134.05986	9.3
134.99631	0.2
136.07549	6.6
138.05562	0.2
140.06973	0.2
144.10185	0.6
145.62297	0.2
146.06039	0.3
147.06755	1.1
149.70317	0.1
152.07024	3.5
154.08577	0.7
163.08614	3.3
164.07027	100.0
165.07294	0.1
168.10161	0.7
169.09775	0.1
181.09668	3.9
182.08043	1.3
189.03853	0.3
195.08421	0.1
196.09647	3.2
206.08090	0.6
213.15881	0.1
223.10724	4.9
241.11888	2.5
241.15405	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	240.1592
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
55.01866	10.8
55.05502	1.0
55.66909	0.4
56.05025	1.1
56.96547	2.8
67.05484	4.3
68.05008	4.7
69.03416	1.3
69.05786	0.9
69.07052	23.1
70.02932	2.3
70.06577	25.4
70.38110	0.5
71.04977	28.9
76.65108	0.5
79.05472	7.6
80.04986	2.1
81.07037	6.2
82.06577	1.1
82.49097	0.5
83.03708	0.9
83.04972	0.8
84.02107	1.3
84.08115	0.7
86.06042	2.6
86.40491	0.5
91.05468	1.1
93.07043	2.1
94.06559	3.1
95.07341	1.1
96.04473	4.7
96.08109	29.1
97.05235	4.2
97.06496	2.0
98.06040	1.0
98.09678	12.3
98.97565	9.3
100.07600	0.8
105.07001	0.7
106.06527	8.9
107.04961	0.6
107.08566	2.6
108.08106	9.6
109.06476	1.1
109.10159	2.1
112.07566	0.6
116.97205	0.8
116.98601	7.9
118.06500	0.7
120.08081	1.0
120.56976	0.5
121.08861	0.5
122.06000	14.1
122.09709	0.8
124.07566	100.0
124.11174	2.1
125.08356	8.9
126.09135	2.4
129.06999	0.5
134.99655	3.3
136.07582	1.9
140.07030	12.7
148.07578	0.9
150.12750	7.0
152.07074	3.3
152.10680	1.2
153.07825	13.6
158.01277	0.6
164.03032	2.0
164.53368	1.2
169.52661	2.2
175.98550	0.6
176.02249	1.9
176.14331	5.9
178.02803	2.0
178.53169	12.1
179.03384	3.1
186.04573	0.7
191.08284	0.6
194.15369	8.8
204.13773	7.5
222.14845	91.8
240.09186	0.7
240.15952	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	44.4
55.05515	2.6
57.03428	78.0
57.07064	2.6
59.04994	14.6
61.02910	3.4
67.05515	2.0
69.03423	2.8
69.07040	2.3
71.01338	35.9
71.04983	15.6
73.02901	20.6
74.58199	1.6
75.04490	2.6
75.40301	1.3
78.44012	1.5
81.07041	2.7
83.01319	15.5
84.08123	81.4
84.94237	1.5
85.02888	12.5
87.00810	7.3
87.04450	42.6
87.04980	2.2
89.02367	15.4
95.01314	9.0
97.02806	1.8
101.02357	83.8
103.03930	9.2
109.15036	2.0
110.06036	22.0
111.00789	7.3
113.02351	9.5
115.03906	100.0
117.01878	5.7
118.03470	2.1
119.03419	1.8
127.03899	2.9
129.01805	44.6
130.08594	11.6
131.03415	2.2
137.28281	1.5
141.01859	2.4
143.03387	27.7
147.02986	2.3
154.60628	1.6
157.01303	88.7
159.02890	2.5
160.06007	1.9
161.04456	10.7
171.02873	17.3
175.02380	9.6
189.03900	75.1
198.18456	2.7
203.05441	23.9
207.05016	7.2
239.08551	11.9
239.13918	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01597	1.2
55.01867	43.3
57.03429	73.8
58.92780	1.0
59.04985	10.8
61.02926	4.1
65.36659	0.9
65.54857	1.1
67.05476	1.4
71.01337	40.2
71.04977	14.4
71.91541	1.0
72.08140	1.4
73.02896	20.4
73.92049	1.0
75.04455	4.2
77.13063	1.2
81.04539	1.4
83.01325	11.8
84.08129	23.1
85.02900	6.6
87.00803	4.4
87.04447	35.9
89.02370	13.9
91.05482	2.0
95.01299	4.7
99.04498	1.0
101.02357	77.0
103.03893	8.4
110.06023	3.9
111.00777	5.4
113.02357	6.7
115.03909	95.8
117.01911	1.8
119.03476	1.0
119.04932	1.1
121.06461	1.0
122.07143	1.7
127.03960	1.7
128.21313	1.0
129.01808	37.8
130.08617	2.1
131.03391	2.2
133.04955	2.3
136.07553	9.4
141.01846	1.7
143.03375	25.8
147.02859	1.3
157.01297	100.0
159.02873	2.2
161.04396	8.0
171.02846	13.8
175.02373	7.2
189.03908	83.3
203.05505	19.4
207.04953	7.6
239.08931	5.9
239.13994	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05497	3.8
56.04987	0.5
56.96550	3.1
57.03426	7.4
57.07061	3.5
59.04980	0.7
62.62327	0.5
64.01720	0.5
67.05484	2.7
68.66481	0.5
69.03420	1.0
69.07053	6.9
71.04964	2.1
72.08124	6.9
75.04462	1.1
79.05469	3.7
80.77505	0.6
81.03389	0.6
81.07042	12.9
83.04970	1.0
83.08588	2.4
84.04480	9.5
85.02904	2.1
85.06510	1.1
91.05460	4.1
92.09306	0.7
93.07017	8.9
95.04923	3.9
95.08582	8.6
97.06531	4.1
97.10101	0.7
98.97556	4.6
99.04402	0.7
99.08081	0.7
102.04698	6.3
103.05446	39.7
105.07018	12.1
107.04962	1.2
107.08578	7.4
108.84963	0.6
109.06531	1.1
109.10127	5.3
111.08050	0.9
115.05479	2.1
116.98616	4.2
117.06986	1.1
119.08541	4.0
120.08113	0.6
121.06495	2.4
121.10135	4.5
123.08056	0.8
123.11677	3.1
126.03719	2.4
127.11118	0.6
130.04131	17.1
130.05014	2.6
131.04907	67.2
131.08569	1.2
133.06470	6.5
133.10126	2.5
134.09627	0.5
134.99641	4.1
135.04407	0.6
135.08023	1.2
135.11691	4.3
137.05928	3.0
137.09612	0.7
137.13211	0.9
139.01849	0.6
141.06981	0.6
145.06487	0.9
145.10110	2.6
147.04379	4.9
147.11627	0.8
148.05170	100.0
148.11188	1.3
149.09621	1.0
149.10718	5.0
149.13177	0.7
150.11021	0.6
151.03798	0.6
151.11147	0.7
158.07243	0.8
159.08015	0.7
159.11617	2.9
160.05171	2.6
161.05957	9.5
161.13281	0.9
162.06712	7.3
163.07507	29.2
163.11136	1.1
164.13095	5.7
165.03337	0.6
172.94223	1.0
175.07512	1.3
175.14796	0.6
175.16460	0.5
177.12717	0.9
180.08429	0.8
190.95316	2.3
191.17946	2.4
197.10983	0.9
201.09041	0.6
201.16335	1.3
204.07755	0.9
219.17416	4.4
220.43851	0.6
237.11244	0.9
237.18382	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	237.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01859	0.7
55.05509	6.4
56.96563	4.4
57.03218	0.4
57.03434	7.3
57.07060	3.5
59.04986	0.7
60.27996	0.5
64.33736	0.5
65.03911	2.4
67.05489	6.1
69.03416	2.9
69.07052	7.8
71.04952	3.3
72.08134	1.2
73.19666	0.5
73.50714	0.5
75.04430	0.7
79.05472	4.7
81.03382	0.8
81.07039	14.7
83.04957	6.5
83.08598	1.2
85.02885	2.7
85.06526	2.1
91.05464	59.3
92.05784	4.9
92.09280	1.0
93.07027	9.0
95.04942	4.9
95.08603	9.5
97.06504	3.2
97.10151	0.6
98.97575	7.0
100.11231	3.5
101.11539	0.7
102.04668	6.9
103.05452	72.9
104.39081	0.6
104.55053	0.5
105.07005	10.5
107.04942	0.9
107.08574	12.1
109.06484	3.5
109.10131	5.4
110.97533	2.0
111.11610	0.5
112.07526	0.6
112.99131	1.1
115.05445	2.4
116.98607	5.0
117.06975	2.3
119.04913	0.7
119.08567	6.1
121.06489	2.4
121.10108	5.8
123.08047	1.2
123.11675	2.9
125.05966	0.7
128.98586	3.8
129.06982	3.0
130.04126	17.8
130.07674	0.8
131.00140	4.6
131.04906	100.0
131.08566	4.4
133.06459	4.4
133.10112	4.3
134.99631	2.8
135.08028	3.8
135.11708	4.3
137.09567	6.2
137.13225	1.0
143.00124	3.0
145.06442	1.3
145.10109	4.8
146.99638	3.2
147.04369	2.2
147.07961	0.8
147.11650	1.1
148.05174	66.3
149.01195	3.0
149.09583	1.1
149.13235	0.9
151.07428	0.7
157.06467	0.7
159.08109	0.8
159.11711	4.1
160.05142	2.1
161.01195	4.6
161.05937	5.8
161.09641	2.3
161.13205	0.9
162.06735	4.3
163.07515	22.2
163.11075	1.2
169.06422	0.7
173.09589	0.8
173.13205	1.2
174.06735	1.0
175.07523	1.1
175.14827	0.9
177.12662	0.8
179.10580	0.6
185.01163	2.7
189.09056	3.0
191.02213	0.9
191.17889	3.2
201.08969	0.8
201.16306	2.3
203.02252	8.1
204.07933	0.7
216.44193	0.6
219.10176	2.2
219.17407	4.6
221.03271	2.4
237.11014	1.3
237.18513	3.9
238.17801	0.6
245.03296	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	230.1901
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
51.90928	0.3
54.81498	0.4
91.96684	0.3
94.50140	0.3
95.04945	0.5
98.05927	0.3
107.04959	2.8
124.57628	0.3
128.02121	1.4
130.06459	0.7
131.07269	0.7
144.08043	0.3
154.57706	0.3
156.13647	0.4
158.09644	1.9
166.03722	0.9
172.11192	2.0
173.11960	5.5
177.54433	0.8
179.59290	0.4
186.12747	1.8
186.54927	0.5
187.13506	11.2
188.14218	0.8
197.03044	0.5
200.14380	2.5
214.15869	16.6
215.16661	3.1
225.02464	0.8
230.19006	100.0
237.02452	0.8
254.05774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2477
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
55.05523	0.6
57.07069	27.4
58.06575	3.4
61.15320	0.7
62.06081	10.9
71.08617	10.9
85.10148	2.8
212.23691	9.2
230.24754	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	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
55.05508	12.4
56.05030	0.3
57.05805	1.0
72.08142	100.0
86.09697	5.4
132.10181	2.4
148.36653	0.3
150.75812	0.3
168.43610	0.3
179.71198	0.2
199.10670	0.2
231.16998	3.3
240.65808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05499	2.4
56.96539	0.2
57.03446	0.2
57.07060	0.8
59.04985	0.7
61.02911	0.7
67.05488	2.0
68.99786	0.2
69.03422	0.4
69.06717	0.2
69.07054	3.5
70.06576	0.6
71.01336	5.5
71.04964	1.1
72.08138	10.1
73.02901	0.2
74.02421	7.7
75.04465	1.3
75.21324	0.2
79.05470	1.5
81.03405	0.3
81.07035	6.8
83.04962	0.9
83.08586	0.9
84.08128	0.2
85.02880	1.4
86.09692	0.2
87.04456	0.2
91.05451	2.0
92.09255	0.2
93.07029	3.9
95.04944	0.4
95.08588	4.8
97.02872	0.2
97.06531	1.4
97.10146	0.4
98.05999	0.2
98.97546	1.3
99.00806	0.2
101.02331	0.2
103.03920	1.6
103.05429	0.3
105.07000	2.7
107.04935	5.2
107.08575	4.3
109.06512	1.0
109.10135	2.6
111.00736	0.3
111.08080	0.3
116.98597	0.7
117.01804	0.3
117.06998	0.4
118.06527	1.7
119.08562	2.2
121.06483	0.7
121.10098	2.6
123.08024	0.3
123.11690	1.1
125.09609	0.3
127.00259	0.2
128.04941	4.9
130.06534	0.3
131.03398	2.6
131.08546	0.8
132.04443	0.7
133.10091	1.5
134.99593	0.2
135.08031	0.8
135.11656	3.0
137.09622	0.3
137.13200	0.8
145.01324	0.3
145.04953	0.7
145.10075	1.7
146.05989	100.0
147.06380	0.2
147.11665	0.4
148.03920	0.7
149.06003	0.2
149.13245	0.4
151.11162	0.2
153.12712	0.3
157.04950	0.4
158.05942	0.3
159.02858	4.4
159.11694	1.6
161.13200	0.7
163.11147	1.2
164.07101	0.2
173.07185	0.3
174.12709	1.5
175.14813	0.4
177.00575	0.2
177.12737	0.4
191.05475	0.2
191.08134	0.3
191.17966	1.3
201.16341	1.4
216.74489	0.2
219.04906	0.7
219.07574	0.6
219.17392	2.9
220.13313	3.2
237.08687	3.0
237.15889	1.4
237.18462	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.8
53.03942	3.7
55.01857	6.3
55.05500	41.1
57.03429	14.9
60.59145	0.8
65.03906	1.2
67.05489	35.9
69.03418	11.9
69.07055	12.4
71.04965	6.1
73.63464	1.1
74.89684	1.0
79.05003	1.3
79.05469	33.2
81.03394	100.0
81.07032	43.7
83.04958	46.4
83.08596	33.1
85.02417	1.7
85.02884	26.4
85.06530	4.4
91.05454	35.8
93.07013	21.3
95.04940	39.0
95.08590	14.9
97.02852	2.2
97.06498	4.6
97.10148	7.7
99.08080	2.4
105.07007	29.1
105.07666	1.8
105.99486	0.9
106.80357	1.0
107.04919	9.9
107.08561	10.7
109.06503	6.3
109.10152	5.4
111.04461	1.8
111.08053	13.8
113.06005	2.0
113.48116	1.1
115.05437	1.4
117.06974	1.2
119.08563	24.2
121.06488	1.8
121.10086	10.8
123.08030	4.5
123.11736	1.3
125.09616	2.0
128.06230	1.1
129.06984	10.5
131.08536	14.0
133.06401	1.9
133.10114	11.4
137.09576	1.6
142.07764	5.6
147.08066	2.2
147.11674	17.7
149.09592	9.5
157.10100	16.6
175.11163	19.1
193.12195	61.9
211.13246	84.8
240.41768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81642	0.2
55.01864	0.4
57.03429	0.4
57.50723	0.2
58.06594	9.0
59.07381	2.1
60.08155	10.5
68.05018	1.8
70.06577	56.8
71.11425	0.2
72.08154	0.6
81.04500	0.2
82.91183	0.2
92.63883	0.3
95.06092	0.6
96.08101	2.5
98.06046	1.2
101.87973	0.3
114.05507	7.4
114.09154	3.4
116.07082	1.4
124.07573	5.7
126.09138	1.0
142.08617	51.7
170.08064	2.3
183.07622	1.6
183.11153	0.3
215.70387	0.2
229.15436	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	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
51.28127	0.4
54.81406	0.5
57.14909	0.3
58.06359	0.5
58.06594	8.9
59.07355	2.4
60.08152	9.5
65.37534	0.4
68.05008	1.6
70.06577	56.3
82.40427	0.4
96.08091	1.8
98.06050	0.9
100.30437	0.4
111.11639	0.4
114.05497	6.2
114.09148	3.3
116.07066	1.7
124.07570	4.8
126.09100	0.8
142.08615	52.8
164.59009	0.4
170.08075	2.1
193.88812	0.4
203.51154	0.4
229.15430	100.0
239.71498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03930	2.0
55.01866	6.0
55.05506	40.8
57.03431	16.1
65.03931	1.2
67.05138	2.2
67.05492	37.9
69.03423	11.1
69.07059	11.7
71.04984	7.1
73.06535	1.2
79.05476	35.0
79.05901	1.9
81.03403	100.0
81.07039	44.0
83.04971	43.9
83.05349	1.1
83.08604	32.7
85.02890	26.8
85.03370	1.6
85.06531	2.4
91.05463	38.3
93.07022	23.0
95.04949	32.3
95.08579	16.8
97.02891	2.2
97.06518	5.4
97.10158	8.7
105.07011	29.1
107.04941	7.2
107.08570	11.3
109.06514	7.6
109.10142	5.7
111.04446	1.7
111.08046	10.5
117.06998	1.5
119.08562	27.7
121.06485	1.4
121.10127	7.5
123.08081	1.9
123.11709	1.7
125.09634	4.8
129.06990	14.3
131.08553	13.8
133.06508	4.3
133.10127	13.3
137.09624	1.6
142.07756	3.8
147.08047	5.7
147.11667	17.6
149.09610	9.3
157.10100	15.7
165.12743	3.8
175.11125	18.8
175.12415	1.2
193.12212	61.5
193.13950	2.1
195.09473	1.1
211.13271	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.07095	0.8
53.03931	4.0
55.01859	5.8
55.05506	42.3
57.03431	18.9
57.07055	0.8
58.88831	1.0
59.04976	1.1
67.05494	30.0
69.03407	8.9
69.07054	11.7
71.04979	7.4
73.25252	0.7
79.05056	1.7
79.05477	33.8
81.03403	100.0
81.07040	41.8
83.04966	48.9
83.08605	33.0
84.76232	0.9
85.02890	31.0
85.06518	4.0
86.56238	1.0
87.36761	0.9
91.05464	43.1
92.08669	0.9
93.07021	18.7
95.04948	36.7
95.08588	15.9
97.02856	2.0
97.06493	3.9
97.10139	10.2
99.04435	1.1
99.08081	1.4
105.07015	28.0
107.04951	9.1
107.08593	9.8
109.06506	7.6
109.10147	6.1
111.04446	1.5
111.08054	13.7
113.06018	1.8
115.05392	1.7
119.08578	17.5
121.10125	10.8
123.08063	1.8
129.06989	13.4
131.08531	13.7
133.06488	3.8
133.10106	13.6
137.09613	1.3
142.07768	6.1
145.10132	1.3
147.08018	4.7
147.11673	16.2
149.09628	7.2
151.11156	1.2
157.10103	16.7
165.12761	1.7
175.11166	19.1
191.15463	0.9
193.12218	61.0
211.13266	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.61069	0.9
53.03931	1.2
55.01861	4.2
55.05512	8.5
59.04984	1.1
62.86695	0.9
67.05497	7.8
69.03432	1.8
69.07047	4.2
71.04991	9.4
71.47424	0.9
79.05479	15.9
81.03410	1.9
81.07044	20.1
83.04971	4.8
85.02906	5.1
91.05455	19.2
93.07031	28.8
95.04961	4.8
95.08602	12.6
95.48636	0.9
97.06514	14.3
99.04432	10.0
101.05991	1.8
103.11299	0.9
105.07019	43.5
107.04940	1.5
107.08585	44.4
109.06497	11.1
109.10122	6.8
111.08092	3.6
115.05492	1.0
115.11543	1.1
117.07000	5.4
119.07720	1.4
119.08568	39.7
121.10132	29.9
123.08051	24.1
123.11700	2.2
125.93785	0.9
129.06982	3.6
131.08540	10.3
133.10115	100.0
135.08041	81.3
135.11641	1.2
139.11139	1.0
142.07799	8.7
145.10124	6.7
146.07260	1.8
147.08025	9.9
147.11674	64.1
149.09602	8.0
151.11177	11.2
153.09143	1.1
155.07056	4.5
157.10098	12.4
160.08875	1.6
163.11192	1.4
165.12724	6.0
167.10651	1.3
175.11163	30.4
181.12209	10.4
193.12227	42.0
211.13255	17.8
215.55550	1.0
226.54550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03930	2.3
54.82027	1.8
55.01858	7.9
55.05267	2.8
55.05505	46.4
56.96561	2.2
57.03425	16.6
59.04994	1.9
65.03901	2.0
67.05498	49.1
69.03408	12.1
69.07051	20.2
71.04958	11.0
79.05470	40.5
80.78896	1.7
81.03400	100.0
81.07039	57.8
82.07367	2.3
83.04969	51.0
83.08600	38.3
85.02891	27.2
85.06534	6.9
90.22629	2.0
91.05462	37.0
92.87514	1.8
93.07034	21.4
95.04952	36.7
95.08585	26.5
96.08929	6.4
97.02868	2.7
97.06500	3.4
97.10137	11.8
103.68429	1.6
103.90113	2.3
105.06474	2.0
105.07026	32.6
107.04945	7.0
107.08606	15.4
109.06498	2.6
109.10127	11.3
111.08044	13.7
119.08538	22.5
121.10103	11.2
128.42577	1.8
129.06975	19.9
131.08545	17.5
133.10101	17.0
142.07703	2.7
145.86537	1.7
147.11658	13.3
149.09563	8.9
157.10129	14.9
160.91359	1.7
165.12686	2.6
175.11180	18.3
193.12209	73.9
211.13261	84.9
230.84720	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
51.87887	2.0
54.81469	2.5
55.01856	11.8
55.05508	35.9
56.13709	2.5
56.96553	2.5
57.03432	5.1
67.05496	74.3
69.03412	11.7
69.07042	20.3
70.30777	2.4
71.04963	6.1
79.05473	69.8
81.03384	3.8
81.07043	90.5
83.04964	36.4
83.08614	6.0
85.06524	5.9
87.04450	12.8
91.05461	100.0
93.07027	40.2
95.04944	75.7
95.08594	37.4
97.06512	12.8
105.07013	53.3
107.04935	20.0
107.08575	31.6
109.06499	25.1
109.10133	15.6
111.04423	6.0
115.05425	3.8
117.07008	4.0
119.08553	28.9
121.10111	5.3
123.11662	5.2
129.06981	18.8
131.08545	18.9
133.06494	5.4
133.10103	30.1
135.08028	26.6
135.11685	2.8
142.07787	3.8
146.91789	3.0
147.11661	24.5
149.09616	11.4
151.11148	25.5
157.10121	13.5
164.92821	3.8
165.12715	13.8
175.11243	19.8
193.12238	28.2
211.13258	12.3
217.08105	2.9
228.23230	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	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.72993	0.9
53.03938	2.0
55.01870	8.5
55.05505	46.2
56.96568	1.4
57.03424	15.7
59.04964	1.5
59.94103	1.0
62.59591	1.1
67.05493	36.8
67.52679	1.2
69.03419	9.3
69.07075	11.7
69.69810	1.1
70.06544	1.1
71.04976	7.0
72.12003	1.0
79.05476	38.3
81.03401	100.0
81.07044	49.9
83.04967	49.7
83.08606	34.5
85.02892	28.0
85.06544	2.4
91.05465	34.2
92.38300	1.3
93.07029	24.2
95.04948	33.5
95.08582	14.7
97.02844	2.0
97.06485	5.0
97.10143	8.8
99.08134	1.2
105.07015	24.0
107.04932	8.2
107.08573	9.5
109.06502	6.7
109.10131	6.4
111.04502	1.7
111.08069	11.3
113.05990	1.9
117.07006	1.8
119.08558	23.3
121.10112	11.0
123.08039	4.8
123.11668	4.4
129.06990	11.4
131.08548	15.3
133.06523	2.4
133.10112	15.6
134.96228	1.5
142.07733	3.0
146.91852	1.6
147.08049	2.3
147.11684	17.0
149.09627	6.7
157.10143	16.7
165.12733	1.9
175.11151	17.7
193.12213	62.1
211.13263	88.0
212.84026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.12796	0.8
55.01868	15.1
55.05504	13.3
56.85614	0.8
56.96554	1.6
57.03424	3.9
57.07059	1.0
59.05019	1.0
63.71294	0.8
64.72124	0.9
65.28880	0.9
66.33734	0.8
67.05492	35.1
67.84095	0.9
68.79519	0.8
69.07055	18.6
71.04980	4.7
79.05059	1.0
79.05479	18.4
81.07037	100.0
83.04961	7.3
83.08602	9.6
85.06535	8.5
91.05455	24.1
93.07020	19.1
95.04953	4.8
95.08582	20.7
97.06510	8.7
99.08099	3.9
101.06003	1.1
105.07010	42.9
107.08575	11.5
109.06490	6.7
109.10152	1.6
117.07028	1.0
119.08553	34.5
121.10114	26.3
123.08053	5.4
123.11683	32.5
127.07506	2.0
129.06990	2.1
131.08534	1.8
133.10091	1.7
137.13239	1.6
141.78503	1.1
145.10121	1.4
147.11662	70.6
157.10106	6.1
165.12718	34.0
175.11134	4.8
183.13789	3.9
193.12210	2.3
228.23099	1.7
229.14377	9.2
229.23456	1.1
243.31934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09914	1.8
51.93680	2.1
53.00294	2.6
53.03937	4.5
55.01854	10.6
55.05507	51.1
56.96547	3.4
57.03416	5.1
63.79023	2.0
65.03905	2.9
65.39751	2.0
67.05489	83.5
69.03415	15.0
69.07056	23.0
71.04964	12.7
79.05474	73.6
81.03388	5.7
81.07040	100.0
83.04958	40.7
83.08599	11.2
85.06528	9.9
87.04440	17.8
91.05461	93.5
91.06007	5.3
93.07036	41.6
94.19269	2.8
95.04949	94.2
95.08579	39.8
97.06496	11.3
101.02415	2.5
105.07009	58.9
105.94312	2.4
107.04945	19.4
107.08562	37.5
109.06487	20.6
109.10151	16.6
111.04424	9.5
111.08105	2.9
117.07013	12.2
119.08569	26.2
121.10133	14.0
123.08023	5.1
123.11662	2.8
125.09599	4.8
129.07014	26.3
131.08577	22.2
132.46346	2.4
133.06514	11.2
133.10121	44.1
135.08043	29.8
142.07782	6.0
146.91859	5.0
147.11655	27.3
149.09592	17.3
151.11134	24.6
157.10112	13.4
164.55327	2.2
165.12770	12.8
175.11127	22.9
193.12180	29.1
211.13219	13.9
241.93375	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11719	3.1
53.03933	4.0
54.42968	3.0
54.81342	3.8
55.01863	7.6
55.05513	38.3
56.96553	8.2
57.03424	17.6
67.05496	100.0
69.03415	8.6
69.07047	19.4
71.04984	7.0
79.05477	70.3
81.03411	5.4
81.07040	89.3
83.04972	29.4
83.08607	8.6
83.75082	3.3
85.02913	3.9
85.06531	5.6
87.04449	17.1
91.05466	72.1
93.07034	32.0
93.40722	4.2
95.04943	54.8
95.08579	32.3
95.44924	4.0
105.07020	56.3
107.04948	17.1
107.08599	36.8
109.06488	18.3
109.10151	21.6
111.04391	14.3
117.07009	4.3
119.08555	28.5
121.10153	15.7
123.08125	4.2
123.11646	8.6
128.63272	3.8
129.07001	24.1
131.08525	16.3
133.10114	32.9
135.08022	23.7
135.11810	4.8
141.05664	3.2
146.91878	6.0
147.11655	21.8
148.97159	3.6
149.09601	14.8
151.11188	15.1
157.10063	6.7
165.12683	7.5
175.11183	17.9
189.99449	3.9
190.29825	3.7
193.12245	23.3
211.13252	6.7
228.23236	5.5
228.31850	4.0
229.14211	5.4
248.29893	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	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38018	0.6
56.96557	10.3
57.03424	11.2
57.35340	0.6
65.03925	1.1
70.06583	9.0
70.30328	0.7
71.83001	0.6
72.08128	1.2
74.79802	0.6
75.04465	1.3
76.55989	0.6
77.88097	0.7
79.05478	1.4
79.75433	0.8
81.07063	1.0
84.96015	3.3
85.85418	0.7
86.09687	11.6
91.05479	1.3
91.30710	0.7
93.03387	1.6
94.04159	4.7
95.04932	1.0
97.06493	0.8
98.97549	5.0
104.33586	0.9
105.45294	0.7
107.04924	1.2
110.03649	5.2
111.04433	8.4
116.00219	1.7
116.07067	15.0
116.98595	4.8
121.02814	0.7
121.06467	0.8
122.03619	26.6
123.04397	1.6
125.05973	13.6
127.97031	0.8
133.02768	0.7
134.01189	1.0
134.99666	4.5
135.07980	1.3
137.05952	100.0
140.04655	27.1
149.01276	1.0
161.04834	2.9
163.07529	2.7
163.97676	1.5
199.09560	0.7
205.03835	1.4
205.98660	0.8
211.09593	2.8
215.41936	0.7
228.23425	0.8
229.15465	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	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	6.0
56.96782	0.7
57.03432	9.5
65.03925	1.1
69.05668	0.5
70.06593	4.2
72.08133	1.0
75.04460	1.4
79.05476	1.4
81.07021	0.8
84.04475	0.6
84.96004	1.0
86.09711	5.0
91.05439	0.9
93.03388	3.2
94.04163	4.4
95.04942	1.4
97.99166	0.9
98.97546	4.4
103.05465	0.8
105.07045	1.2
107.04941	2.7
110.03632	5.6
111.04447	9.7
112.15883	0.5
116.00193	0.6
116.07069	5.2
116.98608	2.7
120.05681	0.6
121.02821	1.2
121.06504	0.8
122.03628	22.0
123.04384	2.5
125.05975	14.1
134.01225	0.7
134.99619	2.6
135.08080	1.0
137.05962	100.0
139.03844	0.9
140.03612	1.1
140.04665	24.2
150.96902	0.7
161.04817	1.1
163.07523	2.8
163.97638	0.5
211.09663	3.1
228.23164	0.7
229.15608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.05490	38.2
56.96559	11.5
57.03417	6.4
57.07066	6.5
58.46153	5.4
66.86208	5.9
67.05492	100.0
69.07044	24.0
71.04983	6.4
79.05479	66.1
81.07035	95.2
83.04955	39.4
83.08608	9.7
84.94251	6.1
87.04466	9.5
88.06083	6.3
89.45267	5.2
90.54333	5.6
91.05469	86.8
92.23824	5.7
93.07017	48.8
95.04948	67.7
95.08575	33.4
97.06488	11.7
97.10152	7.9
105.07035	83.4
107.04916	29.4
107.08544	24.1
108.18839	5.9
109.06508	25.6
109.10138	12.4
109.85917	6.3
116.00209	11.6
117.07005	10.9
119.08555	26.6
121.10156	9.5
123.11610	8.0
129.06975	11.6
131.08539	9.6
133.06537	6.4
133.10097	26.3
135.08025	34.9
146.91794	15.0
147.11662	32.6
149.09573	13.2
151.11115	23.6
157.10167	9.8
175.11176	13.0
193.12170	12.7
228.23253	6.8
229.23541	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	228.1746
Annotation	erythrinan
Peak:m/z	Relative Intensity
55.01858	0.3
55.05490	1.2
57.03421	0.3
57.07053	0.3
61.10115	0.3
67.05485	2.3
67.99028	0.3
76.09926	0.3
78.70836	0.3
79.05473	0.7
81.07025	1.1
83.04987	0.3
84.02109	1.0
91.05457	0.6
93.07014	0.4
95.04930	0.4
95.08578	0.4
97.02862	0.4
105.07005	0.5
107.08580	0.4
156.08051	1.9
158.09645	0.5
170.09604	1.4
171.10408	2.5
184.11165	2.0
185.12000	2.0
198.12729	3.4
200.14317	0.4
212.14307	46.0
213.15086	6.7
226.15755	0.5
228.17430	100.0
228.23079	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.26696	1.9
55.01855	2.2
55.05500	21.9
57.07058	4.8
59.04983	2.8
61.02916	2.9
61.37893	2.1
64.46419	2.1
67.05494	29.0
69.03429	4.1
69.07058	19.9
71.04986	49.1
79.05486	19.4
81.03407	2.3
81.07045	46.3
83.04963	12.6
83.08611	9.1
83.74207	2.0
85.06533	11.3
87.04490	3.4
88.11899	2.3
91.05457	30.1
91.58093	2.5
93.07027	63.8
95.04945	29.3
95.08585	34.7
97.06529	10.6
99.08086	4.8
100.11261	23.2
103.78717	2.3
105.07026	63.1
107.08575	48.9
109.06500	27.8
109.10158	58.1
111.04430	2.3
111.08034	3.1
113.05946	2.5
113.09612	3.9
115.05515	2.6
117.06974	17.7
119.08561	50.4
121.06485	3.8
121.10117	52.8
123.08034	20.1
123.11689	15.4
123.79936	2.4
125.09624	3.8
127.07506	3.5
131.08543	35.3
133.10110	100.0
135.08040	16.9
135.11691	2.4
141.11508	3.2
143.08553	4.6
145.10118	21.6
147.11673	20.7
149.09608	3.7
149.13246	13.7
150.09047	3.6
151.11160	14.6
153.09225	2.5
158.10905	13.0
161.13229	29.9
165.12750	3.6
173.13223	54.6
173.14552	3.4
178.08553	4.0
179.14285	10.4
182.15427	4.9
191.14264	40.4
209.15349	26.9
225.16272	2.2
227.16473	14.8
243.57813	2.1
246.09917	2.0
249.98402	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01843	0.7
55.05497	3.2
55.05730	0.4
56.49916	0.4
57.03428	4.5
57.07065	0.6
59.04979	1.2
64.33146	0.7
65.03910	0.6
67.05502	3.5
69.07052	4.7
71.04977	9.7
73.06547	0.5
75.04448	2.4
75.44837	0.4
79.05470	3.5
81.07030	8.9
81.42709	0.4
83.04955	2.0
83.08587	1.1
85.02884	1.0
85.06532	3.3
91.05465	2.6
93.07025	9.0
95.04948	100.0
95.08584	4.9
97.06510	13.4
97.10140	0.5
99.04429	7.9
99.08088	5.0
105.07011	10.4
107.08579	9.0
109.06504	14.8
109.10161	3.9
111.08061	3.3
113.06001	0.6
115.07564	0.6
117.07005	0.8
117.79163	0.6
119.01943	0.8
119.08558	4.5
121.06477	1.2
121.10123	8.1
123.08073	2.0
123.11680	1.9
125.09606	2.3
127.07521	0.7
131.08527	2.8
133.10112	10.1
135.08051	3.2
135.11717	1.2
137.09688	0.5
139.11179	1.1
143.01898	1.1
145.10127	3.6
147.11656	4.6
149.13264	1.9
151.11151	1.8
153.09071	16.0
158.10934	0.8
161.02946	2.1
165.12898	0.6
171.10121	4.7
173.09596	0.7
173.13220	4.5
191.10571	0.9
191.14288	2.9
209.15337	8.3
227.16380	8.3
230.85223	0.5
239.57816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.00300	1.2
53.03933	1.3
54.45786	0.6
54.81086	0.7
55.01859	0.8
55.05499	4.8
56.02644	1.1
67.05495	20.8
69.07043	4.0
71.04978	100.0
74.57532	0.6
76.97982	0.7
79.05477	10.2
81.07042	30.3
83.04960	1.3
83.08593	2.9
85.06528	0.9
91.05457	5.0
93.07026	12.2
95.04956	1.0
95.08591	13.9
97.06506	3.8
97.82159	0.8
100.11253	1.0
105.07022	1.8
107.08572	4.9
109.10150	1.1
111.08070	1.6
113.15009	0.6
117.07032	3.9
121.01692	0.8
121.10125	1.0
131.08527	3.9
133.10168	2.5
135.11649	6.1
149.09674	0.8
149.13219	3.7
159.11664	4.4
177.12714	1.0
178.23396	0.8
209.15434	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.8
53.03932	1.5
55.05509	7.4
56.02643	1.5
56.96553	1.0
57.07077	1.6
67.05492	18.0
69.07053	4.2
71.04975	100.0
72.93739	1.2
75.11326	0.7
79.05473	8.4
81.07040	25.6
83.04934	0.9
83.08597	1.9
85.06519	0.9
91.05468	6.0
91.23188	0.7
93.07018	15.5
95.08585	13.9
97.06498	3.7
100.11217	1.9
105.07009	3.0
107.08575	6.7
108.49422	0.7
109.06519	1.1
111.08082	0.7
117.07003	1.7
119.08541	1.1
121.01586	1.6
121.10239	0.7
131.08531	3.8
133.10106	1.8
135.11659	6.3
139.02644	0.9
149.13245	4.0
159.11674	3.8
171.57141	0.9
177.12692	1.8
195.13737	1.1
209.15297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03912	0.4
55.01865	0.5
55.05498	4.5
55.09640	0.4
57.03432	4.6
57.07059	2.3
59.04987	2.2
61.02894	0.4
62.92184	0.4
65.03902	0.4
67.05494	4.4
69.03409	1.8
69.07047	4.1
71.04979	7.7
75.04453	2.0
79.05470	4.4
79.87764	0.4
80.22417	0.5
81.06600	0.5
81.07048	9.2
83.04971	1.9
83.08586	2.0
85.06525	3.4
85.46152	0.4
89.21744	0.5
91.05452	4.9
92.08622	0.9
93.07021	10.3
95.04950	100.0
95.08585	6.3
97.06514	15.4
97.10155	0.4
99.04430	6.3
99.08080	4.8
100.11179	0.5
104.46873	0.4
105.07018	11.1
107.08575	11.8
109.05807	0.9
109.06508	15.7
109.10129	4.3
109.10754	0.4
111.08056	2.4
111.90479	0.4
113.05995	0.7
115.07617	0.8
117.07016	0.5
119.08552	5.8
121.10114	11.4
123.08042	2.7
123.11703	3.0
125.09617	2.9
127.07539	1.0
131.08521	4.3
133.07645	0.7
133.10109	12.4
135.08055	2.3
135.11639	3.3
139.11148	2.2
142.00682	0.4
145.10150	2.0
147.11668	6.1
149.09613	3.9
149.13281	0.9
151.11183	2.2
153.09088	16.9
158.10864	0.7
163.14766	0.8
165.12749	1.1
167.10670	1.8
171.10164	5.5
173.13239	3.6
191.14267	4.0
194.60132	0.5
201.25476	0.5
208.14581	0.5
209.15350	9.6
227.16394	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	227.164
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03951	0.7
55.05507	4.8
57.03419	5.4
57.07067	1.4
59.04985	1.3
65.03931	0.6
67.05492	3.5
69.03413	1.5
69.07064	5.5
71.04974	11.2
73.06548	0.8
75.04465	2.6
79.05476	5.1
81.07034	8.5
83.04973	1.3
83.08593	1.2
85.06525	3.7
91.05470	3.8
93.07034	10.4
95.04947	100.0
95.08585	5.4
97.02895	0.7
97.06516	14.4
97.10137	1.5
99.04434	8.2
99.08083	12.0
103.86311	0.7
105.07011	10.8
107.08570	10.0
109.06513	15.6
109.10155	4.6
111.08057	3.0
115.07555	1.2
119.08549	7.5
121.10113	12.5
123.08042	1.1
123.11703	3.5
125.09583	3.4
127.07538	3.6
131.08534	3.9
133.10094	20.0
135.08057	1.4
135.11696	2.9
139.11140	2.4
143.10651	1.0
145.10126	2.4
147.11676	7.5
149.09622	2.7
149.13214	2.5
151.11139	1.0
153.09100	15.9
158.10892	1.2
165.12720	1.2
167.10686	0.8
171.10132	5.4
173.13228	4.9
191.14273	5.5
209.15350	10.1
227.16400	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18923	0.7
53.00307	1.5
55.01848	1.0
55.05518	5.1
56.02642	0.8
57.07065	0.7
65.03925	0.9
67.05497	21.7
69.07072	3.7
71.04980	100.0
79.05484	8.5
81.07043	25.0
83.08622	1.4
85.06561	1.1
91.05453	5.4
91.15172	0.7
93.07044	12.1
95.04959	1.4
95.08591	13.6
97.06513	2.7
100.11249	0.8
105.07030	2.9
107.08596	5.6
108.41496	0.7
109.06517	1.0
109.10081	0.9
117.07017	3.3
121.01659	0.8
121.10088	0.9
131.08545	3.1
133.10080	4.5
135.11671	8.4
139.02760	1.1
149.13194	5.2
159.11664	5.7
173.01613	0.8
177.12656	1.7
195.13818	1.0
209.15294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81454	2.3
55.05502	4.9
56.85365	2.2
56.96563	2.5
57.07075	3.7
57.22381	1.6
57.84835	1.6
59.07678	2.1
64.33081	2.0
67.05493	17.5
69.07069	4.9
71.04980	100.0
79.05505	7.6
81.07040	26.7
87.99033	2.2
91.05483	3.3
92.08694	4.0
93.06993	14.6
95.04974	2.9
95.08593	12.7
97.06516	4.4
105.07001	3.0
107.08556	2.4
117.06971	3.5
121.01676	3.8
135.11671	7.6
179.99278	2.0
181.32419	2.2
193.67332	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03937	4.3
53.31736	1.6
54.44709	1.4
55.01865	7.4
55.05507	39.7
55.30733	1.6
56.90484	1.4
56.96547	2.9
57.03425	8.6
57.07070	26.8
64.94794	1.7
67.05498	32.5
67.78781	1.6
69.03406	2.5
69.07053	17.8
71.04976	13.5
72.93770	2.3
74.09711	2.9
79.05476	26.7
81.03401	6.6
81.07043	48.6
83.01344	3.0
83.04969	21.6
83.08588	14.3
85.02885	8.1
85.06532	4.3
91.05446	22.8
91.05834	1.4
93.07025	33.0
95.04959	20.1
95.08591	17.8
97.02875	23.4
97.06520	13.4
97.10119	2.2
98.97578	4.1
99.04455	16.5
100.07590	2.7
100.11233	8.9
105.07017	15.0
107.04956	9.3
107.08579	24.4
109.02876	2.2
109.06519	4.4
109.10134	11.9
111.04417	41.9
111.08107	2.3
116.98595	3.8
117.07009	12.0
119.08545	11.2
121.01639	3.4
121.06466	7.9
121.10101	16.6
123.04464	2.1
123.08044	3.7
123.11677	7.1
126.09105	2.9
131.08571	9.9
131.97437	2.9
133.10124	14.2
134.99641	2.3
135.08008	3.2
135.11671	3.8
139.11182	2.3
143.08536	2.1
144.74982	2.3
145.06442	2.3
145.10088	11.1
147.08022	2.4
149.09624	4.2
151.11148	2.5
156.13821	56.0
162.04349	1.9
163.11145	9.0
167.07011	13.1
177.00674	2.4
181.02827	3.7
181.12314	1.9
184.13298	28.2
191.10628	10.0
209.11697	100.0
227.12698	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	227.1278
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03938	4.5
55.01860	11.6
55.05508	44.3
56.96566	4.7
57.03420	5.9
57.07066	4.9
58.40442	1.9
59.12905	2.0
67.05499	47.1
69.03416	3.7
69.07062	27.8
71.04966	10.0
72.93780	2.4
73.02905	3.8
79.05476	59.3
81.03408	10.4
81.07036	60.4
83.04963	10.8
83.08611	33.4
85.06514	3.2
91.05455	22.6
93.07030	82.0
93.08602	2.3
95.04957	28.9
95.08589	75.3
97.02858	12.0
97.06517	5.3
99.04433	13.4
100.11231	3.9
105.07027	16.2
107.04942	16.8
107.08591	67.1
109.06507	12.9
109.10140	9.6
111.04460	3.2
111.08050	12.5
113.06009	3.1
117.07002	26.5
119.08551	16.6
121.06523	19.3
121.10152	22.5
125.05913	3.8
125.09565	3.9
131.08583	2.8
133.10059	3.5
135.08022	3.4
135.11679	71.0
145.06465	2.4
145.10112	61.3
149.09628	3.9
153.09073	5.5
155.08540	4.1
163.11159	81.3
169.08569	4.5
173.09587	3.6
176.98814	2.6
181.02863	3.0
181.12201	13.8
195.10208	3.7
209.11885	3.2
215.85492	3.5
227.12766	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	227.1278
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.67780	1.5
51.34106	1.8
53.03933	9.0
55.01864	11.2
55.05509	65.7
56.98305	1.9
57.03428	23.8
57.07056	5.1
67.05495	81.9
69.03416	10.5
69.07059	34.4
71.04965	14.0
73.02898	2.1
75.04469	3.9
79.05475	54.1
81.03419	15.0
81.07038	78.5
83.04974	24.6
83.08611	27.2
85.02888	10.0
85.06519	8.8
87.04453	2.6
91.05465	38.7
93.06479	4.0
93.07027	63.9
95.04952	45.4
95.08591	42.5
97.02868	31.8
97.06503	16.4
97.10147	4.0
98.97552	3.7
99.04446	13.6
99.08050	2.7
100.07626	4.0
100.11244	10.1
105.06984	24.7
107.04975	17.2
107.08576	43.3
107.91215	2.2
109.06509	15.1
109.10112	17.0
111.04432	59.4
111.08078	4.8
115.61951	2.3
117.06995	21.7
119.08571	17.6
121.01633	4.0
121.06480	9.2
121.10126	40.5
123.08068	10.5
123.11707	10.9
125.05973	3.3
125.09589	4.6
129.07010	4.5
130.07687	3.2
131.08542	16.3
133.10120	17.0
135.08037	5.2
135.11649	19.4
137.09554	4.7
139.11145	4.3
145.10107	17.2
147.08064	3.9
147.11638	10.0
149.09607	10.5
153.09081	4.7
153.12752	3.7
154.87502	2.2
163.11180	17.7
173.09576	8.8
173.13234	4.0
181.12241	4.0
182.15372	10.0
186.26985	2.0
191.10634	18.7
191.14293	2.7
209.11707	100.0
209.15277	4.2
210.14885	9.6
227.12791	43.6
227.16330	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	227.1278
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03928	4.2
55.01868	13.4
55.05506	27.1
57.03419	4.8
57.07062	1.6
63.94785	0.7
65.03927	1.0
67.05147	1.3
67.05495	30.7
69.03419	1.8
69.07056	16.1
71.04955	4.3
73.02903	1.8
79.05479	53.2
81.03410	6.4
81.07044	40.5
81.07525	1.5
83.04967	8.0
83.08607	16.1
85.06519	0.9
86.08990	0.9
91.05457	17.2
93.02739	0.8
93.07027	69.3
95.04951	14.1
95.08590	76.5
97.02864	9.3
97.06512	8.6
97.10139	1.1
98.32192	1.0
99.04457	9.6
103.05438	1.4
105.07012	12.3
107.04279	1.4
107.04943	20.9
107.07865	1.7
107.08584	51.5
109.06510	3.4
109.10157	4.0
111.04430	2.1
117.07003	18.9
119.08562	16.6
121.06485	12.4
121.10114	18.4
125.05985	6.7
130.07762	4.4
133.10071	5.4
135.08034	3.6
135.11671	73.1
135.92287	0.8
139.07524	4.2
143.08600	1.7
145.08972	1.6
145.10112	45.1
153.12737	2.1
163.11157	80.4
181.12224	13.7
209.11694	1.5
227.12750	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	227.1278
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03939	18.5
54.81374	2.0
55.01865	27.7
55.05268	2.5
55.05509	51.5
55.60178	1.6
56.96545	3.8
57.03434	15.4
57.07052	8.6
59.04985	2.1
65.03916	2.4
67.05144	3.5
67.05493	100.0
68.99833	2.0
69.03412	12.0
69.07057	31.8
71.01331	3.3
71.04974	21.3
71.08606	3.1
72.93747	2.9
79.05472	81.1
81.03404	31.8
81.07039	78.1
83.04969	61.6
83.08599	28.9
84.43605	1.7
85.02876	9.0
85.06528	4.7
91.05467	49.3
92.09295	2.6
93.03387	2.0
93.07024	69.5
95.04948	30.8
95.08575	30.4
95.66383	1.9
97.02856	29.2
97.06516	22.1
98.97547	10.0
99.04430	25.3
99.08078	2.5
100.11223	3.1
103.05431	2.6
105.07011	29.6
107.04943	28.3
107.08593	45.8
109.02904	3.3
109.06477	8.8
109.10141	29.7
111.04417	66.4
111.08067	18.2
113.06040	4.0
116.98600	3.7
117.06998	24.9
119.08550	26.2
121.01639	2.0
121.06457	4.7
121.10101	48.9
123.04418	4.0
123.08010	7.9
123.11688	9.9
125.05958	4.4
125.09598	4.2
129.06973	4.2
130.07758	2.4
131.08540	20.8
133.10088	13.5
134.99611	2.9
135.08055	8.4
135.11671	32.4
137.09618	4.9
139.02769	2.6
139.11142	3.0
144.03198	3.8
145.06464	3.0
145.10118	33.4
146.24142	1.9
147.07954	4.5
147.11627	3.0
149.09610	11.9
151.11169	2.2
153.09094	2.6
153.12720	13.2
155.08571	4.2
162.92816	2.0
163.11147	35.7
165.08888	2.2
167.10564	2.6
173.09610	20.7
173.11703	4.5
173.13101	2.4
181.02852	3.6
181.12175	16.2
190.65428	2.0
191.10681	28.8
209.11700	70.1
209.14980	2.3
227.10716	3.6
227.12781	48.9
227.15157	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.26059	0.4
52.09199	0.5
54.81514	0.4
55.01867	0.4
55.05501	2.8
55.07360	0.4
55.98040	0.4
57.07064	4.8
58.42160	0.4
58.72105	0.4
61.40950	0.5
62.78703	0.4
65.03936	0.6
67.05495	6.8
68.39703	0.4
69.03412	2.0
69.07056	0.9
71.04981	0.7
71.08613	1.2
74.61315	0.4
79.05474	5.3
81.07043	27.2
83.04964	2.3
83.08595	0.5
83.83657	0.4
85.02893	100.0
91.05476	8.2
93.07021	5.2
95.04981	2.0
95.08580	7.3
101.67255	0.5
102.97471	0.5
105.07014	7.8
107.08592	6.4
109.06522	3.0
109.10141	11.1
117.06991	1.0
118.04143	0.5
119.01929	0.6
119.04920	3.5
119.08574	7.5
121.10124	7.4
123.08057	2.2
123.11687	62.3
125.05983	5.7
125.09556	0.6
131.08557	2.7
133.10133	1.2
141.05461	0.8
141.06918	0.5
143.01843	0.5
145.10136	2.0
147.04430	1.2
147.08080	2.5
147.11693	5.7
149.02350	0.6
149.09613	5.7
151.07529	2.6
156.09323	0.7
161.02899	0.7
161.09586	1.0
161.13261	1.0
163.11133	0.9
165.12769	0.9
175.03922	2.9
189.12785	3.2
192.04207	2.0
207.06514	3.0
207.13777	10.4
225.14894	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.79758	1.0
55.01857	1.4
55.05499	10.8
55.51192	1.1
57.07073	18.9
59.04998	8.9
61.92938	1.2
67.05477	8.6
69.03414	2.3
69.07065	2.4
71.04606	2.1
71.04982	47.9
71.08616	8.7
72.08144	1.5
79.00999	1.2
79.05477	11.7
81.03416	1.9
81.07040	10.6
83.04965	5.3
83.08601	5.4
84.08124	1.9
85.02892	1.4
85.10179	1.7
91.05459	23.1
93.07028	12.3
93.62051	1.1
95.04952	7.4
95.08585	13.8
97.06525	2.9
99.04440	100.0
101.95020	1.6
105.07024	23.0
107.08581	53.7
109.06496	31.9
109.10141	6.1
112.11237	2.3
113.09646	2.1
119.01916	14.0
119.04945	5.0
119.08569	18.5
121.06482	5.7
121.10131	16.4
123.08051	43.0
123.11713	12.4
125.05970	1.3
125.09640	6.5
129.06938	2.1
131.08568	13.1
133.06470	2.6
133.10146	1.7
135.08029	10.0
135.11705	4.6
135.52452	1.3
137.02942	6.4
137.09572	14.0
137.13197	1.7
142.03461	2.8
143.08545	1.6
145.10100	2.1
147.04391	8.0
147.08028	10.4
147.11697	10.5
149.09636	12.7
151.07526	5.3
153.09082	2.7
156.09334	4.7
160.04533	1.6
161.02968	1.4
161.13193	2.8
163.11287	1.4
165.12720	7.3
167.10648	15.8
168.75809	1.2
171.11644	5.1
179.03999	2.6
181.03313	1.2
183.13753	19.8
189.09122	1.4
189.12697	7.8
207.13751	5.6
214.63649	1.3
225.14838	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	225.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01873	3.0
55.05503	15.7
56.96561	4.0
57.03413	3.2
57.07071	66.8
59.04985	4.9
60.55983	2.1
67.05484	16.0
69.03421	8.9
69.07053	25.0
70.88053	2.0
71.04979	61.7
71.08616	34.8
72.08131	4.5
79.05467	24.9
81.03409	5.1
81.07036	44.0
83.04974	4.3
83.08594	20.2
84.08133	3.9
85.02898	4.2
85.06518	7.1
85.10163	13.9
91.05471	25.5
93.07018	25.9
95.04958	15.3
95.08585	35.1
97.06518	80.4
97.10167	2.4
98.97572	4.0
99.04434	100.0
101.05974	4.0
101.95020	9.0
105.07014	34.1
107.04933	3.6
107.08583	68.7
109.06510	39.0
109.10155	16.4
111.08064	3.3
111.11709	4.4
112.11244	4.5
113.09644	3.9
119.01894	30.3
119.04913	10.7
119.08568	21.7
119.96048	2.2
121.06498	4.7
121.10133	37.9
123.08052	43.4
123.11688	35.0
125.09605	10.1
131.08565	10.6
133.06450	2.6
133.10126	12.6
135.11667	10.0
137.02936	22.1
137.06024	2.6
137.09634	4.5
137.13239	9.5
137.97139	3.0
139.11156	8.0
141.12723	2.9
142.03539	9.8
147.04369	19.4
147.11633	15.4
149.09601	22.8
149.13277	10.2
151.07536	2.8
157.00110	2.9
160.04453	3.9
161.13277	8.6
163.11253	2.8
165.09178	3.0
165.12717	29.2
167.10664	21.4
167.14333	4.1
179.04042	4.4
179.14330	3.6
183.13773	37.8
189.12706	16.4
189.16284	4.7
207.13850	19.6
207.17378	2.7
225.14766	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
50.98309	0.2
51.29167	0.2
53.03939	0.5
55.01855	1.7
55.05507	2.4
57.03410	1.1
57.07066	4.7
59.04996	0.3
62.15752	0.2
65.03927	0.3
67.05184	0.3
67.05495	3.7
69.03411	4.6
69.07050	1.6
70.52849	0.2
71.04961	1.2
71.08612	1.9
77.03893	0.3
79.05476	9.9
79.89030	0.2
81.03391	3.1
81.07037	4.9
83.00029	0.3
83.04969	8.1
85.02911	1.8
85.06536	0.4
85.10162	1.0
87.09364	0.2
91.05463	9.2
93.07024	22.3
93.55457	0.2
95.04948	3.4
95.08584	5.5
97.06496	0.4
103.05426	0.5
104.96353	0.3
105.07022	12.6
106.07793	0.5
106.96410	0.2
107.04942	8.0
107.08580	7.1
109.02890	0.5
109.06506	5.5
109.10142	3.1
111.04434	3.7
115.05420	0.3
116.06220	0.5
117.06982	1.2
119.01913	1.6
119.06110	0.3
119.08560	8.5
121.06482	2.6
121.10120	20.1
122.07243	0.4
123.08054	7.1
123.11666	1.5
128.06227	0.3
129.06998	1.3
130.07753	0.4
131.08543	10.9
133.06483	1.0
133.07602	1.4
133.10098	1.8
135.08041	1.6
135.11703	1.1
137.02953	0.4
137.09590	7.3
142.03493	0.4
145.10152	3.2
147.08043	1.9
147.11662	2.0
149.09601	100.0
151.03905	0.4
151.07535	0.5
156.09352	0.4
159.08054	0.3
161.09561	0.3
161.13199	1.5
163.11142	5.9
165.09087	10.0
165.12723	1.5
167.10640	27.6
171.11609	0.5
179.04007	0.3
189.12704	2.0
207.06615	0.3
207.13771	1.2
225.14876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.00343	1.3
53.03939	2.7
55.01857	6.3
55.05503	19.5
57.03426	2.9
57.07065	23.1
59.04717	1.9
59.04989	34.9
62.02874	1.3
65.03936	2.1
67.05490	48.4
69.03410	9.7
69.07065	13.4
71.04959	3.5
71.08620	7.0
79.05465	28.4
81.03381	1.8
81.07031	26.5
83.04964	8.6
85.02887	2.2
85.06523	3.1
85.10189	2.9
87.49468	1.4
91.05457	34.2
93.06434	1.6
93.07024	44.2
95.04946	15.4
95.08581	84.1
95.28139	1.4
97.06520	7.2
103.05445	2.9
105.04563	1.8
105.07008	91.4
105.85035	1.4
107.04939	9.1
107.08574	77.0
109.06503	31.8
109.10138	18.8
111.04440	2.9
111.08036	2.4
113.05940	1.8
117.07003	3.6
119.01920	11.6
119.06046	2.0
119.08553	53.3
121.06475	14.0
121.10160	13.3
122.07241	1.5
123.08042	100.0
125.09578	2.2
131.08560	2.6
133.06458	10.5
133.07422	2.0
133.10092	21.2
135.08026	38.6
135.11646	16.1
137.02925	2.6
137.09596	40.5
141.06970	2.1
143.01909	1.9
143.08470	2.9
145.10068	3.0
147.08037	6.1
147.11664	21.0
149.09579	13.4
151.07530	6.0
153.09044	14.5
156.09348	7.5
161.02914	3.6
161.13203	18.8
163.11072	2.2
165.08977	2.0
165.12796	2.2
171.11632	3.2
178.81453	1.6
179.14268	1.9
189.12749	11.5
190.70323	1.6
207.13756	6.0
225.11140	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	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03937	1.7
55.01873	3.0
55.05503	15.7
56.96561	4.0
57.03413	3.2
57.07071	66.8
59.04985	4.9
60.55983	2.1
67.05484	16.0
69.03421	8.9
69.07053	25.0
70.88053	2.0
71.04979	61.7
71.08616	34.8
72.08131	4.5
79.05467	24.9
81.03409	5.1
81.07036	44.0
83.04974	4.3
83.08594	20.2
84.08133	3.9
85.02898	4.2
85.06518	7.1
85.10163	13.9
91.05471	25.5
93.07018	25.9
95.04958	15.3
95.08585	35.1
97.06518	80.4
97.10167	2.4
98.97572	4.0
99.04434	100.0
101.05974	4.0
101.95020	9.0
105.07014	34.1
107.04933	3.6
107.08583	68.7
109.06510	39.0
109.10155	16.4
111.08064	3.3
111.11709	4.4
112.11244	4.5
113.09644	3.9
119.01894	30.3
119.04913	10.7
119.08568	21.7
119.96048	2.2
121.06498	4.7
121.10133	37.9
123.08052	43.4
123.11688	35.0
125.09605	10.1
131.08565	10.6
133.06450	2.6
133.10126	12.6
135.11667	10.0
137.02936	22.1
137.06024	2.6
137.09634	4.5
137.13239	9.5
137.97139	3.0
139.11156	8.0
141.12723	2.9
142.03539	9.8
147.04369	19.4
147.11633	15.4
149.09601	22.8
149.13277	10.2
151.07536	2.8
157.00110	2.9
160.04453	3.9
161.13277	8.6
163.11253	2.8
165.09178	3.0
165.12717	29.2
167.10664	21.4
167.14333	4.1
179.04042	4.4
179.14330	3.6
183.13773	37.8
189.12706	16.4
189.16284	4.7
207.13850	19.6
207.17378	2.7
225.14766	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03937	2.9
55.01863	6.1
55.05505	22.5
57.03412	5.5
57.07059	5.7
57.48338	1.2
59.04766	1.2
59.04993	20.5
65.03917	1.5
67.05488	34.8
67.51935	1.2
69.03410	11.7
69.07064	10.6
70.90250	1.1
71.04945	4.8
71.08595	1.7
79.05479	25.7
81.03394	3.0
81.07040	24.6
83.04958	7.9
91.05460	40.0
91.68248	1.5
93.07020	45.3
95.04948	23.8
95.08578	29.5
97.06502	5.6
103.05432	7.2
105.04477	2.0
105.07015	92.2
107.04947	10.7
107.08580	97.4
108.05738	5.7
109.06497	44.1
109.10135	31.6
111.04435	1.6
111.08041	2.5
117.06990	7.7
119.01875	2.5
119.06039	2.0
119.08560	61.9
121.06488	17.1
121.10126	12.0
122.07280	3.3
123.08051	100.0
125.06001	1.9
125.09573	5.6
128.75909	1.2
129.06976	2.4
131.08522	7.5
133.06432	9.4
133.07497	1.5
133.10094	17.0
135.08037	39.7
135.11678	28.0
137.09596	80.9
143.08528	3.2
145.10083	5.5
147.08063	4.9
147.11668	19.9
149.09595	6.8
151.07518	8.7
153.09052	13.5
156.09294	8.3
159.11697	3.2
161.13211	27.3
165.12688	1.8
171.11630	6.8
177.12706	1.8
189.12711	8.3
206.35495	1.4
207.13777	2.4
209.97536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
53.03918	0.4
55.01857	1.3
55.05502	2.1
56.96542	0.3
57.03426	1.5
57.07066	5.3
57.74824	0.2
62.14244	0.2
65.03894	0.3
67.05489	2.3
69.03413	3.9
69.07045	1.0
71.04968	0.5
71.08612	2.2
72.08108	0.2
77.35194	0.2
79.05470	7.5
81.03398	2.1
81.07032	3.6
83.04957	6.7
85.02872	1.5
85.06548	0.3
85.10172	0.9
91.05462	7.5
93.07020	20.1
94.39592	0.2
95.04939	2.3
95.08587	3.9
99.04423	0.4
101.95020	0.2
103.05461	0.5
105.04500	0.2
105.07012	10.8
106.07780	0.2
107.04932	6.7
107.08578	4.9
107.54890	0.2
109.06494	3.0
109.10165	2.0
111.04426	2.7
111.08054	0.2
116.06223	1.1
117.06999	1.0
119.01888	1.5
119.04872	0.2
119.08559	7.8
121.06491	2.0
121.10113	19.8
122.07252	0.3
123.08043	5.8
123.11689	1.1
125.05960	0.5
129.06984	0.9
131.08537	9.4
133.06454	0.4
133.07562	0.5
133.10110	1.0
135.08034	0.8
135.11676	0.3
137.02921	0.4
137.09593	4.2
142.03511	0.5
145.10103	1.7
147.08014	1.2
147.11690	1.4
149.09592	100.0
150.09964	0.3
151.03912	0.4
151.07478	0.8
159.08185	0.2
161.13231	1.2
163.11122	2.7
165.09091	5.6
165.12714	1.0
167.10638	27.1
171.11621	0.4
183.13741	0.3
189.12691	1.2
207.13783	1.3
225.14766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03930	0.5
55.01859	0.5
55.05507	6.5
57.07072	5.7
59.04983	1.5
65.03933	0.4
65.08527	0.2
67.05499	26.1
69.03416	1.4
69.07063	1.8
71.04976	1.2
71.08611	0.5
76.69597	0.2
79.05489	2.4
81.03404	0.3
81.07042	5.9
83.04977	2.2
83.08607	0.5
85.02914	0.4
85.06535	6.4
85.10161	0.3
91.05470	4.7
93.07031	10.5
95.04964	2.9
95.08591	100.0
97.06548	1.2
99.04428	0.3
103.05437	0.3
105.07020	7.2
107.08584	7.5
107.09291	0.3
107.14957	0.3
108.05747	0.3
109.06507	1.9
109.10152	1.6
111.08112	0.4
113.05999	3.2
117.06993	0.5
119.01900	1.6
119.08569	11.9
121.06483	1.0
121.10126	5.8
123.08054	22.5
123.11677	3.2
127.07561	0.3
129.42982	0.3
129.88063	0.2
131.08556	1.6
133.06490	0.5
133.10117	2.0
135.08089	0.6
135.11679	6.8
137.03000	0.4
137.09583	1.0
137.13260	0.6
141.09122	1.3
143.01918	0.6
145.10071	0.4
147.04245	0.3
147.08055	1.5
147.11676	3.9
149.09612	12.4
151.07544	1.0
151.14838	1.4
159.08092	0.5
161.02933	1.4
161.09576	0.4
161.13245	4.5
163.11124	1.1
165.12741	2.9
171.11592	0.4
174.10406	1.1
177.05913	0.3
179.14333	1.3
182.08348	0.3
189.12753	3.5
191.05154	0.3
207.13791	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.00280	1.1
53.03935	8.0
55.01860	4.8
55.05505	39.7
56.79914	0.7
57.03420	3.4
57.07067	11.5
59.04983	1.0
65.03933	1.9
67.05491	63.7
69.07056	15.4
71.04973	5.4
71.08605	6.9
73.06544	3.3
79.05473	100.0
81.03394	9.0
81.04389	0.8
81.07039	53.6
82.41661	0.8
83.04965	39.8
83.08580	5.9
85.06539	3.2
85.10176	1.4
91.05460	84.4
92.08734	1.9
93.07021	90.3
95.04951	31.0
95.08589	26.7
97.06512	5.5
97.10139	4.7
101.95023	4.7
102.21514	0.9
105.04501	4.0
105.07014	50.2
107.04932	6.5
107.08582	15.7
109.05855	1.1
109.06488	8.2
109.10135	1.8
117.06995	11.9
119.01894	10.3
119.08557	28.5
121.06499	1.5
121.10119	3.7
123.08012	6.0
127.07529	1.2
128.06195	3.6
129.06981	17.7
130.07730	1.3
131.08563	3.3
133.10106	11.2
137.02956	3.4
142.03453	1.7
143.08501	8.4
145.10106	8.3
147.08063	1.1
147.11662	39.1
152.23616	0.8
160.04495	1.0
161.02702	0.8
161.09618	1.9
161.13226	8.1
167.14175	0.8
169.10178	0.8
171.11662	21.0
179.03992	1.4
189.12749	7.5
207.13785	11.9
216.57271	0.8
225.14832	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	225.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12629	0.9
53.00323	1.3
53.03933	1.4
55.01870	2.0
55.05505	29.7
56.96558	2.9
57.03429	2.0
57.07069	46.8
58.06577	1.8
61.02924	1.4
65.03928	5.0
67.05492	8.1
67.85896	1.1
69.03419	5.2
69.07056	19.1
71.04977	22.4
71.08620	23.1
72.08127	1.2
77.03923	2.2
79.05467	8.0
79.20267	1.1
81.03398	2.2
81.07050	15.6
83.04960	19.0
83.08616	1.2
85.02887	3.1
85.06534	2.4
85.10176	9.9
87.04479	1.3
89.03904	1.5
90.04689	1.1
91.05460	100.0
93.07020	17.8
95.04945	21.1
95.08599	16.3
97.06528	5.5
98.97566	2.6
99.04438	37.8
103.05435	5.0
105.03397	1.9
105.07024	13.7
107.04932	5.8
107.08581	20.9
108.05691	1.4
109.06522	10.4
109.10184	9.0
111.04427	1.7
116.98644	2.4
117.06985	2.3
118.04142	11.9
119.01907	27.4
119.04926	89.2
119.08549	22.4
119.95942	1.4
120.05232	2.5
121.06493	2.4
121.10132	29.0
123.08056	17.3
123.11675	8.5
125.05990	2.9
125.09628	2.5
128.06177	1.6
129.03366	1.2
129.06972	10.2
131.04944	1.6
131.08554	2.7
132.02087	5.7
133.06438	1.3
133.10104	5.8
135.04428	4.9
135.08061	2.3
135.11659	2.4
135.83409	1.3
136.05191	4.9
137.02957	12.9
137.05939	3.1
137.09601	12.5
142.03494	9.0
142.99139	1.4
145.02840	1.3
145.10106	1.8
146.03661	1.8
147.04388	73.9
147.08022	17.8
147.11687	11.9
148.04779	5.4
149.02309	13.9
149.09558	9.4
151.07512	23.4
153.05432	1.4
153.12749	14.6
157.03993	4.9
157.06506	5.1
158.20021	1.4
160.04549	2.5
161.00960	1.4
161.03000	1.8
161.06085	1.4
161.09589	2.6
161.13239	6.5
163.03886	1.7
163.11157	6.9
164.04674	9.5
165.12762	4.9
167.10631	5.0
167.14229	1.9
171.11658	2.1
174.03111	1.8
174.06824	1.8
175.03883	73.5
177.01852	6.1
179.03860	2.0
179.07008	21.3
179.14293	6.8
181.12251	1.4
183.13791	7.1
189.09077	6.3
189.12788	3.0
189.16412	1.6
192.04137	39.0
195.13768	11.3
202.05551	1.5
207.06497	82.7
207.10150	6.0
207.13722	9.1
225.14838	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	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.00284	0.7
53.03930	1.0
53.76514	0.6
55.01857	1.6
55.05502	5.6
56.34673	0.7
56.96543	1.7
57.03418	0.9
57.07064	18.5
58.06577	0.8
59.05000	1.3
62.43718	0.8
65.03918	5.0
67.05482	3.0
69.03420	1.4
69.07036	3.4
71.04977	16.3
71.08609	10.1
77.03885	1.3
79.05469	6.4
81.03408	1.2
81.07030	9.1
83.04962	4.0
83.08589	1.5
85.02875	1.0
85.06530	1.5
85.10173	1.8
89.03912	3.3
91.05456	100.0
92.31097	0.8
93.07027	9.4
95.04945	7.8
95.08589	8.2
97.06494	1.0
98.97560	1.0
99.04431	24.8
99.08063	0.9
101.00872	0.8
103.05445	4.7
105.03371	0.9
105.07008	11.0
107.04926	3.1
107.08572	14.9
108.05772	1.2
109.06495	7.2
109.10146	2.9
116.98586	1.2
117.06966	1.4
118.04147	12.9
119.01884	9.0
119.04915	93.2
119.08540	11.8
121.02863	2.9
121.06467	1.5
121.10114	23.4
123.04425	1.5
123.08053	15.0
123.11726	5.1
125.05954	0.8
125.09623	3.0
129.03371	1.2
129.07025	0.8
131.01886	1.7
131.04900	1.5
131.08574	3.0
132.02052	7.7
133.02853	1.7
133.06473	1.3
133.10161	1.4
135.04398	4.3
135.07997	1.7
135.11661	0.8
136.05154	5.2
137.02956	5.1
137.05957	1.3
137.09608	3.9
137.13190	0.8
142.03476	4.7
143.08522	0.9
145.02771	1.5
145.10127	3.9
145.93327	0.7
146.03584	1.6
147.04387	69.4
147.08069	1.7
147.11670	8.4
148.04700	1.0
149.02310	17.8
149.09578	5.9
151.07567	5.6
153.05449	1.2
157.03947	8.0
161.03017	1.0
161.13246	4.1
162.03024	0.9
163.03868	1.0
163.11168	3.1
164.04651	9.2
164.07085	1.0
165.05438	0.9
165.12692	1.5
167.10593	4.8
174.03065	1.5
175.03865	75.4
177.01793	3.7
179.03918	1.4
179.07021	11.5
179.14270	4.0
183.13789	2.9
189.12749	4.1
192.04135	37.5
193.04851	1.5
207.06490	93.4
207.13713	6.9
225.11023	1.5
225.14777	7.6
243.40849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84870	2.3
55.01860	4.8
57.03427	20.5
57.79458	2.2
58.02948	3.8
61.02909	6.1
68.37355	3.2
68.99778	13.1
69.03416	5.1
71.01357	4.6
71.04978	3.6
73.02892	20.1
84.08103	2.7
85.02878	14.0
86.06055	4.0
87.04438	4.1
97.02879	10.8
101.00864	2.6
101.02371	66.0
111.00781	17.5
111.02925	3.8
115.03897	11.7
119.01949	5.0
119.03397	28.4
121.06506	2.9
129.01822	45.9
131.01933	4.6
139.00249	37.1
143.01836	3.5
143.02129	4.3
143.03380	100.0
155.01845	6.0
157.01321	26.1
161.03067	5.6
161.04431	28.7
169.11053	2.9
171.02870	16.7
173.02960	17.4
185.03015	6.6
189.03896	21.6
203.03999	4.7
215.04231	2.9
221.04977	3.9
224.07626	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	225.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55770	0.2
74.01288	0.2
76.96613	0.2
81.66011	0.2
82.99827	0.7
86.66834	0.2
100.02443	0.2
101.00864	18.3
118.03526	0.2
119.01905	100.0
120.02390	0.2
121.02332	0.4
124.02421	1.8
137.02939	32.5
142.03485	34.0
143.01872	0.2
160.04527	11.9
161.02928	10.1
165.05112	0.9
179.03983	23.4
184.04480	0.9
202.05544	2.0
219.02069	0.2
236.44814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05445	0.2
51.33176	0.2
68.18940	0.2
82.99825	0.5
100.02459	0.4
101.00852	19.3
119.01892	100.0
124.02428	2.0
126.26057	0.2
130.20529	0.2
137.02928	37.5
142.03476	36.7
142.04637	0.5
143.01828	0.3
150.87988	0.3
154.59322	0.2
160.04521	13.6
161.02917	10.7
165.05086	1.0
177.00943	1.2
179.03967	25.1
184.04506	1.7
199.50128	0.5
202.05609	2.2
216.51198	0.2
234.97612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.80151	0.9
52.70716	0.9
53.42892	1.3
53.61253	1.0
55.01846	1.0
55.05510	2.6
56.96551	1.9
57.03432	1.6
57.07070	22.6
61.53164	1.0
65.03925	5.7
67.05489	1.2
67.43459	1.0
67.80629	1.1
69.03397	1.6
69.07034	1.1
71.04975	1.3
71.08611	12.9
73.97192	1.0
76.03151	1.2
79.05472	2.8
81.07041	5.1
85.10164	6.4
89.03889	4.6
91.05462	90.9
93.06992	2.6
95.04916	8.3
95.08580	1.9
98.97575	1.2
99.04421	2.9
101.00838	1.2
103.05476	2.5
105.03364	1.9
105.07042	5.9
107.04928	1.4
107.08577	5.0
108.05686	2.1
109.06514	2.5
109.10171	2.2
114.27534	1.3
118.04147	10.9
119.01915	14.9
119.04922	94.7
119.08556	5.3
121.02829	1.9
121.10159	4.8
123.04398	1.4
123.08024	2.7
123.11697	1.5
127.72604	1.4
129.03342	1.2
131.58031	1.2
132.02049	6.3
132.15535	1.2
133.02846	2.5
135.04411	2.0
136.05170	2.5
136.16405	1.3
137.02924	4.7
142.03493	4.8
145.02823	2.3
146.03619	2.5
147.04391	72.0
147.08018	2.6
149.02280	12.6
149.09596	2.4
151.07495	6.1
157.03973	5.5
160.04501	1.5
163.03938	1.6
163.11140	2.5
164.04634	9.7
175.03873	72.8
177.01878	4.5
179.04041	2.2
179.07033	12.0
192.04149	37.8
207.06499	100.0
207.13760	2.5
216.50275	1.1
225.07503	1.3
225.14871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
51.78199	1.6
52.33168	1.6
53.03928	2.0
55.01865	3.1
55.05483	7.1
56.96550	2.7
57.03404	1.8
61.02894	2.5
62.22559	1.4
67.05479	4.5
69.03398	12.7
69.07036	3.0
71.04980	20.1
74.95545	1.6
79.05473	13.3
81.07014	10.6
83.04965	33.0
85.02855	3.0
91.05447	20.6
93.07024	32.9
95.04934	9.8
95.08562	8.1
97.02858	7.4
97.06499	3.8
98.97553	12.0
99.04443	3.2
99.97849	2.3
103.05460	2.7
105.07006	26.5
106.51959	1.8
107.04917	8.0
107.08582	17.0
109.06480	9.2
109.10112	3.2
111.08034	4.5
115.05489	2.1
116.98602	11.7
117.06974	11.0
119.08539	20.3
121.02892	1.7
121.06479	33.6
121.10111	16.2
123.07298	1.8
123.08056	21.2
125.05978	2.0
125.09672	1.9
129.07013	3.1
130.07761	7.1
131.04929	2.8
133.10065	9.0
134.99609	10.6
135.04393	3.1
135.08025	11.6
135.11627	10.7
137.09557	7.5
139.07504	2.4
143.08525	2.8
144.09294	2.7
145.10098	33.1
146.07202	2.4
147.08008	47.1
148.32639	1.9
149.05937	49.0
149.09601	3.1
159.11658	11.2
161.09563	9.6
162.10353	11.0
163.11139	100.0
165.09129	6.9
177.05446	11.0
177.12712	7.4
187.11133	2.5
198.28687	2.0
205.08516	2.8
205.12227	32.2
223.05894	14.3
223.13268	10.1
223.16821	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81885	10.1
55.07205	8.6
57.03419	14.4
58.02950	13.9
73.02875	23.8
87.04459	14.2
91.04220	11.0
92.09379	13.3
101.02368	24.5
115.03904	45.2
125.23152	11.6
129.01807	100.0
134.86584	11.2
143.03313	26.5
157.01302	55.0
161.04404	27.2
189.03931	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
51.37423	1.1
53.03934	0.9
54.81401	1.1
55.01884	1.6
55.05507	14.3
56.96555	1.7
57.03427	2.1
59.04987	1.2
65.17406	1.0
67.05485	5.8
69.03410	20.8
69.07053	8.1
71.04966	1.5
72.08134	1.1
79.05474	6.9
81.03393	1.3
81.07028	6.7
83.04959	13.9
83.08604	11.8
84.31115	1.1
87.04458	2.1
88.60653	1.0
91.05467	17.5
93.07020	33.4
95.04958	9.1
95.08558	8.1
97.06495	2.3
98.97562	9.2
103.05450	8.3
105.06983	14.3
107.04948	2.6
107.08574	29.1
109.06506	15.0
109.10162	2.9
115.05479	1.1
116.98588	7.6
117.07012	7.3
117.98909	1.7
119.06019	1.8
119.08553	19.5
121.06483	50.2
121.10108	11.4
122.07198	1.6
123.08013	5.9
128.06125	1.7
129.06984	5.4
130.07735	1.2
131.04948	8.4
131.08505	13.0
133.10106	11.2
134.99651	1.7
135.04388	2.0
135.08031	18.8
135.11646	9.1
137.09621	12.7
139.07480	1.3
143.08475	1.3
144.09357	10.3
145.06471	1.6
145.10114	7.3
146.07356	1.7
147.07977	8.5
147.11653	1.9
149.05960	8.8
149.09625	2.1
149.13266	4.5
159.08044	1.4
159.11656	25.5
161.09595	7.3
161.70976	1.1
162.10339	7.0
163.07480	2.2
163.11150	6.7
172.08815	5.9
173.13252	1.2
176.08398	1.4
177.00650	1.6
177.12708	100.0
179.10638	8.2
187.11113	10.3
190.09923	1.6
205.12213	62.5
223.13271	19.4
223.16769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03932	2.1
55.01866	3.5
55.05497	12.4
57.03419	1.8
61.02890	2.4
64.32993	2.0
67.05487	8.0
69.03413	23.2
69.07053	5.1
71.04977	13.5
72.08141	4.8
79.05466	15.4
81.07022	8.9
83.04963	30.5
83.08606	3.7
85.02882	2.8
91.05470	24.8
93.07024	40.5
95.04949	10.3
95.08591	9.2
97.06518	4.9
98.97568	13.5
99.04460	4.3
103.05450	4.2
105.07019	29.9
107.04925	10.3
107.08591	29.6
109.06516	9.2
109.10174	3.9
116.98614	8.6
117.06996	14.8
119.08556	28.7
121.06494	53.0
121.10129	24.9
123.08067	21.7
125.09554	2.6
129.07022	2.6
130.07779	8.3
131.04991	3.1
131.08582	10.0
133.10138	10.9
135.04367	3.9
135.08047	18.4
135.11700	8.8
137.09630	10.1
144.09343	7.8
145.10130	42.3
146.07257	4.1
147.08052	47.6
149.02338	2.6
149.05971	50.0
149.13225	3.4
159.11649	20.0
161.09618	19.1
162.10373	14.4
163.07553	3.7
163.11162	100.0
165.09090	3.4
172.08856	4.3
177.12714	54.0
179.10670	3.9
187.11166	7.5
205.12212	58.8
223.13271	9.5
232.17938	2.1
244.67914	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03934	4.2
55.01853	8.9
55.05503	37.6
56.96541	2.1
57.03425	14.5
57.07063	2.0
59.04974	8.4
65.03896	1.6
65.49598	1.4
67.05486	16.5
69.03414	16.2
69.07042	16.0
71.04967	8.0
72.08104	1.6
79.05478	15.2
81.03381	8.0
81.07025	23.7
83.01324	11.9
83.04965	22.1
85.02887	31.9
85.06536	2.7
91.05464	39.6
93.07018	83.7
95.04944	32.6
95.08585	18.5
96.80180	1.5
97.06501	4.0
97.10160	13.7
98.97572	3.6
103.05406	3.4
105.07001	34.5
107.04930	2.7
107.08573	33.9
109.06506	26.4
109.10122	8.8
111.08069	32.5
113.05994	2.4
115.05444	2.0
117.06992	11.5
119.08562	29.9
121.06480	100.0
121.10101	14.0
122.07284	2.0
123.08028	27.2
125.05974	2.4
125.09592	16.5
128.06189	2.9
129.06967	7.9
130.07703	3.9
131.08554	14.2
133.10071	20.7
135.07993	26.4
135.11659	13.7
137.05980	2.5
137.09592	16.0
139.07506	4.2
143.08481	2.6
144.09351	8.5
145.10088	21.8
147.07988	8.5
147.11649	2.0
149.02280	2.2
149.05984	2.3
149.09589	36.4
149.13196	2.7
151.07521	2.3
151.11136	8.5
153.09125	17.3
159.08031	3.3
159.11661	23.7
160.08827	2.9
161.09555	10.7
163.11130	17.1
165.09097	10.6
167.06920	2.8
172.08794	2.5
175.11134	9.5
177.12688	22.2
179.10661	15.8
187.11096	8.5
193.12257	8.2
205.12250	34.2
223.13261	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40766	0.5
53.03939	0.5
55.01865	1.2
55.05503	9.6
56.96556	0.7
65.03924	0.8
67.05495	6.1
69.07049	7.0
69.54603	0.5
71.04973	1.0
77.60236	0.5
78.99802	0.5
79.05479	6.0
81.03410	4.9
81.07041	10.8
83.04962	1.0
83.08607	2.7
85.02880	2.3
85.33837	0.7
91.05458	5.3
92.14253	0.5
93.07002	3.9
95.04946	100.0
95.08604	3.8
98.97564	6.8
99.97901	1.2
105.07028	3.1
107.04953	0.8
107.08568	2.5
109.06529	2.9
116.98589	5.9
117.06990	2.5
117.98946	0.9
119.08529	3.8
121.06479	3.0
123.08060	1.2
131.08530	0.8
134.99638	2.9
135.08159	0.7
135.11696	2.2
136.00021	0.6
143.08525	0.9
145.10143	4.6
147.08067	2.5
158.01227	0.6
159.11722	0.7
163.11160	10.1
177.12761	0.8
187.11208	0.8
205.12236	0.9
215.35765	0.7
223.13290	3.1
223.17052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.30190	1.5
53.03926	2.2
55.01873	6.7
55.05506	13.8
56.96553	3.4
57.03429	3.9
57.07059	1.7
59.04987	6.2
67.05495	15.9
69.03415	12.8
69.07056	9.1
71.04967	1.9
73.07563	1.5
79.05462	13.9
81.03396	3.9
81.07039	18.1
81.35612	1.5
82.86518	1.7
83.04974	17.1
85.02898	8.1
85.06535	3.7
91.05459	29.4
91.62872	1.9
93.07018	51.3
95.04937	22.7
95.08602	12.5
97.06487	3.2
98.97566	12.0
105.07028	29.2
107.04945	3.8
107.08592	22.2
109.06506	58.2
109.10139	10.7
109.61595	1.8
111.08078	11.0
113.05988	11.7
115.05477	2.5
115.47932	1.8
116.98612	12.4
117.06989	12.0
119.04979	1.8
119.08573	22.1
121.06495	57.5
121.10126	18.0
123.08038	16.0
123.11719	2.0
125.09640	1.6
128.06209	2.2
129.07030	2.3
131.08578	14.9
133.10112	19.5
134.99609	1.9
135.08026	32.8
135.11632	6.5
137.09567	21.6
139.07498	2.3
143.08575	7.8
144.09352	3.8
145.06456	2.0
145.10112	16.0
146.07234	6.4
147.08049	2.8
149.06036	2.2
149.09599	100.0
149.13246	2.3
151.11191	10.9
153.09106	3.0
156.57961	1.7
159.08058	2.3
159.11684	16.8
161.05902	2.0
161.09598	23.5
163.07484	2.1
163.11176	13.6
165.09116	8.2
167.06990	2.8
172.08852	2.7
175.11185	3.4
177.00693	3.2
177.09309	2.0
177.12689	12.1
179.10620	21.7
187.11214	11.3
193.12311	2.6
205.12167	22.1
223.02200	5.4
223.13318	15.4
235.96962	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.96286	0.5
56.96559	12.0
58.61790	0.4
71.76677	0.4
71.95231	0.8
81.07053	0.5
91.05444	2.8
93.07036	1.9
98.97558	92.0
105.06997	2.5
106.07307	0.5
107.08549	0.5
109.10096	0.5
116.98595	100.0
117.06980	1.0
119.08559	14.5
121.10125	1.8
122.10474	0.6
124.57426	0.4
125.59520	0.5
133.10081	4.4
134.10872	2.1
134.99634	83.5
135.08032	5.9
137.05925	2.0
137.09584	16.3
138.80952	0.5
140.00183	4.0
147.09158	1.0
149.09619	2.5
149.13223	5.4
153.00681	19.9
157.99969	1.0
158.01230	24.0
159.11565	0.6
161.09589	6.6
176.02295	6.5
177.12706	90.5
178.05760	2.4
178.09448	0.6
197.01241	0.9
198.98943	0.5
201.06712	1.0
222.11411	0.6
222.14873	0.7
222.18481	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	222.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01866	14.4
55.05504	3.5
56.05022	0.7
56.96556	9.6
57.07066	0.5
65.03925	0.6
67.05141	0.5
67.05492	13.7
68.05014	4.3
69.03416	0.8
69.05786	0.6
69.07055	4.9
70.02931	0.7
70.06564	2.7
71.04980	4.3
71.95249	0.7
79.05473	23.1
79.96536	0.3
80.05004	2.5
81.03403	0.3
81.07038	22.5
82.02932	0.7
82.06561	3.0
83.04953	0.7
84.04488	1.3
84.08118	1.3
86.06050	0.3
91.05462	14.5
92.04958	0.3
92.09329	0.9
93.05776	0.8
93.07023	25.3
94.06541	15.0
95.04950	6.3
95.07318	0.7
95.08572	3.6
95.54728	0.3
96.08089	3.5
98.06024	1.3
98.97562	62.5
99.47533	0.3
103.05436	0.6
105.04486	0.8
105.05826	0.4
105.07019	5.3
106.06541	4.1
107.04935	7.6
107.07432	0.4
107.08575	11.4
108.08106	2.4
109.05238	0.5
109.06493	4.3
109.10144	0.6
110.06021	2.3
110.09674	0.8
112.07587	4.7
115.05448	0.4
116.98597	66.1
117.05713	0.4
117.06991	2.7
118.06509	4.8
118.68565	0.3
119.07314	0.7
119.07759	0.4
119.08543	5.1
120.04461	2.1
120.08083	14.9
121.06478	0.4
121.08852	0.4
121.10130	1.7
122.06005	22.2
122.09646	0.5
124.07545	0.7
130.06490	0.6
131.04866	0.3
131.08531	0.7
132.08061	1.6
133.06499	0.4
133.08844	2.4
133.10085	1.5
134.06032	1.4
134.09630	4.1
134.99635	60.7
135.07056	0.4
135.07997	3.3
135.11665	2.0
136.07552	24.3
137.09711	0.4
140.00162	3.5
140.07048	0.4
144.08022	0.4
145.06467	0.5
146.09622	3.7
147.10390	1.6
147.11618	0.5
148.07553	14.5
148.11134	2.5
149.01222	1.7
149.08366	4.1
150.09149	0.5
153.00699	12.0
156.07965	0.6
157.08824	1.2
158.01230	20.2
158.09612	0.8
160.07532	0.7
160.11172	2.7
161.08305	1.9
161.09520	0.4
161.11929	0.5
162.09058	1.8
162.12776	0.8
167.02242	1.2
170.09589	0.5
171.10352	0.7
172.11270	0.4
174.09073	0.5
174.12752	3.2
175.09850	0.6
175.11177	0.4
175.13498	0.4
176.02306	4.8
176.14305	10.5
177.09064	0.4
178.09384	2.7
181.02933	0.5
181.87575	0.4
184.11240	0.6
186.12712	5.4
188.14760	0.3
198.98825	0.5
204.13808	100.0
205.14192	0.4
222.11296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1124
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
55.05508	0.5
56.05032	0.8
56.96554	7.3
60.04515	3.6
64.82150	0.4
67.92795	0.4
71.95250	0.6
81.07048	0.8
83.01302	0.5
91.05466	1.8
93.07005	1.1
95.04935	1.1
95.08622	0.5
98.97567	50.4
103.05450	54.0
105.07040	0.9
107.08555	0.6
116.98602	53.8
117.06976	0.5
119.08563	0.4
120.08890	0.4
121.10117	2.0
122.03595	0.7
122.10487	0.7
131.04906	100.0
134.99638	46.1
135.04517	0.5
136.54391	0.5
137.05952	13.4
137.09622	0.6
140.00163	2.8
145.06509	0.7
148.07542	3.0
153.00685	10.5
158.01215	15.0
159.73398	0.6
161.05933	0.5
161.08344	5.2
163.07513	44.7
165.09058	1.0
176.02266	4.1
176.07027	9.8
177.09088	1.0
178.09477	1.0
180.10149	5.2
188.22078	0.5
189.07825	7.0
190.08612	11.5
204.10246	3.3
207.08896	11.8
222.11220	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
50.05268	0.3
53.03922	0.3
55.05501	0.4
56.96555	4.1
60.04492	1.7
61.33307	0.4
66.22478	0.4
67.05505	0.5
69.03422	0.6
69.07029	0.4
71.95251	0.3
72.08134	0.5
79.05475	0.7
81.07059	1.3
83.06001	0.4
83.44489	0.3
84.96005	0.3
85.02905	0.7
91.05473	1.6
93.07044	0.7
95.04978	0.4
98.97565	15.5
102.96848	0.5
103.05445	0.6
104.05029	0.4
105.07021	1.4
106.06567	0.5
107.04954	0.7
107.08562	0.8
109.10181	0.5
116.98602	15.2
119.04948	0.7
119.08558	1.8
120.08086	12.1
120.97924	0.5
121.06463	0.4
121.10128	1.9
122.10449	0.6
130.06508	100.0
131.04924	0.6
132.04436	18.9
134.99641	12.6
141.36533	0.4
146.05994	0.5
146.99615	0.5
147.11629	0.5
148.07552	23.6
149.06047	0.4
150.06163	0.4
150.74593	0.4
153.00687	3.2
158.01262	3.0
158.05994	33.4
158.99641	0.5
161.06012	0.4
168.38474	0.4
176.02332	0.6
176.07033	49.4
177.00642	0.5
177.09097	3.6
178.09425	2.0
204.06441	0.6
222.07681	5.4
222.11490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1123
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
55.05508	10.7
56.96544	5.0
57.03402	0.8
57.07061	2.0
60.04514	1.8
65.76063	0.9
67.05481	1.2
69.03427	1.2
69.07054	1.3
71.04990	0.9
79.05462	3.7
81.07027	5.4
83.08590	9.0
85.02880	1.9
87.00800	1.7
90.90723	0.9
91.05463	1.3
93.07010	6.0
94.07359	1.1
95.04921	0.9
95.08557	1.8
97.02871	1.3
98.97562	27.1
102.96879	2.0
103.05447	41.7
105.00079	1.0
105.07009	4.1
107.08548	1.8
109.10133	1.0
110.10436	1.1
116.68572	0.9
116.98601	21.6
117.06956	1.0
119.01883	1.1
119.08559	3.1
120.08065	4.5
120.97851	3.4
121.10130	6.3
122.10444	3.8
130.06511	34.2
131.04904	74.6
132.04420	6.5
134.99638	19.1
135.11671	0.9
137.05962	18.3
138.98891	3.4
143.10780	0.8
146.99597	0.9
147.11671	1.5
148.07550	10.3
148.12949	0.9
148.98828	0.9
149.02780	0.9
153.00688	4.0
155.08327	0.8
158.01225	4.4
158.05952	9.5
161.08307	8.5
162.13571	1.0
163.07510	30.9
175.81049	0.8
176.02338	1.1
176.07030	27.4
177.00691	1.2
177.09070	1.3
180.10152	4.0
181.86028	0.8
189.07813	12.7
190.08597	12.8
194.08989	1.0
203.17908	1.6
204.10188	4.7
204.18352	1.5
207.08858	17.7
221.19019	1.0
222.08348	3.2
222.11223	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	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05268	0.3
53.03922	0.3
55.05501	0.4
56.96555	4.1
60.04492	1.7
61.33307	0.4
66.22478	0.4
67.05505	0.5
69.03422	0.6
69.07029	0.4
71.95251	0.3
72.08134	0.5
79.05475	0.7
81.07059	1.3
83.06001	0.4
83.44489	0.3
84.96005	0.3
85.02905	0.7
91.05473	1.6
93.07044	0.7
95.04978	0.4
98.97565	15.5
102.96848	0.5
103.05445	0.6
104.05029	0.4
105.07021	1.4
106.06567	0.5
107.04954	0.7
107.08562	0.8
109.10181	0.5
116.98602	15.2
119.04948	0.7
119.08558	1.8
120.08086	12.1
120.97924	0.5
121.06463	0.4
121.10128	1.9
122.10449	0.6
130.06508	100.0
131.04924	0.6
132.04436	18.9
134.99641	12.6
141.36533	0.4
146.05994	0.5
146.99615	0.5
147.11629	0.5
148.07552	23.6
149.06047	0.4
150.06163	0.4
150.74593	0.4
153.00687	3.2
158.01262	3.0
158.05994	33.4
158.99641	0.5
161.06012	0.4
168.38474	0.4
176.02332	0.6
176.07033	49.4
177.00642	0.5
177.09097	3.6
178.09425	2.0
204.06441	0.6
222.07681	5.4
222.11490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.18291	0.8
51.30911	0.7
53.00295	1.3
53.03941	1.2
54.81265	1.0
55.05499	1.4
56.96558	13.0
57.07063	12.4
62.06604	0.9
67.05486	7.3
69.07063	4.1
71.04955	0.9
72.55444	1.0
72.55878	0.8
79.05483	5.2
81.07024	8.6
85.06525	1.6
85.10166	20.0
86.44483	1.0
91.05453	26.5
93.07018	50.5
95.04953	5.1
95.08582	11.2
98.97556	87.4
105.07018	9.1
107.08582	6.4
109.10132	1.8
113.09624	18.6
113.10386	1.4
116.98593	100.0
119.08536	14.0
121.10134	16.2
123.11697	1.3
133.10083	5.6
134.99628	87.6
137.05957	1.7
140.00114	3.9
140.51654	0.9
147.11665	2.5
153.00676	24.8
158.01216	31.3
176.02275	10.7
181.02777	1.2
188.08315	1.1
196.67838	1.0
203.17995	8.2
221.18999	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	222.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88760	0.2
51.99242	0.2
59.63610	0.3
72.08143	0.4
91.45222	0.2
97.49956	0.3
101.00846	1.2
119.01895	6.0
120.01968	3.0
123.02158	1.1
124.76826	0.3
132.02733	0.4
133.01669	0.5
137.01987	0.4
137.02899	2.6
138.02948	0.4
138.96368	4.5
144.02652	0.5
145.03488	0.4
148.01372	0.4
148.51430	1.5
149.01302	1.8
156.97453	79.2
158.02397	0.5
158.97867	0.5
160.52095	0.3
161.02931	0.4
174.98499	100.0
176.98842	0.4
179.00766	0.3
179.04070	0.5
179.99016	1.9
180.04059	0.6
198.00105	2.0
198.98495	10.0
202.03268	0.3
203.02417	0.3
211.03735	0.5
216.99551	29.4
222.53862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55357	0.3
56.96554	4.7
57.07055	0.8
60.33639	0.3
67.05477	0.6
69.07046	0.6
72.90405	0.3
79.05465	0.8
79.11390	0.3
81.07021	1.6
84.81836	0.3
91.05466	1.7
92.08659	1.0
93.07022	1.8
95.08584	0.6
98.97552	5.6
103.05477	0.5
105.07005	2.0
107.08560	1.7
109.10126	0.4
115.05425	1.6
116.06201	0.6
116.98595	7.2
117.07006	5.6
119.08545	1.5
121.10140	4.2
128.06218	0.8
130.39001	0.3
131.04913	0.6
133.06464	0.9
134.07257	1.3
134.99622	6.1
135.04381	1.5
135.08026	0.5
138.84282	0.3
139.60873	0.3
143.08597	1.4
144.05734	0.5
145.06462	1.4
147.08031	0.6
147.11688	0.5
147.62175	0.3
149.09631	0.5
149.97238	0.3
153.00702	1.9
158.01231	1.5
161.05930	1.2
161.13219	0.5
162.06731	7.9
171.08118	0.4
175.07510	2.7
176.02257	0.4
177.09073	100.0
203.17912	0.5
209.06465	1.4
221.11710	0.7
221.15535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.2
57.07065	0.3
61.37864	0.1
65.35298	0.1
65.59205	0.2
67.05492	0.3
69.07054	0.2
77.19015	0.2
79.05475	0.4
81.07019	0.9
84.31853	0.2
85.97334	0.2
91.05457	1.4
93.07020	0.9
95.08563	0.3
98.97562	0.7
103.05422	0.3
105.06999	1.1
107.08575	0.4
109.06499	0.2
109.10131	0.3
115.05437	1.5
116.06226	0.7
116.98602	0.6
117.06992	5.7
119.04926	0.3
119.08554	1.1
121.06486	0.3
121.10115	1.5
128.02267	0.2
128.06212	1.3
133.06450	0.8
133.10106	0.3
134.07259	1.0
134.99655	0.3
135.08028	1.0
135.22845	0.2
143.08530	1.3
144.05666	0.4
145.06471	1.5
147.07991	0.4
147.11647	0.4
149.02351	0.3
149.09570	0.4
159.08014	0.2
160.05147	0.3
160.67551	0.2
161.05998	0.2
162.06731	7.5
171.08022	0.7
175.07484	2.6
176.07222	0.3
177.09076	100.0
178.09407	0.3
191.09534	0.2
203.17966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22829	0.3
52.45705	0.2
55.05482	0.4
56.96546	1.4
57.03405	0.4
57.07051	1.6
67.05472	1.3
69.03431	0.9
69.07040	1.2
72.93759	0.4
78.24881	0.3
79.05463	0.7
81.07024	2.0
83.04948	0.5
85.02895	0.3
85.06511	0.5
87.04431	1.7
88.04797	0.4
91.05461	2.4
92.08705	0.6
93.07021	3.0
95.04916	0.3
95.08564	1.9
97.02898	0.3
98.97540	2.1
100.02438	0.4
101.05766	0.3
103.05460	0.4
104.13612	0.3
105.07020	2.9
107.08582	2.2
109.06501	0.4
109.10135	1.3
113.42887	0.3
115.05445	2.2
116.06192	0.7
116.98608	2.3
117.06986	7.0
118.03487	0.3
119.01869	0.4
119.04890	0.3
119.08556	2.2
121.06474	0.5
121.10112	5.0
123.08067	0.3
128.06169	2.3
131.04869	0.5
131.08495	0.3
131.75639	0.3
133.06425	1.3
133.10103	0.7
134.07239	1.6
134.09621	1.5
134.99628	1.7
135.08012	1.3
135.09961	2.9
137.05965	0.5
143.04854	0.4
143.08519	1.4
145.06464	1.3
145.10033	0.4
147.04387	0.7
147.08014	1.2
147.11662	1.8
148.97664	1.3
158.01212	0.3
159.08023	0.3
159.91565	0.3
160.05177	0.4
161.02917	0.3
161.06033	1.0
161.13101	0.4
162.06718	7.6
163.07558	0.4
171.07918	0.4
175.07503	3.7
177.09071	100.0
197.99184	0.3
203.10623	0.4
203.17943	1.9
210.17775	0.3
220.13258	0.3
221.11697	1.2
221.13570	1.8
221.18881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03925	0.8
54.16397	0.5
55.01860	1.7
55.05497	3.2
55.93513	0.7
56.96552	4.1
57.03424	0.7
57.07059	1.7
58.06581	0.8
61.02913	1.0
66.90318	0.6
67.05494	1.8
69.03416	4.0
69.07050	1.1
70.06570	1.6
71.04968	5.4
72.08131	4.6
72.93768	1.6
73.02891	2.8
74.02438	0.7
74.15979	0.6
79.05467	3.6
81.03377	0.8
81.07037	7.7
82.02937	1.1
83.01326	3.5
84.04479	0.8
84.08128	0.9
85.02893	3.0
85.06539	1.1
86.09703	1.1
87.04440	1.1
88.54726	0.7
89.96375	0.8
90.94801	1.2
91.05462	3.5
93.07024	7.9
94.00504	0.6
94.06551	4.2
95.01308	11.4
95.08582	5.5
96.02430	0.7
97.02872	3.2
98.97552	3.9
99.04406	0.8
101.02362	1.8
101.06023	5.6
103.05441	1.7
104.04987	1.1
105.07040	5.9
107.03015	0.7
107.04948	4.5
107.08577	4.1
109.10133	3.6
111.00818	1.3
114.81293	0.8
115.03925	0.9
115.05427	0.9
116.98607	3.8
119.01910	4.0
119.03454	0.9
119.04908	1.7
119.08578	6.8
120.08097	1.2
121.02779	0.8
121.06501	1.1
121.10121	14.7
123.11646	1.0
126.09143	1.4
127.09454	0.8
129.05484	3.8
130.06503	100.0
131.04922	1.4
132.04425	52.0
133.06471	1.0
133.10150	3.8
134.06009	1.0
134.99649	1.3
135.11722	0.9
136.06204	0.8
137.05951	2.9
141.05447	4.6
143.03416	1.3
144.10220	1.4
147.04393	4.2
147.08023	1.4
147.11674	3.2
148.07544	1.5
148.97691	3.5
149.13214	1.0
156.06793	0.9
157.04924	0.9
157.06537	2.1
157.07585	60.5
158.05991	74.2
161.05983	1.1
161.13281	1.2
162.05359	1.3
164.55278	1.4
166.98721	3.1
170.01227	0.9
171.02812	0.9
174.14839	1.1
175.08640	52.0
175.15204	0.9
179.02380	0.9
179.04010	1.0
186.05504	0.8
203.08142	24.2
203.17839	5.8
204.06487	1.1
214.00160	0.8
221.09227	9.6
221.15503	1.4
221.18912	1.2
223.48959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40188	0.6
53.03934	1.5
55.01865	14.1
55.05490	1.6
55.93520	0.7
56.96545	1.8
57.03424	3.9
57.07068	3.3
59.04982	1.8
67.05482	1.2
69.03414	18.2
69.07054	1.3
70.06594	1.8
71.01328	3.4
71.04968	1.7
72.08135	5.4
72.93754	1.3
73.02886	7.4
75.04458	2.0
79.05478	1.9
81.03387	1.5
81.07039	3.6
82.04179	0.9
83.01325	34.4
83.04972	0.9
84.02111	0.7
84.08146	1.5
84.99248	1.7
85.02886	5.1
86.09725	1.1
87.00816	1.6
87.04433	4.3
90.94784	1.2
91.05442	5.8
93.07030	4.9
95.01306	100.0
95.04933	1.0
95.08569	3.6
97.02864	4.5
98.03641	3.0
98.97554	3.3
99.04420	1.7
101.02367	8.2
101.05996	49.0
103.03915	0.9
105.07008	5.0
107.04973	5.8
107.05536	0.7
107.08582	3.7
107.94140	0.8
109.10175	1.2
111.00795	15.2
112.11214	0.8
115.03902	3.9
115.05394	0.9
116.98620	1.8
117.01847	7.1
119.01881	4.9
119.02627	0.8
119.04893	1.5
119.08543	4.4
121.02814	0.9
121.10120	8.7
123.11740	0.9
125.02299	2.0
129.01855	7.7
129.02711	0.7
129.05457	33.1
130.06488	4.0
131.04811	0.8
132.04414	1.9
133.03886	0.8
133.10109	1.4
134.99612	1.0
136.06168	0.9
137.05931	3.6
137.09491	0.9
141.05443	41.6
143.03404	3.8
147.04376	6.6
147.07980	0.9
148.97684	1.9
149.04416	1.8
157.04942	13.8
157.07599	4.9
158.05988	4.8
160.05103	1.0
161.02979	1.1
161.05940	1.2
166.98701	3.4
175.08658	3.4
203.17935	1.5
221.09200	1.7
221.18929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.96550	0.3
58.84289	0.2
63.66774	0.2
67.05486	0.2
69.07058	0.4
73.02887	0.5
75.75600	0.2
81.07027	0.5
91.05415	0.2
92.09266	0.2
97.06529	0.4
102.20320	0.2
107.08595	0.4
109.10092	0.3
118.06526	14.1
119.07293	0.4
123.11685	0.4
125.09602	1.0
132.08081	4.3
133.08884	1.7
134.09607	1.4
144.07910	0.2
146.09634	4.1
149.13219	0.5
160.11197	0.9
162.09114	9.2
167.14290	1.2
176.10747	6.7
176.14317	42.4
177.11478	1.9
185.15302	0.9
189.15112	0.3
190.12254	4.4
191.13013	0.3
202.15904	1.4
204.13847	0.4
215.02138	0.3
220.16940	100.0
227.43163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94169	0.2
56.17198	0.3
57.01973	0.2
57.02932	0.2
61.42326	0.3
70.56226	0.2
72.08119	0.3
78.14818	0.3
78.94201	0.2
81.07011	1.0
82.99834	0.3
92.08682	0.3
93.07014	0.3
95.08569	0.4
101.00850	12.0
105.06994	0.5
107.15655	0.3
113.58280	0.3
118.03439	0.3
119.01895	100.0
120.02000	0.3
121.10117	1.3
124.06138	0.2
137.02928	51.9
139.03333	0.3
142.03467	1.3
143.01892	0.4
143.03578	0.5
148.51399	0.3
160.04501	0.6
161.02917	14.5
161.04568	0.5
179.03976	36.0
202.05666	0.3
203.04002	0.4
221.01630	0.6
221.05014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0656
Annotation	(R)-(Homo)2-citrate
Peak:m/z	Relative Intensity
53.03939	1.1
54.83828	0.9
55.01621	1.8
55.01868	24.8
55.05493	1.9
56.96542	2.3
57.03430	38.3
57.18414	1.0
59.04989	13.4
61.02913	6.2
61.04804	0.9
69.03416	2.7
70.06625	0.9
71.01338	20.9
71.04972	6.7
72.08136	2.4
73.02898	28.1
75.04442	1.7
81.07008	1.3
83.01332	21.0
84.36265	1.1
85.02895	6.1
87.00804	5.1
87.04453	30.6
88.77042	1.1
89.02379	2.6
91.05473	1.6
93.07003	2.2
95.01310	15.8
95.08587	1.3
97.02866	1.7
98.03629	1.2
98.97561	2.3
99.04445	1.6
101.02361	100.0
101.06017	2.6
103.03935	5.9
103.07509	1.0
107.08575	1.3
111.00790	12.7
113.02380	5.5
115.03908	36.4
119.01913	1.9
119.03380	4.2
121.10128	4.5
127.03914	2.4
129.01823	26.1
129.05476	1.2
133.04953	4.1
143.03395	12.9
147.11664	1.4
157.01308	29.5
161.03166	1.0
161.04396	8.9
171.02922	8.5
189.03888	15.6
203.05466	7.2
203.18008	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.05515	1.1
56.74536	0.8
57.07062	10.5
59.04994	9.7
65.03925	0.9
67.05491	11.0
69.03421	1.0
69.07046	6.4
70.02937	12.7
72.04504	23.1
72.08120	1.6
73.02885	2.3
74.02428	1.2
81.07028	3.6
83.04979	1.6
85.06532	16.9
86.06068	1.1
86.09685	2.1
87.04442	4.9
87.08090	1.5
90.05535	100.0
90.45502	0.9
91.05422	1.3
95.04958	10.9
96.08116	4.0
96.45558	0.9
98.02395	25.0
98.06043	9.8
98.97536	1.8
100.03944	2.2
101.94591	1.1
103.07561	9.7
113.05974	5.5
116.03431	16.2
124.07565	27.2
140.10693	5.7
142.08661	10.2
158.11720	13.7
163.37628	0.9
166.08644	1.7
174.11104	1.0
184.09654	16.7
200.26517	1.1
202.10707	23.4
202.14412	1.1
219.17448	1.3
220.11765	36.1
220.15297	2.0
220.17657	1.0
237.20868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1332
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.01849	0.6
55.05489	3.2
56.96546	1.3
57.03428	1.2
58.04966	0.6
59.04985	0.8
59.49298	0.6
62.43147	0.6
67.00019	0.6
67.05485	0.7
69.03406	2.8
69.07050	0.8
72.08122	0.8
72.93776	0.6
73.02879	1.3
79.05460	1.5
81.07037	3.3
83.04961	1.6
85.02878	2.9
85.06497	0.8
87.04452	68.4
91.05462	3.1
92.08699	0.9
93.07059	2.3
97.02882	0.8
98.97561	4.2
101.05943	2.6
103.05441	3.1
105.06998	1.6
107.04935	1.0
107.08572	4.5
107.93920	0.6
110.97568	0.9
116.98619	0.9
117.06952	1.4
118.06538	8.5
119.07282	9.3
121.06426	1.0
121.10100	1.4
125.09581	4.2
128.98599	1.6
131.04884	4.7
131.08566	0.8
134.09631	100.0
136.99974	0.7
139.11147	3.2
145.02834	0.8
149.09598	1.3
167.10710	2.4
183.56354	0.7
185.11693	4.8
194.97333	0.7
219.17464	1.1
220.13293	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31709	0.1
52.79919	0.1
52.94538	0.1
52.97071	0.1
55.05500	0.2
55.79768	0.1
63.10728	0.1
64.33452	0.1
67.05506	0.2
69.07040	0.7
72.34064	0.1
74.34023	0.1
76.49261	0.1
79.05465	0.3
81.07026	0.7
83.04907	0.1
91.05431	0.5
93.06984	0.6
95.04970	0.2
95.08574	0.2
98.97578	0.1
102.80925	0.1
104.00921	0.1
104.04979	0.3
105.03376	0.8
105.07016	0.5
106.07330	0.2
107.08572	0.9
109.10139	0.3
111.08015	0.1
111.09258	0.1
119.08546	0.2
121.06496	0.2
121.10107	0.3
131.08534	0.3
132.04376	1.8
133.02815	0.2
133.10123	0.1
135.08055	0.2
135.11720	0.2
145.10068	0.2
146.10420	0.2
150.05466	2.4
159.11618	0.2
160.03897	0.2
165.29495	0.1
178.04950	100.0
178.38879	0.1
179.05186	0.1
201.16312	0.2
202.16614	0.1
206.04439	11.4
219.17412	0.8
220.06006	16.8
220.17670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0814
Annotation	O-Succinyl-L-homoserine
Peak:m/z	Relative Intensity
53.35447	0.7
54.81250	0.9
55.01856	4.8
55.05498	5.6
56.05021	3.6
57.03426	2.1
57.10824	0.7
57.49358	0.8
60.04518	1.0
61.02911	1.0
64.00643	0.8
67.05494	2.2
68.05016	14.6
69.03410	0.9
69.07039	2.0
70.06589	1.6
71.01320	1.3
71.04981	1.0
72.08135	1.8
73.02879	1.4
73.06528	1.7
79.05491	0.9
81.07040	1.5
82.06561	75.7
83.04935	0.9
84.04487	100.0
84.08121	1.5
85.02889	17.1
85.04800	2.0
85.06524	1.5
87.04448	1.9
90.05533	8.6
91.05470	1.6
93.07016	0.9
95.08567	1.8
96.04474	17.1
96.23085	0.9
97.02852	1.3
101.02346	2.1
102.05505	6.1
105.07007	1.7
107.08575	1.7
110.06020	48.5
110.09660	1.4
112.37100	0.9
114.05510	31.2
119.08591	1.0
121.06442	1.4
128.07051	65.7
130.05013	3.6
131.03381	1.8
138.05473	6.3
138.09062	1.3
142.04977	11.6
156.06525	64.5
156.10155	4.3
160.06052	11.0
174.05956	2.1
174.07568	55.6
174.11200	4.7
184.06018	2.0
184.09578	1.3
209.83301	0.8
219.17360	1.2
220.08119	25.4
220.11719	9.5
220.17686	1.5
243.34906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
85.75147	1.0
91.05460	13.4
93.07008	1.2
103.05447	2.1
103.88482	1.0
105.07015	2.1
107.76070	1.0
108.05623	1.0
114.37381	1.6
115.05405	12.5
116.06219	4.6
117.07024	2.5
128.06200	14.1
129.06978	50.7
130.07765	2.2
131.04895	12.9
131.08539	46.0
137.05952	5.2
141.06970	46.8
143.04895	1.3
143.08528	1.8
144.05676	7.1
145.06468	11.0
146.03571	1.1
146.07204	6.2
147.04492	1.0
157.06444	26.7
157.07632	1.3
158.07231	31.1
159.04366	4.8
159.08015	24.8
160.05156	5.2
161.09596	5.1
162.06677	1.2
168.05609	1.7
168.65065	1.1
169.06387	14.6
170.07220	10.3
173.05962	6.7
173.09566	1.4
174.06726	100.0
175.07494	11.1
178.04994	13.6
186.06708	23.9
187.07478	1.3
188.08322	5.6
189.09062	70.4
191.10645	6.0
201.09087	38.5
219.10121	77.8
220.05971	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
85.75147	1.0
91.05460	13.4
93.07008	1.2
103.05447	2.1
103.88482	1.0
105.07015	2.1
107.76070	1.0
108.05623	1.0
114.37381	1.6
115.05405	12.5
116.06219	4.6
117.07024	2.5
128.06200	14.1
129.06978	50.7
130.07765	2.2
131.04895	12.9
131.08539	46.0
137.05952	5.2
141.06970	46.8
143.04895	1.3
143.08528	1.8
144.05676	7.1
145.06468	11.0
146.03571	1.1
146.07204	6.2
147.04492	1.0
157.06444	26.7
157.07632	1.3
158.07231	31.1
159.04366	4.8
159.08015	24.8
160.05156	5.2
161.09596	5.1
162.06677	1.2
168.05609	1.7
168.65065	1.1
169.06387	14.6
170.07220	10.3
173.05962	6.7
173.09566	1.4
174.06726	100.0
175.07494	11.1
178.04994	13.6
186.06708	23.9
187.07478	1.3
188.08322	5.6
189.09062	70.4
191.10645	6.0
201.09087	38.5
219.10121	77.8
220.05971	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.2529
Annotation	Tetradecylamine
Peak:m/z	Relative Intensity
52.98522	0.6
53.00277	0.6
53.03926	0.8
55.05504	1.2
56.96545	3.2
57.06818	1.0
57.07070	21.2
63.23832	0.8
70.85521	0.8
71.08611	8.2
72.93761	5.1
76.55583	0.8
80.05766	1.1
81.07016	1.2
85.10168	1.9
90.90337	1.6
90.94803	3.8
91.05471	9.3
93.07018	1.0
94.07349	0.9
95.04935	1.9
131.97395	4.3
132.95808	4.8
141.00003	1.2
148.03900	0.8
149.93988	2.9
149.98494	2.9
150.96866	15.0
167.97200	2.0
171.87248	1.0
173.98503	1.8
191.99384	2.0
214.25262	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	218.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25431	0.7
53.00314	0.6
53.39232	0.5
55.05506	2.6
56.05830	0.8
57.03443	0.8
58.54169	0.6
69.07057	89.3
70.02945	0.8
74.02426	7.4
83.04953	2.8
83.08603	0.8
83.87358	0.7
84.05293	1.4
84.08138	7.6
84.14169	0.6
86.02413	4.1
86.09692	57.6
87.00807	13.0
91.73273	0.8
98.02402	3.1
98.97576	7.2
101.05949	1.2
102.06247	0.6
104.03452	74.1
111.04443	3.4
111.08045	0.8
112.04776	1.2
112.07587	21.4
116.03436	12.8
116.98625	6.2
130.08614	4.0
134.99677	1.5
150.43581	0.7
154.08595	17.2
155.06978	1.0
156.07359	1.0
160.44562	0.7
172.09659	100.0
173.08040	1.2
174.08389	0.8
189.06134	0.6
200.09224	1.4
209.06526	0.9
218.10843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67722	39.0
64.25063	40.7
82.66949	39.6
92.09344	50.6
92.88010	44.2
219.02614	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	214.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03771	0.7
55.05496	4.6
56.96554	1.3
57.03430	6.1
65.33479	0.7
66.80680	0.7
67.05479	3.2
69.03407	0.8
69.07055	9.0
71.04961	4.3
71.35385	0.8
72.08134	0.8
72.93759	4.4
75.04462	1.5
75.64586	0.8
79.05459	4.0
81.05782	1.6
81.07019	4.2
82.06552	4.6
90.94800	6.5
91.05440	4.6
93.07000	3.5
94.06558	5.6
95.04955	3.4
95.08582	6.0
96.08118	6.7
97.06522	10.8
98.09624	0.8
98.97573	13.0
105.07027	6.3
107.08572	3.8
108.08091	3.8
108.95835	0.9
109.06508	1.3
109.10151	1.7
109.67184	0.8
110.06039	1.9
110.09657	5.0
110.37784	0.8
111.06798	1.0
113.59625	0.7
116.98592	6.2
119.08548	3.6
120.08057	1.8
121.06448	1.1
121.08884	1.3
122.09641	8.1
123.06789	5.3
123.08019	4.8
123.11725	1.0
124.07572	99.4
124.11215	1.1
125.08375	1.1
125.45303	0.8
126.09184	5.6
128.98627	0.8
131.08562	1.1
132.95787	5.9
133.10095	4.2
134.99643	1.4
135.10393	1.7
135.11688	1.8
136.07507	1.1
136.11185	11.6
137.09586	1.8
138.09123	100.0
140.10712	9.6
145.08849	1.9
145.09985	0.8
149.08302	1.5
149.96117	4.3
150.09157	0.9
150.11623	1.4
150.12773	39.0
150.96867	14.3
151.11101	1.1
152.10654	6.3
158.99603	1.8
160.11179	1.7
161.09604	1.8
167.97144	3.7
168.97995	1.0
177.00679	2.0
178.12233	32.9
179.10629	4.3
184.13963	0.8
191.97083	4.1
196.13312	13.6
205.02306	0.8
209.98213	1.5
214.14352	85.4
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
53.00286	1.4
55.01846	5.9
55.05505	48.4
56.96552	2.5
57.03439	2.0
57.07061	9.5
59.04980	3.2
64.33437	1.1
67.05491	16.2
69.07053	100.0
71.04962	8.6
72.93766	6.9
79.05489	9.7
81.07035	47.2
83.04969	9.6
83.08611	14.1
85.02855	1.2
85.06527	20.7
88.07609	13.9
90.94807	5.8
91.05456	3.4
92.08665	1.3
93.07023	24.9
95.04940	1.5
95.08583	59.4
97.06506	9.3
97.10151	14.3
99.08070	20.0
105.06998	5.4
107.04947	2.8
107.08576	33.0
108.95823	1.9
109.10139	20.3
111.08075	6.4
111.11732	5.0
113.09615	9.8
121.10120	35.3
123.11691	6.2
125.09641	5.4
135.11676	25.8
137.13274	12.4
139.11148	8.2
143.08542	1.7
148.97340	7.4
149.13260	2.6
149.96086	1.5
153.12717	7.2
159.11647	2.6
167.97098	3.3
171.83966	1.6
172.97644	1.7
177.12715	5.7
177.14865	2.4
177.16360	39.2
195.13684	1.6
195.17426	9.1
213.18419	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	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
51.55075	1.0
53.03931	1.7
55.01864	17.0
55.05507	90.7
57.03409	1.5
59.04987	1.7
60.95723	1.1
64.19507	1.2
66.52923	1.4
67.05494	32.2
68.50403	1.3
69.03399	6.7
69.07057	18.2
71.04980	67.9
79.05469	23.7
81.03309	1.4
81.07037	37.2
83.04964	8.7
83.08611	64.1
85.06512	7.3
87.04441	9.1
88.07561	2.5
90.05569	1.3
90.78514	1.4
91.05461	10.1
93.06571	1.3
93.07034	20.8
95.08578	12.6
97.06515	88.9
97.10154	73.0
101.09644	2.1
105.06995	6.0
107.08585	24.8
109.06470	1.7
109.10124	10.4
111.08043	2.7
117.06991	3.1
119.08545	1.7
120.25272	1.3
121.10104	2.0
125.09610	39.0
131.08524	5.9
133.10118	2.9
135.08087	6.5
135.11656	5.8
147.11736	1.4
149.13208	3.1
153.09021	2.1
159.11670	6.8
177.12689	5.8
189.11172	6.9
195.13757	30.1
213.14819	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03916	2.1
54.50037	1.4
55.01860	2.2
55.05505	27.4
57.03422	16.8
57.07071	8.1
57.72808	1.3
65.03928	1.7
67.05141	2.9
67.05492	70.5
69.07045	28.0
71.04970	6.9
73.02905	1.5
74.03822	1.5
79.05009	2.5
79.05470	51.5
79.05907	2.9
81.03403	1.9
81.07035	100.0
83.04970	12.6
83.08601	15.9
85.06532	3.5
87.70837	1.8
88.07610	2.6
91.05456	25.1
92.08713	3.4
93.07021	64.0
95.04956	9.2
95.08582	28.1
97.06511	13.9
105.07030	8.3
105.98357	1.4
107.08577	34.9
109.06483	2.2
111.04424	20.0
111.08051	6.6
115.36324	1.4
117.07019	8.6
121.06425	1.6
121.10096	16.4
125.05970	7.7
131.08572	11.7
133.10141	12.1
135.08000	3.5
135.11647	12.8
145.10144	1.7
149.13239	30.3
159.11642	13.0
163.11241	2.5
177.12761	2.6
181.12201	6.0
195.13808	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	213.1485
Annotation	MKN-003B
Peak:m/z	Relative Intensity
52.81150	0.3
53.00306	0.4
53.03939	2.1
53.68669	0.3
54.04461	0.4
55.01860	5.0
55.05506	22.1
56.96574	0.7
57.03430	21.9
57.07068	5.5
65.03928	2.6
67.05493	75.1
69.07056	29.8
71.01333	1.1
71.04974	6.2
71.08614	1.9
73.02872	0.4
77.44454	0.4
79.05476	43.8
81.03398	1.9
81.07040	100.0
83.04965	15.2
83.08607	16.2
85.06531	4.2
85.10181	0.5
88.07600	1.0
91.05460	23.8
93.07024	74.0
95.04944	6.3
95.08584	24.2
97.06504	13.9
97.10152	2.4
99.08080	2.6
103.24834	0.5
103.69414	0.5
105.04519	0.8
105.07024	8.2
105.77421	0.5
107.08576	34.7
108.70863	0.5
109.06515	3.0
109.10129	2.9
111.08076	7.1
113.09640	1.0
117.07011	9.8
119.08565	0.8
121.10121	18.5
125.09666	0.5
125.22139	0.4
129.07033	0.8
131.08545	11.6
133.10109	7.3
135.08052	2.5
135.11671	9.7
139.11163	1.7
142.37357	0.5
144.09306	0.6
147.11687	0.9
149.13239	38.3
156.89406	0.4
157.10091	0.4
159.11665	17.2
159.12935	0.8
165.86217	0.4
177.12706	7.6
177.13924	0.5
195.13777	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.71569	1.8
53.03931	2.8
54.05266	1.7
54.46197	1.7
55.01852	3.4
55.05508	34.5
56.96545	10.1
57.03428	21.8
57.07064	8.3
66.29594	1.7
67.05146	3.7
67.05492	86.4
69.07056	34.1
70.06564	3.1
71.04965	4.8
79.05475	48.3
81.07041	100.0
83.04951	13.6
83.08591	17.6
85.06482	2.4
88.07607	29.6
90.17094	1.8
91.05465	24.3
93.07024	74.1
95.04935	8.3
95.08585	34.3
97.06506	13.9
103.93191	1.9
105.07010	9.7
107.08585	30.2
109.06512	2.4
111.08021	4.8
116.97195	2.2
117.06966	10.3
119.08627	2.5
121.10130	14.0
122.75478	2.2
131.08534	12.7
133.10081	12.6
135.11642	13.1
149.13239	33.7
159.11638	16.7
177.12663	4.7
195.13858	4.2
202.63879	2.0
211.08173	2.3
213.16141	4.3
226.56525	2.3
232.59126	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.54258	0.6
53.00307	0.6
53.03929	3.6
53.57302	0.6
55.01863	1.8
55.05506	25.2
56.96571	0.8
57.03424	9.3
57.07059	3.2
63.37599	0.7
64.33086	0.7
65.03918	1.2
67.05492	71.0
69.07056	24.0
71.04987	8.9
72.93790	0.9
79.05476	40.0
81.03406	0.8
81.07039	100.0
83.04957	5.2
83.08604	14.6
85.06526	2.8
88.07609	3.5
91.05463	24.7
92.63416	1.0
93.07024	54.1
95.04942	6.0
95.08585	25.0
97.06516	9.9
105.07008	9.6
107.08577	28.2
108.32576	0.8
109.06457	1.6
109.10143	1.7
111.08061	5.3
117.06989	8.1
119.08598	3.2
121.06442	0.8
121.10107	12.3
123.11716	6.3
124.33817	0.7
131.08560	10.9
133.10118	13.8
135.08003	1.1
135.11665	9.7
147.11641	0.7
149.13232	19.0
159.11679	13.0
177.12694	4.5
195.13751	9.3
229.61026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03939	1.7
53.24914	0.6
61.02924	9.1
63.19802	0.7
65.03639	0.7
65.03936	7.1
67.05506	3.3
70.06570	0.9
75.18359	0.7
79.05482	20.9
88.07594	1.0
91.05473	4.4
93.03384	8.5
95.04943	4.8
100.52912	0.9
105.03371	3.5
105.04501	0.9
107.04951	27.7
108.02111	3.2
108.34230	0.7
109.02850	1.7
110.03658	26.4
111.04427	16.3
117.03303	1.2
119.04939	1.2
121.06486	9.7
122.03642	8.0
123.04353	0.9
125.05051	1.4
125.05981	42.6
125.61126	0.7
130.96317	1.7
131.29115	0.8
133.02843	14.7
135.03386	0.8
135.04414	22.4
137.05971	5.1
141.05447	7.7
148.97337	5.8
149.05983	15.0
150.03099	13.8
151.03906	100.0
151.05034	13.3
153.05449	8.7
163.03841	5.8
165.05450	30.5
167.07033	10.5
177.05444	15.3
195.06563	9.0
213.07529	8.4
223.60066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03919	1.4
55.01861	2.4
55.05506	27.5
56.96551	2.1
57.03426	10.1
57.07069	2.1
61.67719	0.8
67.05492	71.3
68.39182	1.0
69.07057	23.9
71.04984	7.3
72.57184	0.9
76.34446	0.9
79.05477	49.9
81.03410	2.2
81.07039	100.0
83.04972	7.8
83.08601	13.5
85.06523	1.6
88.07616	7.5
91.05460	24.6
91.78854	1.1
93.07023	57.0
94.01888	1.1
95.04936	7.4
95.08588	27.9
97.06499	9.7
97.10175	1.2
99.08128	1.0
105.07024	10.7
107.08584	28.1
109.06530	1.0
109.10111	1.9
111.08075	4.6
117.07014	7.3
118.45347	1.0
121.10148	9.7
123.11700	2.2
129.07001	1.0
131.08560	11.3
133.10092	9.6
135.08020	1.3
135.11678	10.4
137.05969	1.5
149.13268	19.8
149.61668	1.1
151.11119	1.4
159.11629	10.5
167.83492	1.2
167.97266	1.1
177.12762	5.5
179.00189	1.3
195.13855	5.3
197.01216	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	212.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01866	1.8
57.03428	8.8
59.04985	2.0
60.00578	1.2
61.02913	52.3
68.68491	1.0
69.03412	19.6
70.93269	1.1
71.04977	10.3
73.02899	22.3
76.65666	1.1
81.03397	100.0
85.02888	67.9
87.04456	2.5
91.03936	44.5
97.02867	21.8
99.04435	9.5
101.02366	1.5
109.02859	87.2
113.06010	1.4
115.03920	2.4
123.64717	1.3
127.03883	29.8
131.07048	1.6
132.07930	1.5
132.21204	1.2
141.05467	1.7
145.04968	17.7
152.07063	1.6
163.05972	18.7
188.12473	1.3
195.08589	10.4
217.09660	1.5
222.10237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
61.02926	7.0
61.72023	0.7
65.03920	6.9
67.05489	4.5
79.05478	20.4
81.03397	0.7
88.07622	1.2
89.03928	1.3
91.05466	4.1
93.03387	7.7
95.04951	5.2
105.03371	3.6
107.04939	29.9
107.05628	1.5
108.02087	1.7
109.02856	1.8
110.03652	25.1
111.04439	13.5
117.03357	1.3
121.06486	10.0
122.03646	7.6
124.05180	0.8
125.05972	39.4
130.96292	1.1
133.02826	12.8
135.04398	24.9
137.05956	5.7
141.05475	5.8
148.97365	5.0
149.05960	16.0
150.03101	13.5
151.03896	100.0
151.05019	13.0
153.05423	8.8
162.03096	1.6
163.03912	6.5
165.05440	32.0
167.06969	10.6
177.05440	16.1
195.06482	8.5
211.68123	0.8
213.07478	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	212.0917
Annotation	CJ 14877
Peak:m/z	Relative Intensity
51.50156	0.3
54.81701	0.3
55.60566	0.3
56.96578	0.5
57.02569	0.3
69.41283	0.3
70.06547	0.4
71.05007	0.5
80.34340	0.3
81.03394	3.7
85.02881	0.6
96.08119	0.4
106.20749	0.4
109.02847	3.0
120.08103	0.7
121.06520	0.5
123.06802	0.5
124.07587	1.5
127.03931	0.6
134.05995	22.6
136.07591	4.1
137.08354	2.4
138.05470	1.5
138.09177	0.4
148.07561	7.1
149.05954	0.6
152.07047	43.1
153.05437	0.5
164.53163	0.4
166.08600	43.9
176.07034	9.2
194.08096	100.0
212.09132	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03918	2.0
54.81776	2.0
55.05507	31.2
56.96556	32.0
57.03419	9.8
57.07067	4.0
59.04982	9.3
67.05490	38.1
67.57751	1.7
69.03397	5.0
69.06733	1.6
69.07051	45.7
71.04974	43.0
73.06535	1.7
79.04527	1.5
79.05482	23.0
81.03409	11.2
81.07037	54.5
83.04966	10.4
83.08600	21.1
84.96008	3.5
85.06528	9.7
91.05447	15.6
93.07024	38.6
94.82903	1.4
95.04947	9.3
95.08581	100.0
96.04476	1.6
97.06497	29.8
97.99155	3.4
99.04430	18.3
99.08093	6.5
101.06002	2.0
105.07003	26.2
107.08584	41.8
109.02891	1.5
109.06501	10.3
109.10143	41.5
111.08056	8.1
115.07572	16.4
116.00217	2.8
119.08566	37.0
121.10098	17.6
123.08042	19.3
123.11690	33.3
125.09647	2.8
131.08540	2.7
133.06516	1.6
133.10104	48.3
135.11671	54.0
137.05981	2.8
137.09637	12.5
137.13217	2.3
139.11226	1.9
141.12747	2.0
147.11687	10.4
149.13252	11.9
151.11151	1.9
153.12747	9.7
156.04204	2.6
163.14734	5.6
165.12653	1.9
175.11198	1.9
175.14789	39.2
189.89740	1.7
193.12177	2.6
193.15869	25.3
211.13327	1.5
211.16910	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.7
56.96558	11.7
57.07066	1.5
59.04993	4.1
65.03921	1.6
67.05492	30.8
69.03417	1.1
69.07054	11.4
71.01294	0.9
71.04969	5.5
72.08133	5.6
79.05492	11.8
81.03407	3.6
81.07045	20.7
83.04951	6.4
83.08589	2.0
84.96011	1.3
85.02897	1.4
85.06522	6.0
91.05463	17.9
92.08488	0.9
93.07029	27.9
95.04951	79.9
95.07999	1.8
95.08583	33.4
97.06526	3.7
97.99128	1.5
99.04448	1.7
99.08074	100.0
101.06014	1.2
103.05415	1.0
105.07021	23.1
105.86575	0.9
107.08585	32.9
109.02847	1.2
109.06493	4.0
109.10152	33.5
111.08012	1.4
113.09616	2.1
117.06946	3.5
118.07803	1.2
119.08549	36.6
121.06384	1.2
121.10107	8.5
123.08001	1.8
123.11672	3.6
131.08522	4.2
133.10110	93.6
135.11685	20.1
137.05963	1.6
137.09610	34.6
137.10591	1.3
145.10089	1.1
147.11678	5.8
149.02325	10.6
149.13239	4.1
151.11153	1.0
155.10655	10.6
161.02373	0.9
168.80800	1.2
174.21652	1.0
175.11124	3.9
175.14786	13.5
193.04938	2.0
193.12123	1.5
193.15869	16.5
205.10959	0.9
211.16959	15.8
215.06857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.7
56.96558	11.7
57.07066	1.5
59.04993	4.1
65.03921	1.6
67.05492	30.8
69.03417	1.1
69.07054	11.4
71.01294	0.9
71.04969	5.5
72.08133	5.6
79.05492	11.8
81.03407	3.6
81.07045	20.7
83.04951	6.4
83.08589	2.0
84.96011	1.3
85.02897	1.4
85.06522	6.0
91.05463	17.9
92.08488	0.9
93.07029	27.9
95.04951	79.9
95.07999	1.8
95.08583	33.4
97.06526	3.7
97.99128	1.5
99.04448	1.7
99.08074	100.0
101.06014	1.2
103.05415	1.0
105.07021	23.1
105.86575	0.9
107.08585	32.9
109.02847	1.2
109.06493	4.0
109.10152	33.5
111.08012	1.4
113.09616	2.1
117.06946	3.5
118.07803	1.2
119.08549	36.6
121.06384	1.2
121.10107	8.5
123.08001	1.8
123.11672	3.6
131.08522	4.2
133.10110	93.6
135.11685	20.1
137.05963	1.6
137.09610	34.6
137.10591	1.3
145.10089	1.1
147.11678	5.8
149.02325	10.6
149.13239	4.1
151.11153	1.0
155.10655	10.6
161.02373	0.9
168.80800	1.2
174.21652	1.0
175.11124	3.9
175.14786	13.5
193.04938	2.0
193.12123	1.5
193.15869	16.5
205.10959	0.9
211.16959	15.8
215.06857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03938	5.4
55.01864	4.0
55.05503	61.3
57.03427	5.3
67.05493	36.3
69.03386	9.2
69.07050	11.7
71.04980	5.0
79.05470	47.6
81.03397	100.0
81.07037	54.0
81.42915	2.5
83.04964	69.1
83.08605	26.5
91.05458	36.3
93.07016	25.4
95.04932	32.5
95.08594	19.9
97.02904	4.0
97.06534	4.1
97.10151	4.9
102.76913	2.5
105.07001	34.6
107.04929	4.7
107.08614	5.2
109.06485	2.6
111.08054	5.9
119.08562	20.8
121.10141	5.3
123.08006	2.8
129.06979	13.7
131.08553	14.6
133.10077	13.3
141.79338	2.4
147.11635	12.0
149.09569	5.5
157.10123	18.4
157.11220	2.4
175.11096	19.6
193.12209	38.4
211.13228	22.3
215.87025	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03927	5.2
54.58360	3.2
55.01859	4.5
55.05503	54.4
55.66047	2.6
56.96287	3.3
56.96555	78.3
57.03424	5.2
64.80593	2.8
67.05488	37.1
69.03426	6.6
69.07054	7.3
71.04977	5.1
79.05471	33.7
81.02936	4.7
81.03399	100.0
81.07040	45.6
83.04521	4.3
83.04965	65.9
83.08610	34.5
84.96009	12.7
91.05449	37.2
93.07011	17.8
95.04963	24.1
95.05466	3.4
95.08585	18.7
97.99185	5.4
105.07018	26.0
107.08578	6.1
109.06470	5.6
109.10104	3.6
111.08035	5.6
113.22768	2.9
115.98033	3.4
116.00190	17.0
119.08553	19.9
120.49551	3.7
121.10091	4.4
123.08057	3.8
129.06981	14.2
131.08549	12.3
132.93729	3.0
133.10135	12.2
141.79608	3.7
147.11662	18.1
149.09552	4.3
157.10083	12.6
175.11162	6.5
193.12245	30.7
211.13240	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03940	4.1
55.01864	8.8
55.05504	66.7
57.03426	12.6
67.05490	35.4
69.03413	10.7
69.07065	18.1
69.07376	2.1
69.74635	2.2
71.04959	3.5
79.05480	42.9
81.03403	100.0
81.07040	52.6
83.04520	4.3
83.04967	71.2
83.08601	33.3
85.02888	4.2
91.05462	39.4
93.07020	16.4
95.04950	30.4
95.08588	13.0
97.02907	3.1
97.06519	3.3
97.10181	4.0
102.10378	2.5
105.07015	27.3
107.04970	4.2
107.08572	5.1
109.06519	3.9
111.08086	3.4
117.06922	2.7
119.08573	21.8
121.06506	2.6
121.10159	4.6
129.07008	11.0
131.08569	10.8
133.06461	3.1
133.10129	9.0
141.90524	2.6
147.08003	2.6
147.11668	9.7
149.09662	3.8
157.10152	13.4
159.98048	3.0
160.75095	2.4
165.12828	2.9
175.11182	14.7
193.12228	33.2
211.13226	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.77274	2.0
51.27840	2.3
53.03939	3.2
53.73565	2.4
55.01867	6.7
55.05263	4.4
55.05508	67.5
56.96549	2.9
57.03426	12.3
67.05496	36.6
67.80373	2.5
69.03408	11.4
69.07052	16.0
69.38953	2.4
71.04983	4.5
77.93666	3.1
79.05480	39.2
81.03399	100.0
81.07045	45.6
83.04972	68.9
83.08604	30.8
85.02937	2.6
88.98180	2.5
91.05471	50.9
93.07001	25.0
93.61467	2.8
95.04936	37.2
95.08606	18.5
97.06520	4.1
97.10159	4.3
105.07030	27.1
107.04953	11.2
107.08594	5.0
109.06485	4.3
111.08057	9.8
119.08570	17.2
121.10176	5.9
123.08054	4.3
129.06979	12.0
131.08582	14.0
133.10115	11.9
142.07793	3.8
147.08095	3.8
147.11664	6.7
149.09648	5.9
157.10086	15.6
162.69930	3.0
175.11128	11.4
193.12210	38.9
211.13332	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03947	3.9
55.01863	10.3
55.05507	69.1
55.66950	2.4
56.42346	2.1
56.96547	4.2
57.03421	20.3
57.46922	2.3
65.03945	2.8
65.74496	2.3
67.05488	44.4
67.74821	2.1
69.03417	10.8
69.07051	15.2
71.04966	10.7
77.01898	2.4
77.22225	2.4
79.05482	38.6
81.02933	4.5
81.03403	100.0
81.07047	57.0
83.04965	75.5
83.08593	28.8
91.05466	54.7
93.07030	26.4
95.04939	34.6
95.08586	23.0
97.02827	3.7
97.06535	4.9
97.10154	3.7
105.07031	33.1
107.04926	4.7
107.08578	5.1
109.06506	5.9
111.08085	5.7
113.05875	2.3
119.08578	22.9
121.10114	10.7
129.06993	11.6
131.08537	14.0
132.06819	2.2
133.10109	14.1
138.03540	2.5
142.07809	4.4
147.11671	9.8
149.09647	5.8
157.10080	11.6
175.11169	12.7
193.12177	35.7
211.13266	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.00306	1.1
54.81666	1.2
55.01850	1.3
55.05502	10.4
57.07058	4.7
61.24658	0.8
63.75730	0.8
65.03909	1.1
67.05482	5.8
69.03405	6.9
69.07054	26.8
71.04948	0.9
73.50535	0.9
79.05471	21.5
81.07034	20.1
83.04948	5.6
83.08602	4.4
91.05456	30.4
93.07018	41.0
95.04940	5.8
95.08581	19.3
97.06515	2.2
105.07008	57.8
107.04928	1.3
107.08572	100.0
108.53188	1.0
109.06487	9.1
109.10134	2.2
115.05447	1.3
116.06167	1.1
117.07001	8.0
119.08550	65.7
121.06450	7.1
121.10113	47.0
123.08051	4.8
123.11687	4.4
129.07002	2.1
130.07719	1.6
131.08539	31.2
133.10097	26.1
135.08035	18.2
135.11647	14.1
143.08546	6.6
144.09328	1.5
145.10097	17.0
147.08054	1.9
147.11664	48.9
149.09569	10.2
149.13257	11.7
158.10834	8.1
161.13203	47.5
163.14758	20.5
165.12740	1.9
173.13210	28.9
173.14566	1.2
179.14262	11.8
191.14270	47.6
209.15311	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	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67822	0.6
56.96285	0.8
56.96557	19.9
57.03419	0.7
58.52566	0.5
61.20409	0.7
67.05482	1.2
68.52854	0.6
69.03409	0.8
79.05488	1.4
84.96015	4.2
91.05453	1.4
94.04182	6.6
95.04949	0.9
97.06494	1.1
97.99178	3.2
98.97577	2.6
105.07007	0.8
107.04926	1.1
107.08585	0.7
109.10200	0.9
116.00209	3.6
119.04903	1.0
119.08503	0.9
121.02866	1.2
122.03622	18.9
133.15042	0.7
134.01277	0.7
134.99646	0.8
135.11693	0.8
137.05959	100.0
139.14313	0.7
143.58675	0.8
147.04401	1.6
175.37184	0.8
193.08519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.55136	1.1
51.44038	1.0
53.03935	5.1
55.01863	2.1
55.05505	36.5
56.96554	6.0
57.03426	2.7
57.07058	5.7
59.04992	1.9
65.03937	2.3
67.05491	16.4
69.03416	11.7
69.07060	26.4
71.04968	11.3
71.76818	1.2
75.73256	1.1
79.05473	29.0
81.03400	39.8
81.07035	40.9
83.04964	25.1
83.08613	11.9
85.06526	2.1
91.05453	30.1
93.07027	44.9
95.04950	69.8
95.08572	22.3
97.02911	1.8
97.06482	3.3
97.10117	2.3
99.04428	6.6
103.05481	1.5
105.07016	61.0
107.04926	2.5
107.08577	100.0
109.02895	1.5
109.06513	17.8
109.10129	13.4
111.08037	2.5
115.85325	1.4
116.06271	1.6
117.07003	9.9
119.00134	1.4
119.07721	1.8
119.08563	50.9
121.06471	9.1
121.10122	43.7
123.08052	6.6
123.11687	10.4
125.09610	7.1
127.11182	9.1
129.06992	3.1
130.07680	1.3
131.08534	30.0
133.10117	41.0
135.08034	14.3
135.11707	9.4
143.08533	2.6
145.10130	15.6
147.08089	1.9
147.11667	33.3
149.02341	3.3
149.09625	13.9
149.13226	13.4
151.11137	7.5
153.09129	6.8
158.10919	10.0
161.13176	20.5
163.11159	2.8
163.14789	25.3
167.14279	8.6
173.13242	26.5
179.14282	6.4
191.14279	40.9
193.05006	1.6
209.11662	2.0
209.15340	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	1.1
55.01853	1.2
55.05507	21.1
56.98309	1.0
57.03434	1.2
57.07072	2.3
59.04998	1.3
64.33195	1.3
67.05482	7.1
69.03418	6.8
69.07057	28.9
71.04966	2.5
71.79345	1.1
79.05479	20.1
81.07040	16.4
83.04971	13.5
83.08604	9.4
85.06551	1.6
91.05467	23.6
93.07030	37.6
95.04942	21.0
95.08587	17.1
96.26999	1.1
97.06495	2.1
99.04430	1.5
105.07014	44.9
107.04927	2.2
107.08581	100.0
109.06520	6.8
109.10133	6.9
111.08060	4.4
117.06993	6.8
119.08562	53.2
121.06505	7.5
121.10130	41.1
123.08058	5.3
123.11700	1.8
125.09563	2.4
129.06975	2.4
131.08539	33.7
133.10107	33.9
135.08025	16.6
135.11682	12.4
143.08539	7.1
145.10121	12.8
147.11685	14.3
149.09608	15.7
149.13280	12.8
151.11183	7.7
153.09061	2.1
158.10909	6.7
161.09526	1.4
161.11894	2.1
161.13239	53.2
163.11160	5.9
163.14792	15.5
167.14326	2.8
173.13220	22.1
179.14296	9.7
191.14281	48.6
198.29666	1.2
209.15335	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	1.6
55.01851	1.7
55.05502	17.8
57.03428	6.7
57.07047	1.4
59.04982	2.5
62.59169	0.9
67.05491	11.7
69.03426	2.7
69.07063	10.0
71.04966	6.0
73.52636	1.0
79.05470	18.6
81.03381	2.2
81.07045	36.2
83.04963	8.0
83.08591	10.9
85.06551	1.7
85.94399	1.1
91.05459	18.0
93.07005	21.5
95.04951	51.5
95.08601	10.5
97.06509	23.4
99.04421	7.5
105.07012	31.0
107.08580	24.0
107.11127	1.1
109.06503	100.0
109.10151	18.6
111.08082	2.8
115.23605	1.2
117.06998	5.2
119.08565	16.7
121.06482	4.8
121.10107	17.8
123.08049	11.0
123.11693	4.5
125.09595	2.1
131.08562	21.2
133.10112	54.4
135.08009	10.5
135.11688	2.4
143.08549	2.9
145.10124	10.0
147.11668	13.8
149.09610	2.7
149.13239	6.5
151.11150	2.6
153.09085	15.9
158.10889	8.6
161.13222	8.3
163.14772	2.8
165.12750	5.0
167.14264	1.7
173.09595	1.1
173.13213	20.2
191.14275	22.0
204.66148	1.4
209.15323	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03956	0.8
55.05506	22.5
57.03428	1.4
59.05003	0.5
60.60770	0.5
62.95903	0.5
67.05489	3.9
69.03420	2.3
69.07032	2.1
71.04977	6.2
72.08150	0.6
77.59183	0.5
79.05479	2.7
81.03395	1.4
81.07040	6.7
83.04967	10.9
83.08600	9.4
85.06535	2.3
87.75269	0.5
91.05457	3.8
93.07011	5.5
95.04947	100.0
95.08582	2.3
97.06521	3.3
97.10121	0.8
99.04430	11.7
105.07008	5.3
107.08575	8.9
109.06512	6.8
109.10143	5.4
110.53394	0.5
111.08050	3.4
113.27119	0.5
117.07015	0.8
119.08566	3.1
121.10139	3.4
123.08032	0.9
123.11716	1.3
125.09602	1.1
131.08582	2.9
133.10107	9.0
135.08038	1.2
135.11699	1.0
145.10126	3.6
149.09674	0.6
149.13228	2.4
151.11180	6.8
153.09077	17.7
153.10205	1.0
163.07590	0.8
163.14781	1.1
167.14287	8.3
173.13260	3.4
187.56473	0.6
191.10648	1.3
191.14330	4.3
194.02107	1.2
209.04457	1.1
209.15355	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	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.91875	1.0
53.03925	1.2
55.01871	1.8
55.05507	100.0
57.03442	1.6
57.07061	1.9
57.35125	1.0
59.04988	1.6
67.05496	14.3
69.03414	8.6
69.07050	7.7
71.04977	7.6
74.02508	1.0
79.05466	6.9
81.03396	2.7
81.07034	15.0
81.62726	1.1
83.04971	61.9
83.08602	33.8
85.06524	2.1
87.95513	1.0
91.05476	5.1
92.08698	2.3
93.07024	12.6
95.04335	1.6
95.04951	50.1
95.08607	10.6
97.06502	8.6
97.10151	9.9
99.04453	6.0
99.08061	1.6
105.07020	7.8
107.08577	21.3
109.06522	5.4
109.10143	19.3
111.08078	10.4
119.08574	1.5
121.10142	10.6
123.08048	7.9
123.11719	10.2
125.09633	8.6
125.10432	1.3
131.08566	5.1
133.10100	10.4
135.08063	1.7
135.11652	1.4
144.29535	1.2
145.10164	2.4
147.11667	1.9
149.09662	1.7
149.13263	4.9
151.11169	29.2
153.09065	9.7
167.14288	51.6
173.13338	2.8
182.37729	1.3
191.14325	2.6
209.15369	30.9
212.71274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.00313	0.8
53.03913	2.6
55.01861	1.6
55.05504	94.4
56.96558	1.9
57.03421	4.1
57.07060	4.4
59.04985	2.3
61.73265	0.9
65.03954	0.9
65.58512	0.8
67.05495	15.0
67.55395	0.7
69.03414	36.4
69.06260	0.8
69.07052	16.7
70.14911	0.7
71.04971	10.7
79.05472	15.5
81.03395	10.5
81.07037	25.0
83.04964	44.1
83.08603	38.9
85.02890	1.7
85.06516	8.0
91.05459	18.2
93.07022	58.3
95.04946	75.9
95.08583	16.4
97.06538	7.8
97.10153	9.9
98.97537	1.5
99.04432	8.9
103.05448	3.8
105.07014	17.9
107.04935	1.4
107.08572	48.3
109.02866	1.6
109.06493	19.9
109.10136	20.8
111.04406	1.4
111.08056	12.6
113.06002	1.8
113.09622	1.5
117.06980	1.4
119.08533	8.8
121.06496	1.5
121.10121	100.0
123.08045	4.6
123.11679	11.5
125.09610	10.8
130.07742	1.3
131.08543	6.2
133.10095	14.1
135.08028	6.6
135.11636	7.6
137.09697	1.0
145.06445	0.9
145.09079	0.9
145.10063	7.2
147.11664	2.0
149.09608	4.5
149.13237	7.8
151.11163	30.9
153.09077	12.3
158.10895	1.5
163.07529	1.8
163.11177	3.8
163.14787	16.4
166.02618	1.1
167.07146	1.1
167.14279	34.0
173.13268	9.3
191.10619	4.2
191.14294	18.1
194.02126	5.3
209.04477	4.7
209.11650	1.4
209.15326	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.51236	1.9
52.51207	1.6
53.00290	2.6
53.03942	3.7
55.01856	4.1
55.05507	55.4
56.96550	4.9
57.03428	4.7
57.07067	7.3
59.04981	2.3
61.02923	2.7
65.03910	2.6
66.84034	1.7
67.05492	17.0
69.03419	100.0
69.07049	13.1
71.04967	12.8
75.90483	1.8
78.09081	1.9
79.05470	25.9
81.03406	21.5
81.07036	51.9
83.04976	33.1
83.08601	23.7
85.02879	9.5
85.06528	11.7
91.05457	29.5
92.09257	2.8
93.07023	49.7
95.04948	92.7
95.08585	16.0
97.06516	15.9
97.10119	4.9
98.97582	3.2
99.04456	10.4
105.07018	40.2
107.04940	7.6
107.08580	48.1
109.06505	71.1
109.10149	25.9
111.08066	8.9
113.05990	4.6
116.98659	2.4
117.06987	4.0
119.08566	17.1
121.06474	3.3
121.10123	57.4
123.08049	10.3
123.11701	13.6
125.09616	10.3
128.06221	2.0
129.07011	2.1
131.08542	23.0
133.10101	54.9
135.04385	2.5
135.08055	14.1
135.11685	9.9
143.08591	2.7
145.10135	11.4
147.11642	7.7
149.02315	2.3
149.09586	21.0
149.13249	10.1
151.11176	21.2
153.09076	21.4
158.10915	9.0
163.03934	4.1
163.11185	3.8
163.14822	8.4
163.97665	2.5
167.14307	17.8
173.09578	2.7
173.13234	19.2
191.10663	8.9
191.14282	33.1
209.04414	4.0
209.15331	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03930	2.4
53.80169	1.1
55.05505	100.0
57.03429	5.1
57.07047	1.4
58.04291	1.1
59.04991	1.9
67.05495	8.4
69.03410	6.7
69.07056	6.9
69.54901	1.4
71.04974	6.2
79.05478	7.2
81.03420	2.4
81.07043	15.7
83.04966	67.3
83.08598	38.0
85.06512	4.7
90.06413	1.4
91.05460	5.2
93.07022	8.3
95.04945	28.1
95.08575	9.1
97.06519	8.5
97.10156	6.2
99.04430	5.9
105.06992	9.1
107.08582	23.6
109.06504	13.1
109.10147	24.7
111.08074	15.3
119.08550	2.6
121.10094	13.9
123.08058	1.3
123.11660	10.9
125.09611	14.1
131.08571	5.5
133.10136	13.2
135.08046	1.7
137.09593	1.6
145.10127	2.4
149.13272	5.4
151.11163	33.4
153.09108	7.0
159.01936	1.3
163.14838	1.5
167.14287	58.2
173.13205	2.2
180.62515	1.3
191.14265	7.4
209.15353	35.2
219.79311	1.4
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
53.03943	6.8
55.01865	6.1
55.05503	37.1
55.13488	3.1
57.03426	18.7
57.07064	5.7
57.94614	2.7
59.04981	5.3
66.00425	3.5
66.70282	3.0
67.05496	24.4
68.26357	2.8
69.03414	5.0
69.07059	34.7
71.04977	66.9
72.73841	2.7
76.53906	3.0
79.05468	23.9
81.03404	15.9
81.07036	40.8
83.04959	23.6
83.08601	14.3
85.06528	6.1
91.05475	35.1
93.07031	54.1
95.04944	27.8
95.08581	57.5
97.02889	3.7
97.06517	23.3
99.04446	7.3
105.07005	41.3
107.04924	8.3
107.08579	100.0
109.06496	27.0
109.10149	30.0
111.08065	32.3
113.05970	5.1
119.08575	27.9
121.06497	5.6
121.10125	67.3
123.08051	59.4
123.11678	8.3
131.08559	28.9
133.10110	65.4
135.08058	48.0
135.11681	49.1
137.09593	6.9
138.10371	28.3
139.11197	19.0
143.08571	8.1
145.05209	6.2
145.10127	17.3
147.11671	24.3
149.09605	68.5
149.13272	22.5
151.11176	41.2
158.10876	8.2
161.09590	5.9
163.11143	5.0
163.14822	19.6
166.03726	5.9
167.14328	4.7
173.13239	45.2
176.12035	4.8
177.54414	4.9
180.71451	3.5
191.14290	74.0
196.85402	3.5
197.02914	3.4
209.15344	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	209.1172
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02368	1.4
53.03685	2.3
53.03939	65.7
55.01864	28.3
55.05505	22.4
56.96552	1.1
57.03432	2.5
57.20773	0.9
59.04976	1.8
65.03924	6.6
67.05492	73.9
68.50504	1.0
69.03387	1.5
69.07048	10.6
71.01330	1.5
71.04987	8.0
74.05566	1.2
79.05000	1.4
79.05472	59.2
81.03397	100.0
81.07037	58.1
82.62320	1.1
83.04966	46.7
83.08621	7.5
85.02896	1.6
85.06522	4.6
91.05463	36.0
92.01962	1.0
93.03336	1.1
93.07021	44.5
93.34661	1.1
95.04945	33.0
95.08565	11.7
97.02877	11.9
97.06514	9.7
99.04434	4.3
103.05427	4.9
105.07003	16.2
107.04937	35.3
107.08572	20.5
109.06508	10.6
109.10151	5.0
110.79904	1.1
111.04424	31.6
111.08053	12.6
113.05970	4.3
115.05427	2.6
116.06181	1.6
117.06994	19.6
118.33334	1.2
119.08548	13.6
121.06489	6.5
121.10127	31.6
123.04407	1.1
125.06010	2.2
125.09581	1.5
129.06989	8.4
130.07779	5.3
131.04909	7.2
131.08549	14.7
132.05717	1.6
133.10110	5.1
135.08023	2.5
135.11649	18.3
137.09549	1.3
143.67264	1.1
145.06467	8.8
145.10107	27.5
147.08038	2.0
147.11670	1.5
149.09595	8.4
151.11143	1.7
153.06970	1.2
153.12704	5.3
155.08502	14.4
158.07256	1.5
163.11148	21.4
167.14323	4.9
173.09601	15.4
181.12160	5.6
191.10678	7.4
191.14290	2.1
209.11716	6.7
209.15327	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.22378	1.0
53.03932	2.7
53.49032	1.3
55.01836	1.8
55.05506	30.8
56.96560	13.4
57.03414	2.7
57.07074	1.3
57.49313	1.1
59.04987	5.8
60.14376	1.2
61.02887	2.0
65.03937	1.1
67.05486	8.7
69.03410	7.7
69.07062	12.0
70.06573	1.0
71.04980	10.2
73.02887	1.2
75.71240	1.1
79.05467	17.6
81.03399	16.7
81.07040	10.1
83.04947	11.6
83.08604	8.0
85.02888	3.3
85.06530	2.9
91.05458	17.6
93.07024	44.7
95.04951	53.8
95.08578	8.2
97.02860	2.7
97.06537	5.2
98.97562	43.4
99.04453	5.9
101.36703	1.3
102.51789	1.5
102.66254	1.2
103.05421	1.7
105.07021	13.0
107.04930	1.3
107.08584	40.7
109.02855	3.2
109.06541	15.9
109.10148	7.0
111.08083	2.4
113.05958	6.1
116.98607	27.6
117.06973	5.0
119.08575	6.9
121.06435	1.7
121.10126	100.0
122.03622	12.7
123.08018	1.8
123.11685	1.5
123.21783	1.3
125.05978	1.5
125.09612	3.2
128.98515	1.3
131.04895	5.1
131.08525	1.7
133.10114	13.8
134.99632	10.5
135.08037	3.0
135.11653	5.9
137.05962	96.7
138.06285	7.6
145.10077	1.5
149.01218	5.2
149.13242	3.0
151.11168	8.8
153.05510	2.8
153.09065	5.5
158.99635	8.5
161.01279	1.6
163.07552	2.9
163.14796	16.8
166.98506	1.7
167.02174	1.6
167.14314	8.8
173.13156	2.6
177.00696	14.3
191.14253	8.4
209.05659	2.3
209.15347	24.3
219.01765	1.3
222.14291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	3.1
55.01853	2.4
55.05511	22.4
57.03417	5.4
57.07059	6.0
59.04984	8.7
62.55772	1.3
65.03907	2.2
67.05494	23.1
69.03413	12.3
69.07037	6.7
71.04967	5.6
76.97264	1.3
79.05473	24.6
81.07043	24.0
83.04957	8.9
85.06535	2.5
91.05460	38.2
93.07030	25.1
95.04945	41.7
95.08585	29.4
95.43787	1.4
97.06472	2.6
99.04466	1.5
103.05467	2.2
105.07018	66.4
107.04931	3.6
107.07870	2.8
107.08585	67.1
107.88319	1.8
108.05714	2.6
109.06503	38.3
109.10146	15.6
111.08054	3.4
115.05464	2.2
117.07022	10.8
119.08557	69.2
121.06464	9.1
121.10107	14.9
122.07285	1.7
123.08047	100.0
125.09572	2.9
128.06213	3.2
129.06972	3.7
130.07767	1.8
131.08519	14.5
133.06502	13.4
133.07359	1.6
133.10106	23.8
135.08032	34.8
135.11659	7.9
137.09592	38.3
137.13171	2.2
139.07558	1.5
141.06981	2.1
143.08543	8.6
145.06444	2.4
145.10120	10.6
146.07269	3.5
147.08049	18.8
147.11662	45.3
147.12755	2.5
148.08905	2.0
149.08424	1.7
149.09517	15.3
151.07497	8.4
153.09099	10.6
156.09334	15.3
159.08058	2.9
159.11673	6.6
160.08833	9.9
161.09624	3.7
161.13225	21.7
163.11182	20.2
165.12689	3.1
171.11624	12.6
174.10394	9.1
177.12686	1.8
189.12720	78.2
207.13773	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.13514	2.5
55.05497	14.6
57.03402	2.8
57.07072	3.2
58.15992	2.8
65.09604	2.7
67.05496	24.8
69.03414	15.1
69.07057	6.8
70.45230	3.1
71.04981	6.5
74.12951	3.2
79.05459	18.5
81.03403	22.9
81.07040	25.5
83.04983	6.1
85.86458	2.8
91.05449	24.9
93.07028	30.7
95.04959	15.6
95.08587	65.5
99.54681	3.5
105.07009	60.5
107.04293	3.5
107.04926	26.2
107.08578	41.7
109.06514	30.2
113.09632	3.6
117.06987	16.0
119.08554	63.5
121.06496	14.9
121.10148	28.5
123.08055	39.4
128.06209	5.6
129.06969	3.7
131.08514	13.7
133.06456	14.0
133.10106	14.0
135.08061	5.6
137.09561	7.0
143.08582	6.0
145.10077	5.8
147.08011	23.6
147.11659	32.4
149.09601	48.7
151.07536	5.7
156.09380	13.9
161.05951	15.2
161.09604	12.9
161.13242	19.5
163.07515	100.0
163.11159	6.5
164.77420	3.2
165.12714	17.4
171.11688	6.3
185.16116	3.0
189.07317	3.4
189.08989	7.2
189.12729	42.2
207.13779	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.8
54.47567	0.6
55.01860	3.5
55.05503	10.5
57.03429	1.5
57.07063	1.0
59.04981	3.0
65.03918	1.4
67.05485	24.9
69.03411	9.5
69.07041	4.9
71.04991	2.8
79.05479	9.6
81.03392	4.5
81.07034	16.0
83.04961	3.9
91.05459	18.7
93.07026	13.7
95.04941	14.5
95.08588	16.4
97.06468	1.1
103.05459	1.0
105.07002	30.3
107.04951	3.9
107.08569	20.9
108.05765	1.3
108.29124	0.8
109.06496	40.0
109.10146	22.6
110.66067	0.8
111.04420	0.8
111.08041	1.7
117.07000	3.6
119.06053	1.0
119.08555	36.1
121.06479	4.5
121.10130	9.0
122.07265	9.5
123.04390	0.9
123.08044	28.6
128.06200	0.9
129.06990	1.3
131.08537	3.2
133.10135	7.8
135.08034	10.3
135.11662	3.7
137.05984	1.1
137.09592	100.0
137.13202	1.4
139.07535	1.4
143.08574	1.1
145.10089	1.8
147.08040	5.4
147.11658	14.4
149.09613	11.5
151.07538	3.3
153.09061	3.3
156.09348	3.2
159.08057	1.3
159.11641	1.1
161.05891	1.8
161.09557	3.4
161.13225	12.1
171.11649	1.9
174.10347	1.3
175.01276	0.7
177.26900	0.8
189.09026	1.5
189.12648	8.9
207.10057	1.3
207.13823	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.17548	1.2
55.01841	1.5
55.05498	11.4
56.96562	1.2
57.03433	1.4
57.07052	3.5
63.17241	1.2
65.03909	1.8
67.05490	38.1
69.03415	10.2
69.07051	5.8
79.05465	11.1
81.07029	10.6
83.04952	6.6
85.02881	7.3
85.06520	7.2
91.05468	14.2
93.07027	15.7
95.04952	14.9
95.08582	100.0
105.07018	25.3
107.08558	24.3
109.06536	13.8
109.10127	5.3
113.05973	1.3
117.06971	7.7
119.08558	28.1
121.06476	5.9
121.10139	11.1
122.62231	1.6
123.08047	39.8
123.11676	6.6
128.06172	2.4
129.06989	2.9
130.01836	1.5
131.08545	6.6
133.06479	6.4
133.10094	7.7
135.11719	3.6
137.09593	2.6
143.08530	1.8
145.06505	3.4
145.10086	6.1
146.07257	1.5
147.08028	7.7
147.11673	17.7
149.09604	22.6
151.07515	6.7
153.10414	1.4
156.09305	2.9
159.07944	2.8
160.08762	2.2
161.04793	1.6
161.05936	15.7
161.09570	6.1
161.13242	12.0
163.07526	7.8
163.11194	11.8
165.12703	8.9
171.11650	5.6
174.10318	2.6
189.09087	8.6
189.12701	41.0
207.10043	1.9
207.13757	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	0.7
55.01868	1.2
55.05507	8.0
57.07063	6.6
57.35113	0.7
59.04982	1.3
59.28773	0.7
65.03932	1.3
67.05493	37.7
69.03416	3.1
69.07060	1.5
79.05029	0.7
79.05449	5.3
81.03400	0.7
81.07053	8.1
83.04961	3.2
85.06535	7.0
91.05481	10.7
93.07014	16.7
95.04964	5.8
95.08588	100.0
105.07024	14.8
107.04922	1.5
107.08576	19.2
109.06498	12.0
109.10140	8.4
111.08047	0.8
113.05996	1.6
117.07038	1.4
119.08564	22.3
121.06450	1.6
121.10133	8.0
122.07289	1.6
123.08048	26.0
123.11701	1.5
129.06995	1.4
131.08553	3.8
133.06526	0.7
133.10106	4.6
135.08052	3.3
135.11690	5.0
137.09602	23.4
143.08568	1.3
143.83623	0.7
147.08008	3.9
147.11676	8.9
149.09592	16.7
151.07503	1.3
156.09308	1.1
161.05984	1.1
161.13245	8.4
165.12715	5.1
171.11574	1.7
174.10416	1.5
179.14273	0.8
189.09021	1.0
189.12737	8.0
207.13759	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.13633	0.7
55.01843	0.9
55.05500	2.1
57.07050	1.8
64.61390	0.8
67.05477	5.4
67.05797	0.8
67.82964	0.8
68.19642	0.8
69.03411	1.7
69.07051	1.6
69.73392	0.8
71.04987	1.0
79.05463	5.5
81.07031	19.9
83.04964	1.3
85.02889	100.0
91.05453	15.5
92.64447	1.0
93.07022	9.0
95.04913	1.3
95.08571	7.0
100.90868	0.8
103.05401	1.0
105.07008	17.8
107.08569	9.4
109.06489	6.1
109.10131	15.2
114.35896	0.8
117.06992	2.1
119.04908	4.6
119.08538	17.6
121.06463	1.4
121.10107	10.8
121.30225	0.8
123.08041	5.1
123.11678	44.6
125.05953	10.6
128.06213	1.7
129.06972	4.3
131.08525	3.4
132.02043	0.8
133.06445	1.6
133.10123	1.9
137.05911	1.1
141.06958	1.1
145.10095	5.8
147.04385	3.4
147.08032	4.7
147.11662	11.4
149.09595	12.7
151.07538	4.7
156.09315	3.6
157.06491	1.8
161.05905	5.8
161.09592	3.6
161.13190	1.4
163.11142	0.9
165.12682	0.9
169.08536	0.9
171.11629	1.6
174.06766	1.7
174.10243	1.2
175.03908	1.8
177.17287	0.9
189.09061	4.9
189.12637	6.4
192.04195	1.8
207.06407	1.6
207.13765	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03925	0.4
55.01861	0.6
55.05267	0.4
55.05507	6.4
57.03439	0.4
57.07072	4.3
59.04983	1.1
64.33419	0.4
65.03930	1.1
67.05494	33.7
69.03435	2.1
69.07042	2.0
70.46703	0.3
71.04978	0.7
79.05479	4.0
81.03385	0.5
81.07048	4.1
83.04956	2.4
83.08606	0.4
85.02853	0.3
85.06526	7.9
91.05463	6.5
92.08645	0.6
93.07030	11.1
93.07634	0.4
95.04944	3.4
95.08588	100.0
97.06532	0.5
103.05405	0.3
105.07018	10.4
107.04925	0.5
107.08575	10.9
108.92175	0.3
109.06473	2.2
109.10136	2.1
111.08041	0.5
113.05968	3.1
116.06228	0.4
117.07026	1.2
118.84057	0.3
119.08569	14.6
120.09337	0.4
121.06451	2.9
121.10116	7.7
123.08050	22.4
123.11707	2.4
128.06236	0.7
129.06969	0.3
131.08543	3.0
133.06467	0.5
133.10097	3.0
135.08041	1.3
135.11674	3.9
137.09608	1.9
143.08566	0.7
145.06496	0.3
145.10158	0.6
147.08072	2.5
147.11696	5.0
149.09604	21.0
151.07539	0.7
151.14787	1.1
156.09364	1.6
159.08064	1.5
161.05949	2.6
161.09613	1.6
161.13235	6.4
163.07518	6.3
163.11183	1.1
165.09021	0.4
165.12717	5.0
171.11629	0.5
174.10423	1.4
179.14322	0.7
189.09143	1.5
189.12700	6.5
207.13783	8.9
228.10927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Narchinol A
Peak:m/z	Relative Intensity
51.38207	0.2
55.01849	0.2
63.76938	0.2
67.05488	0.4
69.03412	0.5
71.04982	0.2
79.05476	0.4
79.22018	0.2
82.01329	0.2
83.04956	0.3
85.02872	0.3
91.05462	2.1
93.07011	0.2
95.04918	1.0
95.08596	0.3
98.58003	0.2
99.04462	0.2
101.09233	0.2
105.03339	0.3
105.07021	2.1
107.04953	0.3
107.08566	0.4
109.06497	0.3
115.05413	3.3
117.06992	9.2
119.04935	0.2
119.08550	0.8
121.06483	0.9
123.08029	0.3
128.06247	1.9
129.07010	0.2
133.06479	1.5
133.10094	1.3
133.97490	0.2
135.07993	0.3
137.09550	0.2
143.03587	0.3
143.08508	1.8
145.06459	2.1
149.09540	0.2
153.07010	0.2
161.05940	4.3
161.09567	4.9
163.07507	100.0
164.07861	0.3
165.05446	0.7
171.07982	1.2
180.04369	0.2
180.38574	0.2
189.09064	6.0
207.10159	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	207.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.05507	0.7
57.07059	1.9
67.05483	2.1
68.32192	0.4
69.03418	0.5
79.05463	2.1
81.07023	1.9
83.04974	0.6
85.06535	0.9
91.05463	10.1
93.07012	0.9
95.04961	6.8
95.08587	2.5
103.05453	1.7
103.81624	0.4
105.07013	9.6
107.04942	2.4
107.08588	4.9
109.06489	3.5
113.33398	0.4
115.05415	0.9
116.06223	1.0
117.06989	1.0
118.04130	3.0
119.04922	2.6
119.08539	3.9
121.06440	3.3
121.10144	0.8
122.07246	0.4
123.08050	8.8
128.06224	3.8
129.07024	5.7
130.07771	1.7
131.04898	7.1
131.08517	3.7
132.05679	0.8
133.06491	3.4
133.10170	1.6
142.27820	0.5
142.29138	0.5
143.08524	0.7
145.06491	2.8
145.10077	0.9
146.03624	2.7
146.07262	8.3
147.08046	2.9
147.11633	1.9
148.05173	5.0
149.09607	4.0
151.07527	2.2
156.09302	1.1
157.06503	0.8
159.08029	0.8
160.08769	2.2
161.05951	100.0
161.09578	19.4
163.11153	2.8
165.12659	0.7
171.11595	0.6
174.06735	3.0
189.09093	20.2
189.12712	13.5
199.30954	0.5
207.10121	2.9
207.13756	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	207.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14721	2.9
55.05501	3.7
56.96551	8.0
57.03424	4.1
62.81249	3.1
67.05490	6.8
69.03416	30.2
75.85702	3.1
79.05463	8.7
81.07041	6.2
85.02865	3.5
91.05475	18.5
93.07020	4.1
95.04945	7.3
95.08603	12.5
103.05457	7.7
105.06374	4.7
105.07024	100.0
107.08533	5.2
109.02908	5.2
109.06504	7.2
115.96410	3.7
116.97204	3.2
119.08562	16.3
120.02014	16.3
123.08064	14.3
131.04956	5.2
132.05640	4.3
133.06470	89.5
133.10040	3.6
137.05963	77.4
138.03104	5.0
142.03581	4.6
143.03656	7.1
147.08020	6.0
147.11618	5.2
150.06754	36.8
156.09344	3.6
160.04752	3.5
161.04610	5.4
161.05934	5.5
161.13176	5.2
165.09064	52.5
187.68625	3.5
189.09123	7.3
207.10114	7.2
207.13716	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	207.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89928	0.6
55.05516	0.6
57.07063	1.2
67.05484	2.8
79.05473	2.8
81.07056	1.1
83.04991	0.6
84.38235	0.5
84.94927	0.5
85.06548	0.9
91.05462	8.4
93.07026	1.4
95.04939	9.1
95.08598	4.2
103.05442	2.7
105.07022	11.1
107.04935	2.6
107.08593	5.8
109.06493	5.4
116.06253	0.9
117.06983	2.1
118.04146	3.3
119.04929	2.5
119.08561	5.3
121.06490	3.8
121.10175	1.1
123.08054	11.7
128.06207	3.0
129.07027	6.8
130.07753	0.9
131.04890	7.4
131.08543	6.6
133.06454	4.4
133.10098	1.0
143.08562	1.1
144.05737	1.1
145.06506	3.0
145.10129	2.7
146.03621	2.5
146.07254	9.6
146.10930	0.6
147.08084	3.9
147.11671	2.7
148.05165	5.5
149.09648	4.6
151.07507	3.8
156.09293	1.0
157.06459	1.1
159.08018	0.8
160.08873	2.3
161.05951	100.0
161.09587	21.3
161.13226	0.6
163.11153	3.4
165.12852	0.8
171.11653	1.2
174.06711	2.8
174.10382	2.2
189.06322	0.6
189.09061	21.4
189.12697	17.6
207.10144	2.4
207.13766	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	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.89928	0.6
55.05516	0.6
57.07063	1.2
67.05484	2.8
79.05473	2.8
81.07056	1.1
83.04991	0.6
84.38235	0.5
84.94927	0.5
85.06548	0.9
91.05462	8.4
93.07026	1.4
95.04939	9.1
95.08598	4.2
103.05442	2.7
105.07022	11.1
107.04935	2.6
107.08593	5.8
109.06493	5.4
116.06253	0.9
117.06983	2.1
118.04146	3.3
119.04929	2.5
119.08561	5.3
121.06490	3.8
121.10175	1.1
123.08054	11.7
128.06207	3.0
129.07027	6.8
130.07753	0.9
131.04890	7.4
131.08543	6.6
133.06454	4.4
133.10098	1.0
143.08562	1.1
144.05737	1.1
145.06506	3.0
145.10129	2.7
146.03621	2.5
146.07254	9.6
146.10930	0.6
147.08084	3.9
147.11671	2.7
148.05165	5.5
149.09648	4.6
151.07507	3.8
156.09293	1.0
157.06459	1.1
159.08018	0.8
160.08873	2.3
161.05951	100.0
161.09587	21.3
161.13226	0.6
163.11153	3.4
165.12852	0.8
171.11653	1.2
174.06711	2.8
174.10382	2.2
189.06322	0.6
189.09061	21.4
189.12697	17.6
207.10144	2.4
207.13766	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	207.0499
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
53.26767	1.4
53.27853	1.3
54.07729	1.4
54.36449	1.3
55.01867	86.3
57.03429	53.3
58.80275	1.8
59.05000	15.5
60.20456	1.4
61.02911	11.4
68.99791	2.0
69.03432	3.0
71.01338	50.4
71.04970	14.2
73.02899	45.2
74.76260	1.8
75.04465	7.4
78.41067	1.6
82.60139	1.7
83.01323	61.1
83.01775	3.0
84.02104	10.7
85.02887	10.8
87.00819	9.8
87.04449	57.1
87.66262	1.5
89.02377	3.6
95.01303	7.8
97.02840	2.1
99.04442	19.6
101.02359	94.9
103.03918	6.8
111.00792	38.7
113.02390	2.6
115.03907	100.0
125.02325	3.8
129.01817	93.1
129.02795	3.1
131.03310	2.1
133.04929	7.1
134.21251	1.5
141.01782	1.8
143.03380	39.2
147.02876	7.6
157.01295	63.8
157.02594	2.6
159.66402	1.6
161.04442	15.5
175.02338	2.8
189.03928	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	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
55.01860	1.5
55.05501	3.9
56.96552	2.7
57.03431	0.8
57.07068	0.9
61.02884	1.0
65.03924	8.0
67.05483	2.9
68.17484	0.6
69.03409	4.4
69.07043	1.3
71.04965	0.8
76.03109	1.4
77.03893	1.3
78.04680	0.8
79.05464	4.5
80.06245	0.8
81.03391	2.8
81.07033	3.1
83.04972	1.7
85.02879	1.6
89.03893	4.7
90.04681	1.0
90.69055	0.7
91.05463	100.0
92.84023	0.7
93.03405	0.6
93.07016	4.4
95.04931	3.5
95.08575	3.7
98.97570	0.9
103.05460	3.7
105.07019	14.1
107.04936	8.4
107.08566	3.8
108.05747	1.0
109.06499	3.7
109.10116	1.7
111.08000	0.8
115.05415	0.7
116.98631	0.6
117.06994	4.5
118.04151	12.8
119.04923	72.3
119.08572	12.4
121.02848	4.6
121.06472	3.2
121.10107	4.1
123.04440	1.0
123.08068	5.2
123.08834	0.7
125.09596	0.8
128.06200	3.9
129.05435	1.1
129.06992	5.7
130.07828	0.8
131.04893	3.8
131.08551	3.5
132.02083	7.7
133.02826	1.1
133.06477	3.8
133.10123	7.2
134.03595	0.9
134.99608	0.8
135.04379	4.2
135.08026	3.0
136.05142	3.6
137.05963	1.4
139.01807	1.2
141.06987	0.9
143.08464	1.5
145.02850	1.6
145.06477	1.6
145.10123	6.1
146.03604	3.6
146.07239	1.3
147.04388	50.0
147.08035	7.2
147.11671	4.9
148.05215	1.1
149.02351	14.2
149.09586	1.6
150.03114	1.0
151.07558	5.5
156.09283	3.5
157.03981	4.9
157.06483	1.3
159.08038	0.9
159.11714	1.0
160.05244	1.0
161.05951	30.2
161.09550	5.9
161.13214	5.9
163.03934	1.4
163.11201	3.0
164.04616	9.0
165.12756	1.3
171.11641	1.3
173.02243	0.7
174.03130	1.3
174.06671	1.0
174.10342	1.3
175.03876	46.0
177.01761	3.4
179.07030	6.4
189.05351	0.8
189.09087	9.8
189.12703	5.6
192.04144	24.0
207.06509	28.9
207.10147	4.3
207.13715	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	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01862	3.9
55.05481	1.5
56.04805	0.9
56.05030	15.4
57.03429	0.9
58.02946	1.3
58.06342	1.4
58.06590	20.4
59.04978	2.4
60.04504	1.1
62.26741	0.9
68.05025	8.2
69.03416	1.1
69.07035	3.7
70.06564	1.9
72.81966	0.9
76.00024	0.9
76.07572	1.2
79.05462	1.4
81.07051	1.8
84.04492	77.4
85.02888	16.2
87.04451	1.2
89.24786	1.2
92.64950	1.1
96.08109	100.0
99.04417	1.3
100.03973	1.4
101.02277	1.1
102.05531	4.1
110.01810	1.0
114.03732	1.4
114.05502	2.3
115.03882	1.3
121.10071	1.8
124.06683	2.1
124.07569	51.2
129.01830	1.0
142.08609	38.0
160.09666	36.3
170.08105	32.1
178.04961	30.9
188.09163	10.6
206.04449	7.0
206.10188	30.9
219.55382	1.1
226.72171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
56.96546	0.5
69.07057	0.5
74.02408	2.3
78.95254	0.3
81.03368	0.4
85.02929	0.4
90.58092	0.3
91.05460	1.7
97.02867	0.5
109.02901	0.5
115.05444	3.8
117.05756	1.4
117.06999	2.9
118.06521	56.5
121.02891	0.5
121.10149	0.5
130.06468	3.5
132.08073	13.3
142.06506	5.5
143.06223	0.7
143.07272	8.3
144.04443	0.4
144.08069	23.0
145.06429	0.8
146.05994	100.0
148.30624	0.3
149.02299	2.3
155.05966	0.3
159.09146	10.2
160.04962	0.3
160.07559	2.2
163.01698	1.2
170.05974	9.5
181.02858	2.1
188.07039	59.8
205.09735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
51.82235	0.2
56.96554	0.3
60.82539	0.2
84.08131	0.2
92.08723	0.2
104.05000	0.3
105.03365	1.5
107.04942	0.2
116.05350	0.2
123.96419	0.3
132.04413	1.7
133.02818	0.2
149.02440	0.2
150.05505	2.8
178.04965	100.0
179.05264	0.3
180.05415	0.2
181.52162	0.2
205.08748	0.2
206.04459	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	206.0812
Annotation	Doryphornine
Peak:m/z	Relative Intensity
50.13735	1.0
53.85602	0.9
67.05148	1.3
67.05492	31.2
69.07067	1.7
79.05470	9.6
80.05009	1.5
81.07035	5.2
82.02917	5.1
84.04505	1.3
88.02246	1.0
91.05449	2.6
94.06524	2.2
95.04951	12.8
96.04467	6.3
96.05727	2.1
97.06535	1.6
100.66344	1.2
105.07023	4.6
107.07335	6.0
107.08598	1.2
108.08099	29.1
110.06037	7.2
118.98446	1.1
119.01913	4.7
121.10152	1.5
122.05975	1.4
122.09657	9.5
123.96441	2.4
132.08025	1.5
135.06796	5.6
142.03522	4.5
147.04387	1.8
148.03593	1.2
150.09134	43.8
178.08603	100.0
206.08104	59.3
206.15514	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	202.2164
Annotation	DDAO
Peak:m/z	Relative Intensity
52.83883	0.4
53.00287	0.8
55.05493	1.0
55.75115	0.4
56.96547	0.5
57.07067	31.0
58.06576	3.3
58.06843	0.5
62.06078	14.9
69.07069	0.5
71.08615	7.9
72.08112	0.8
81.07056	0.5
85.10168	4.6
86.62879	0.5
91.99624	0.4
96.29059	0.4
161.92259	0.6
166.13574	0.5
181.94460	0.5
184.20598	10.3
202.21626	100.0
215.81575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1391
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
55.01865	2.2
55.05499	1.6
55.93511	1.6
56.05036	0.3
56.96547	1.5
57.03421	2.0
59.04968	0.4
60.04514	0.7
62.12329	0.3
62.66495	0.3
65.09512	0.3
67.05500	2.4
68.05025	0.3
69.03406	0.6
69.07057	2.7
70.06579	1.8
70.61728	0.3
71.04973	0.5
71.06893	0.4
71.92979	0.3
72.04510	2.9
72.08138	3.8
72.93768	0.8
73.02886	0.3
79.05450	1.2
81.03416	0.7
81.07038	3.1
82.26678	0.3
83.04984	0.4
83.08637	0.3
84.04491	1.8
84.08128	2.6
85.02890	0.5
86.06036	0.6
86.09689	100.0
88.04002	0.5
89.94038	0.6
90.05517	0.6
91.05461	2.3
91.43117	0.3
93.07025	1.7
95.04894	0.3
95.08611	2.6
96.04456	0.6
96.43058	0.3
96.90102	0.3
97.02869	1.5
97.06491	0.6
98.97560	1.4
98.98483	0.4
99.04432	0.5
100.02455	0.5
102.96879	0.7
105.07014	5.4
107.04926	1.4
107.08569	0.8
109.10134	1.3
111.04413	1.4
112.11248	0.4
114.05494	4.8
116.07097	0.5
116.98582	0.5
117.07005	0.5
119.01910	3.6
119.08543	4.0
120.01939	2.5
120.96494	2.5
120.97887	1.3
121.10134	0.6
121.68716	0.3
121.96617	2.4
125.05975	0.3
125.96086	0.7
128.95105	0.5
130.06506	8.7
133.06580	0.3
133.10086	2.3
134.99617	0.4
137.02968	2.6
138.03082	2.3
138.98915	0.5
143.03464	0.7
144.10199	0.4
146.96155	1.6
147.11668	3.5
148.97673	2.0
156.96222	0.6
157.04848	0.3
157.06401	0.5
157.07594	11.8
161.02963	0.4
161.04692	0.4
161.13206	0.6
167.07008	0.6
171.02795	0.3
173.02895	0.4
175.07539	0.5
177.00412	0.4
179.97812	1.3
203.00771	1.4
203.05240	2.1
203.08116	7.4
203.13934	3.1
203.17815	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	202.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38112	0.8
51.62206	0.9
53.03930	2.4
55.01864	1.3
55.05500	1.2
56.05032	4.3
56.96546	5.2
57.03394	1.2
60.04517	24.5
60.89761	0.9
61.02906	1.8
68.05012	37.6
69.03417	15.9
69.07052	1.2
70.06205	2.4
70.06577	50.6
71.04967	1.6
71.34438	1.1
71.79111	1.1
72.04498	27.6
72.08136	1.7
72.93757	1.2
73.02894	5.7
74.30444	1.1
78.03430	2.0
79.01836	2.3
79.05531	1.3
80.05002	2.3
81.03394	9.6
84.04490	16.4
84.08139	1.7
86.06018	1.2
88.03965	7.5
94.02899	1.2
95.01295	10.4
96.04469	100.0
97.02863	17.2
98.06036	20.5
98.97552	4.7
99.37109	1.1
100.03938	2.1
100.97144	2.3
101.00856	4.4
110.06059	1.4
112.03947	34.2
112.07542	1.2
113.02341	35.4
114.05506	56.9
116.98586	5.3
118.98183	1.4
119.01895	37.3
124.03931	46.2
125.02322	22.3
130.04976	2.5
137.02933	21.7
138.05499	12.2
142.03476	5.6
142.04965	54.2
143.03394	2.1
145.10104	1.7
146.10521	1.6
154.04999	1.4
156.06519	13.1
160.04546	4.6
160.06032	14.9
161.02933	1.5
166.04926	1.4
179.04015	12.3
182.21017	1.3
184.06039	6.2
187.15768	1.1
202.07062	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	202.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84674	0.9
52.30268	0.7
54.32642	0.8
55.05508	9.1
55.93519	2.0
56.96564	8.6
57.03425	2.0
60.04506	1.1
67.05489	1.5
68.05024	2.1
68.72367	0.7
69.03420	7.9
69.07061	1.1
70.06581	25.3
71.54548	0.8
72.08140	26.2
72.86934	0.8
72.93762	1.1
77.00819	0.9
79.05469	4.2
81.07030	8.6
84.04481	3.3
84.08143	3.8
85.02888	1.1
85.47111	0.9
86.06056	17.1
86.09700	3.3
87.04454	52.2
89.94025	1.2
91.05439	0.9
93.07015	1.2
95.04943	1.1
97.06497	5.1
98.06037	66.2
98.97593	6.1
100.42934	0.8
100.97179	2.1
100.97945	1.3
101.00856	3.5
109.55389	0.9
110.09659	0.9
110.97572	1.0
112.11249	1.2
112.55740	10.3
113.05876	1.5
114.05555	6.5
116.98610	9.4
118.96747	3.5
118.98211	4.3
118.99024	1.2
119.01902	65.1
120.01985	1.4
120.96497	3.8
125.96155	1.5
126.55434	1.2
127.66834	0.8
128.98517	0.9
130.61859	1.0
133.02846	4.8
134.99672	5.9
135.06779	7.9
135.56889	1.0
136.99213	3.6
137.00140	1.8
137.02939	41.9
138.05449	1.5
138.09109	1.9
140.10686	36.5
142.03488	16.4
146.84081	0.9
146.96109	3.9
148.97728	5.0
153.00676	1.1
156.06555	5.2
158.11745	100.0
160.04535	10.9
161.02892	6.3
177.00621	1.8
178.05592	1.2
178.98335	1.7
179.03970	17.4
179.97777	1.9
184.09683	3.7
189.02699	0.9
202.14400	8.9
207.07910	0.9
208.08282	0.8
210.10507	0.9
212.71994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63996	0.8
53.03949	1.3
55.05505	17.1
56.96552	6.1
57.03430	1.8
57.07063	2.2
59.04984	1.3
59.93092	4.4
63.06168	0.7
65.03943	1.0
67.05490	72.0
67.79168	0.9
68.27976	1.0
69.03393	1.3
69.07050	8.5
70.02923	1.2
71.04972	21.4
77.94132	3.5
79.05482	16.8
81.07036	100.0
82.52745	0.9
83.04946	1.6
83.08594	3.8
85.06527	9.8
89.36440	0.8
91.05455	24.6
93.07014	8.7
95.08578	8.2
97.06495	1.3
97.10149	1.0
98.97551	10.9
99.97907	5.2
102.96569	1.0
105.07015	23.8
107.04922	1.1
107.08578	13.7
107.23286	1.0
109.06515	3.5
109.10151	21.4
114.05518	1.9
116.98592	9.9
117.98928	5.8
118.96739	33.8
119.01871	1.4
123.11684	12.2
131.08548	1.8
133.10104	20.5
133.99072	5.8
134.99654	9.1
135.99991	5.5
136.04504	1.6
136.95474	1.0
145.10075	10.0
150.95699	1.9
151.11150	8.6
153.00697	4.7
154.01021	2.1
154.59137	1.3
154.96455	12.9
159.11647	4.2
160.04538	1.6
169.12257	1.0
172.97488	1.7
177.98027	15.5
178.05533	1.2
187.13228	5.6
201.16386	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	199.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01881	4.5
55.05505	39.8
56.96556	10.2
57.03432	32.4
57.07074	10.8
57.93555	6.4
59.25371	1.2
59.87004	1.3
63.28913	1.2
63.94915	1.4
67.05146	2.8
67.05495	73.0
69.03401	2.0
69.07060	30.5
70.41528	1.3
71.01344	9.8
71.04968	7.7
72.04488	2.0
74.09702	13.9
75.94579	5.7
79.05479	64.1
81.03403	8.3
81.06596	2.5
81.07041	38.8
83.04969	30.4
83.08597	12.3
85.06516	1.6
86.06112	1.5
91.05468	26.8
93.07024	74.3
95.04970	7.9
95.08594	11.3
96.36696	1.4
97.06510	20.2
97.10160	12.4
98.30446	1.8
98.97564	100.0
100.07599	6.7
101.36100	1.5
105.07026	6.0
107.08584	37.4
107.88174	1.5
108.08903	1.5
109.00770	2.0
109.06490	1.6
109.10157	3.7
111.08032	2.0
116.97229	61.6
116.98590	74.8
117.07010	7.0
119.08547	7.7
121.10129	8.7
131.99541	11.3
134.95860	6.9
134.99640	45.8
135.10648	3.0
135.11673	65.4
145.10100	10.6
152.96877	15.0
153.00685	6.8
158.01176	3.0
163.11172	8.6
170.97971	1.7
175.98524	24.6
176.02312	9.3
181.12201	7.2
194.03360	2.6
198.18501	54.2
199.18878	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03930	2.9
53.34461	1.5
55.01846	6.3
55.05502	46.5
56.05830	1.7
56.89363	1.3
56.96568	12.6
57.03175	2.3
57.03428	43.9
57.07059	8.5
57.93543	3.8
65.03918	2.0
67.05489	95.6
67.05848	3.3
69.07056	37.2
71.01324	9.4
71.04967	9.6
71.08601	2.5
72.04473	2.0
74.09692	20.7
75.94583	3.0
79.05472	80.3
81.03412	10.9
81.07031	39.8
83.04964	29.6
83.08611	13.8
85.06519	2.8
86.09658	1.9
91.05464	28.9
93.07023	88.4
95.04933	7.7
95.08578	8.8
97.06510	22.5
97.10134	12.9
98.97559	100.0
98.98203	3.7
99.08080	1.7
100.07584	7.5
105.04431	1.6
105.07000	9.6
107.04971	1.8
107.08568	48.3
108.08905	2.0
109.10148	7.1
111.11730	2.9
116.97218	60.3
116.98582	82.7
117.06979	3.9
119.08545	7.8
121.10117	9.2
130.07715	1.6
131.99513	13.8
133.10088	6.2
134.95856	2.9
134.99619	43.6
135.11662	70.7
140.00198	1.9
145.10069	12.1
152.96922	19.7
153.00717	6.6
158.01222	3.1
163.11118	6.5
170.98067	1.7
175.98512	27.1
176.02307	11.8
181.12183	8.0
198.18486	67.6
199.18867	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03949	0.7
55.01862	0.9
55.05508	1.0
57.07066	1.2
59.04974	1.1
65.03915	1.1
67.05502	3.1
70.95851	10.9
71.05004	0.7
72.93769	5.8
73.02921	0.8
75.28127	0.6
79.05455	5.1
81.03409	0.7
81.07031	4.1
83.42735	0.8
88.96896	0.7
90.94855	0.8
91.05466	29.6
92.09365	0.8
93.07026	17.4
95.04948	6.1
95.08577	1.1
98.62624	0.7
99.04420	0.9
105.06491	0.6
105.07013	25.3
107.08582	45.7
109.06499	4.4
109.10137	4.4
111.98455	7.8
119.04917	18.3
119.05709	1.1
119.08562	5.2
121.06467	5.0
122.02774	0.7
123.04381	1.2
123.11687	1.3
125.05930	1.4
129.99512	3.2
131.08505	1.6
132.95810	16.5
133.10112	50.0
135.08064	0.9
135.11684	23.1
137.05957	3.1
137.09596	1.1
143.08578	1.0
147.04396	100.0
150.96880	26.7
151.03882	5.8
151.07536	16.8
151.11137	1.5
155.97379	6.6
161.09584	20.6
168.98033	1.2
173.98476	12.7
179.07051	7.7
179.10651	47.3
197.11707	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34526	0.9
53.03922	1.0
54.81362	1.0
55.01867	8.8
55.05505	7.6
55.58618	1.0
57.03437	10.0
57.07055	5.9
57.07318	1.1
61.02915	9.1
61.80733	0.7
67.05494	1.1
69.03072	1.3
69.03417	26.3
69.03796	1.0
69.07056	7.6
70.06577	1.3
70.98073	1.0
71.04945	1.3
71.08610	1.0
73.02899	7.5
79.05474	1.1
81.03386	5.2
81.07013	1.6
83.01283	0.9
83.08589	5.4
85.02890	100.0
91.03918	1.9
95.06075	1.2
95.08592	1.0
96.08119	0.9
96.47569	0.7
97.02859	20.5
97.06498	0.9
97.10154	3.8
99.04426	7.1
101.02351	5.1
103.03945	1.3
105.60374	0.8
109.02861	6.0
110.07140	3.9
119.01873	1.1
121.10123	0.9
124.07513	1.7
127.03899	37.7
134.05956	6.0
138.05499	1.1
145.04935	29.0
147.01387	1.0
152.07039	12.0
152.08159	1.3
162.05464	2.1
163.06017	7.3
180.06505	7.8
180.08566	1.6
198.07571	6.3
198.09305	0.9
198.18506	91.6
205.44653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
54.89361	0.6
55.01841	0.7
55.05486	4.1
57.03400	0.6
57.07062	0.7
59.04985	3.2
65.03889	0.7
67.05495	6.2
69.03404	0.9
69.07066	1.2
70.22897	0.6
70.95850	9.3
72.93773	5.0
79.05479	7.2
81.07032	8.0
85.06528	0.9
90.94817	1.4
91.05456	25.0
93.07025	34.1
94.53809	0.6
95.04945	12.5
95.08582	3.5
103.24824	0.7
105.07013	41.3
107.04934	1.3
107.08577	91.2
109.06524	6.4
109.10149	7.1
111.98457	6.0
116.51189	0.8
117.06966	0.7
118.07770	0.9
119.04924	4.6
119.06097	0.9
119.08566	12.8
121.06491	5.9
121.10066	1.7
123.04384	5.2
123.08060	1.1
123.11674	3.0
129.99486	4.0
131.08566	4.3
132.95818	14.8
133.06491	1.1
133.10109	91.2
135.08011	1.4
135.11673	54.2
137.05954	1.7
137.09601	4.8
143.08572	1.3
146.07210	1.6
150.96864	20.2
151.03845	0.9
151.11110	6.4
153.11665	0.6
155.97440	5.8
161.09593	35.8
168.97928	0.8
173.98457	9.7
179.10634	100.0
197.11700	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.58933	1.0
55.05498	2.5
55.28021	1.1
56.77724	1.0
57.07056	1.5
59.04987	2.7
59.34937	1.1
62.91481	1.4
65.03902	1.8
66.24220	1.6
66.72614	1.2
67.05476	6.1
70.95860	18.2
72.93771	9.7
76.46568	1.3
79.05482	10.4
81.07029	8.6
88.96854	1.4
91.04897	1.7
91.05463	50.3
92.09318	2.0
93.07032	29.0
95.04930	12.3
95.08590	2.3
99.04443	1.7
103.05470	1.3
105.06366	2.5
105.07017	43.6
107.08582	82.5
109.06485	9.3
109.10128	7.5
111.98459	13.2
119.04926	19.9
119.08560	11.5
121.06469	7.6
123.04399	2.6
123.08061	1.4
123.11725	3.0
125.05983	1.5
128.06206	1.5
129.99452	5.6
131.08531	3.2
132.95828	28.7
133.10115	100.0
135.11678	45.3
137.05920	6.4
137.09570	6.8
146.07198	2.8
147.04399	83.1
149.51396	1.5
150.96875	38.7
151.03879	8.0
151.07516	16.7
151.11143	5.8
155.97406	10.5
161.09584	40.4
173.98476	25.5
177.03670	1.3
179.07149	9.4
179.10641	92.5
197.11699	65.5
199.51003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01863	12.7
55.05272	0.5
55.05507	9.4
55.93505	0.7
56.96551	0.5
67.05476	2.3
69.03419	0.9
69.07047	0.6
70.95849	14.9
72.93762	8.7
79.05485	6.7
81.07038	33.2
82.25213	0.5
88.96881	3.1
90.94807	2.1
91.05479	4.7
93.07024	5.9
95.04939	1.2
97.06512	3.1
99.04443	5.0
100.27992	0.5
105.03403	0.7
105.07001	5.1
107.08582	3.3
109.06510	14.5
109.10139	7.1
111.04422	2.4
111.98463	12.0
113.96384	0.9
115.22460	0.5
119.08558	2.9
121.06483	2.5
125.05968	40.4
127.03887	12.9
128.06113	0.5
129.99493	6.6
131.97374	0.8
132.95810	24.2
133.10094	6.3
137.05956	100.0
137.09563	9.5
143.08534	3.9
147.04411	2.3
150.96867	47.6
151.03870	3.4
151.11165	0.7
155.97400	10.4
161.09576	6.4
168.97900	1.1
173.98448	19.8
179.10628	11.2
197.11694	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	197.0808
Annotation	1135-23-5
Peak:m/z	Relative Intensity
50.86721	0.2
51.65731	0.2
52.04683	0.2
52.90508	0.2
55.86783	0.2
56.51366	0.2
61.83401	0.2
65.03920	1.0
70.95854	2.7
72.93774	1.7
75.99088	0.2
81.07025	0.2
88.96865	0.4
89.28624	0.2
91.05463	18.2
93.03375	0.3
95.04944	1.3
105.03368	0.3
108.05738	0.2
110.03658	1.5
111.98481	1.5
119.04925	15.2
125.05956	1.4
129.99495	0.5
131.71768	0.2
132.95799	4.1
135.39072	0.2
136.05182	1.3
137.05966	1.1
144.74004	0.2
147.04395	100.0
149.40616	0.2
150.96884	6.4
151.03859	1.4
151.07524	17.9
154.26573	0.2
155.97394	1.5
166.98228	0.2
173.98474	3.3
179.06990	9.3
197.08058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.49103	1.1
54.81488	1.1
55.01862	6.3
55.05511	17.5
58.52291	1.3
59.04985	2.4
67.05492	7.3
69.03425	2.0
76.56135	1.5
78.91301	1.4
79.05468	10.1
81.07049	17.0
84.64486	1.3
91.05466	28.9
93.07027	30.7
93.47061	1.4
95.04973	10.6
95.08552	5.2
97.06518	7.1
99.04421	7.8
105.07012	48.8
107.08583	85.6
109.06512	10.8
109.10130	7.1
111.98457	1.5
119.08551	10.6
121.06498	6.2
123.04386	5.1
123.11671	3.0
125.05044	2.0
125.05976	55.1
127.03902	18.0
131.08521	5.5
132.95815	2.5
133.06548	1.5
133.10109	100.0
135.11674	47.4
137.05963	42.6
137.09653	1.9
143.08545	2.5
150.81944	1.2
150.96873	2.4
151.11214	5.5
161.09593	39.2
171.74545	1.4
179.10651	95.5
197.11700	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.03059	0.3
53.03933	0.5
55.01861	0.9
57.19181	0.4
61.15223	0.4
65.03921	1.0
67.05479	2.4
70.95845	1.1
72.93766	0.7
73.02898	14.4
83.22266	0.4
84.75070	0.5
91.05463	3.8
93.03375	0.7
94.32635	0.5
95.04980	0.8
108.02106	2.2
110.03637	2.1
111.04418	1.9
111.98465	1.1
119.04914	2.1
120.46902	0.5
124.70477	0.5
125.05967	10.1
129.99567	0.4
132.95828	3.6
141.05421	4.7
149.06000	2.2
150.96873	4.9
151.03889	100.0
151.05000	10.4
151.07521	3.0
155.97377	0.5
173.98476	1.8
179.06981	12.7
196.62036	0.4
197.08031	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03925	0.4
54.81487	0.3
55.01857	2.3
55.93511	0.6
56.96555	0.4
57.03440	0.4
65.03914	1.5
67.05482	1.6
70.95849	13.6
72.93769	6.3
73.02903	13.9
76.65981	0.3
79.80563	0.3
81.07034	0.4
85.02879	0.5
87.82803	0.4
88.96873	2.8
90.94804	1.7
91.05471	5.5
93.03397	0.5
95.04940	3.8
105.07015	0.6
108.02084	2.5
110.03642	2.3
111.04428	2.0
111.98458	10.3
113.96397	0.8
119.04920	4.5
123.04295	0.4
125.05972	7.6
129.99492	5.5
132.95816	20.4
137.05984	0.7
141.05444	5.1
147.04404	10.1
149.05946	3.6
150.96877	39.4
151.03894	100.0
151.04999	9.0
151.07500	5.5
152.58432	0.3
155.97417	8.7
167.83110	0.4
168.44617	0.4
168.97919	0.8
173.98476	16.4
174.00005	0.8
179.05426	0.5
179.07005	14.9
179.10477	0.4
197.08116	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.33811	0.5
51.57333	0.5
53.00282	3.8
53.03938	7.1
55.01871	4.9
55.05506	35.4
57.03433	9.7
57.07053	4.1
63.58237	0.6
65.03925	3.3
66.63920	0.5
67.05494	29.9
68.96317	0.7
69.03410	6.6
69.07055	55.0
71.04613	0.8
71.04977	18.0
77.03936	0.7
79.05476	85.8
81.03397	14.8
81.07039	72.8
83.04960	3.1
83.08603	8.7
85.02841	1.0
85.06518	0.9
91.05461	63.1
93.07024	100.0
95.04945	17.3
95.08009	1.3
95.08586	28.7
95.09199	1.0
97.06509	3.9
103.05453	1.5
105.04498	3.7
105.07014	33.9
107.04937	10.9
107.08579	61.0
109.02864	6.2
109.06503	21.6
109.10135	1.4
114.74995	0.6
115.05422	6.9
116.06212	2.8
117.03346	0.7
117.06999	24.2
119.06055	1.3
119.08559	18.6
121.06480	18.2
121.10139	12.6
121.15172	0.6
122.07245	3.0
123.08015	5.9
126.60548	0.6
128.06062	0.6
129.06978	11.7
130.07745	9.1
130.96263	0.8
131.08545	35.1
133.02798	3.4
133.06456	3.4
133.10121	6.3
135.04401	4.0
135.08034	10.7
135.11658	9.7
137.42473	0.7
142.07768	1.0
143.08615	0.7
144.09308	9.5
145.02826	1.6
147.11711	0.7
148.97343	1.5
149.13249	12.8
149.97177	0.8
157.10127	1.1
159.11671	16.0
163.03877	23.4
164.34106	0.6
171.98933	1.0
172.98895	1.0
177.05450	2.7
177.12698	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	195.1379
Annotation	Carvyl acetate
Peak:m/z	Relative Intensity
53.03934	6.8
55.01866	2.0
55.05507	19.0
56.96547	8.8
57.03421	5.9
58.02264	0.9
65.03922	1.3
67.05489	100.0
68.96304	1.7
69.03410	4.3
69.07053	19.2
71.04968	11.8
72.50446	0.9
75.04464	0.9
79.05470	39.2
81.02934	2.1
81.03397	44.7
81.07034	97.5
83.04955	9.2
83.08594	12.3
85.02876	2.1
85.06522	4.4
89.03894	1.3
91.05450	30.3
92.72699	1.0
93.07019	53.5
95.04936	8.8
95.08579	32.4
97.06498	15.6
97.10175	1.2
98.97550	1.3
99.04428	1.8
99.08080	1.6
103.02291	4.3
103.09546	1.2
105.07008	13.9
105.44212	1.1
107.04935	1.6
107.08568	25.2
109.02847	17.7
109.06509	4.2
109.10140	5.8
109.42750	1.1
109.98953	1.8
111.08070	5.2
117.03362	4.6
117.06985	12.3
121.06497	7.0
121.10085	10.0
123.08030	1.9
125.09595	1.3
127.03928	1.1
129.01030	0.9
130.96217	3.9
131.08534	19.2
131.96098	1.3
131.97412	1.1
133.10109	17.5
134.99631	1.7
135.08034	2.1
135.11656	24.3
137.13176	0.9
143.05363	7.5
145.02814	5.0
148.97330	10.1
149.01192	1.5
149.05902	1.8
149.13222	26.3
149.97180	5.2
151.11195	3.9
152.05981	7.8
153.97865	1.6
159.11650	21.8
162.45767	0.9
163.03876	5.2
166.98450	0.9
171.98946	4.8
172.98813	1.1
175.02747	1.5
177.05461	6.4
177.12717	13.1
177.16403	1.0
195.13751	18.5
195.15448	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.66252	1.3
53.03930	10.0
53.43055	1.2
55.01860	2.8
55.05508	27.7
56.96574	1.9
57.03422	3.7
57.07077	1.9
59.42726	1.4
63.51435	1.6
65.03920	2.7
67.05148	2.5
67.05492	62.9
68.96313	1.6
69.03419	1.5
69.07049	20.8
70.80930	1.2
71.01331	2.4
71.04983	6.5
75.14166	1.2
79.05477	47.8
81.03407	25.6
81.07038	96.9
83.04954	8.6
83.08598	8.7
91.05465	35.0
93.07025	56.0
95.04956	12.4
95.08591	28.6
97.06526	11.9
105.04449	2.1
105.07019	10.9
107.08581	25.9
109.02853	6.2
109.06496	2.1
109.10158	2.2
111.08076	1.9
117.06974	8.2
119.08569	2.7
121.06472	7.3
121.10143	3.8
125.56384	1.4
131.08554	7.5
133.02832	18.2
133.10092	18.5
135.04385	17.3
135.10750	1.6
135.11671	14.6
145.02805	2.0
148.97292	5.8
149.13213	14.3
149.71747	1.5
151.11221	1.6
159.11588	10.7
163.02510	3.7
163.03879	100.0
177.05521	1.6
177.12704	6.6
195.13800	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	195.1379
Annotation	Carvyl acetate
Peak:m/z	Relative Intensity
50.47633	1.0
52.80162	1.0
53.03942	5.6
53.76210	0.9
55.01864	5.2
55.05507	29.7
55.07932	0.9
56.96547	1.7
57.03425	12.8
57.07069	1.6
58.44076	1.3
65.03955	1.6
67.05492	71.7
68.96320	1.2
69.03423	1.7
69.07056	21.9
71.01333	1.5
71.04981	7.0
76.48286	1.3
79.05143	1.4
79.05473	51.5
81.03401	31.7
81.07039	100.0
83.04971	21.2
83.08605	9.9
85.02893	1.8
85.06529	5.2
89.44044	1.2
89.64791	1.1
91.05463	36.2
91.06004	1.7
93.07024	62.2
93.99200	1.1
95.04951	9.4
95.08594	26.9
95.38837	1.1
97.06513	10.2
97.21294	1.2
97.23372	1.3
105.07009	15.6
107.04968	1.8
107.08581	28.8
109.02891	1.9
109.06497	4.9
109.10154	2.1
111.08053	5.5
117.07013	11.4
121.06511	6.2
121.10098	9.5
123.11723	1.7
131.08571	13.4
133.10074	11.9
135.08049	2.0
135.11687	12.3
148.97415	5.3
149.13228	13.2
149.97208	2.8
151.11212	1.7
153.84338	1.1
159.11623	11.4
163.03906	13.3
171.99010	1.6
172.98897	1.3
175.66032	1.3
177.12714	8.8
183.45560	1.6
195.13766	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.53085	0.9
53.03943	2.0
55.01866	1.1
55.05509	13.8
56.96559	1.7
57.03428	1.9
57.07076	1.9
59.04981	1.5
60.11787	0.9
63.46389	0.9
67.05502	8.5
68.96326	2.2
69.03407	1.2
69.07042	6.3
71.04963	2.5
71.94079	1.3
71.95258	2.0
75.08225	1.0
77.82103	1.0
79.05486	20.0
79.42739	1.0
81.03411	27.0
81.07045	100.0
83.04965	5.7
85.02889	1.8
85.06505	1.3
86.01031	1.0
89.03821	1.1
89.05957	1.3
91.05453	4.9
92.08656	1.0
93.07031	31.5
95.04934	1.7
95.08608	17.3
97.06523	1.7
99.04488	1.1
101.05988	1.4
105.07012	2.2
107.04961	1.6
107.08588	24.9
109.02899	13.8
109.98923	1.6
117.07000	1.4
119.08571	2.2
121.06491	4.8
121.10138	5.0
126.82737	1.1
130.96310	2.8
131.08551	2.4
131.96152	4.8
133.02844	2.4
133.10120	6.9
135.04373	2.2
135.08090	1.4
135.11681	41.9
148.97356	9.4
149.01193	1.5
149.13280	5.6
149.97179	14.0
159.11642	6.2
159.46718	1.1
163.03886	33.5
167.02350	1.8
171.98885	6.3
172.98720	2.4
177.12750	10.9
195.13803	11.5
211.98878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03937	3.4
55.01918	1.7
55.05506	26.9
56.96568	2.1
57.03430	7.7
57.07056	1.7
62.27451	1.6
65.03919	3.3
67.05494	76.3
67.05851	2.9
67.45082	1.6
69.07051	21.0
71.04981	3.7
79.05052	3.3
79.05479	56.9
81.03412	20.2
81.07040	100.0
83.04976	33.0
83.08619	10.7
85.06527	2.5
91.05460	34.6
93.07020	79.7
93.07569	3.2
95.04974	8.7
95.08572	34.3
97.02251	1.8
97.06509	11.7
105.07021	15.1
107.08591	29.2
109.02861	3.4
109.06527	4.2
111.06501	1.7
111.08057	2.7
117.07022	17.1
121.06500	3.7
121.10143	7.4
130.96333	2.2
131.08549	18.8
131.96083	2.3
133.10120	17.1
135.07941	2.5
135.11659	18.4
148.97380	2.2
149.13246	12.9
150.10040	1.6
153.63258	1.9
159.11647	14.5
163.03857	12.9
177.12701	3.8
195.13814	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	10.9
53.04160	1.8
53.83015	1.5
55.01863	7.3
55.05502	34.2
55.62436	1.5
56.96557	3.0
57.03427	12.0
57.07061	6.8
59.39997	1.8
65.03904	1.7
65.71288	1.6
67.05489	89.6
68.96329	3.1
69.03423	3.1
69.07051	20.8
69.96197	1.7
71.04977	11.5
71.95250	2.7
73.65385	1.6
79.05473	65.9
80.29678	1.5
81.03396	54.1
81.07035	100.0
83.04961	37.0
83.08608	11.3
85.02883	2.9
85.06529	2.4
86.02773	1.4
89.06023	1.8
89.43642	1.5
91.05457	40.1
93.07023	70.6
95.04950	13.5
95.08577	36.9
97.06511	13.1
98.00792	1.4
105.07005	14.4
107.08574	31.3
109.02871	13.2
109.06480	3.9
109.10152	2.5
111.08020	2.2
117.06996	16.3
119.08605	6.1
121.06450	11.7
121.10097	6.4
127.99919	2.2
130.96277	4.0
131.08540	15.8
131.96126	7.5
133.02853	7.9
133.10121	13.4
133.33952	1.6
135.04416	3.9
135.08023	1.9
135.11661	18.1
148.97314	16.4
149.01158	6.7
149.13245	14.8
149.97171	22.0
151.11250	1.7
153.97943	1.8
159.11646	15.8
163.03856	45.4
171.98950	8.3
172.98799	3.5
177.05438	1.8
177.12756	7.0
195.13783	17.6
199.73502	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03950	1.3
55.05502	13.9
57.07053	2.9
59.04993	1.6
59.17301	1.0
59.97702	1.1
67.05494	17.8
69.07048	15.7
79.05471	8.7
81.07039	26.8
83.04962	5.2
83.08627	3.0
85.06513	1.3
91.05457	15.5
91.70734	1.1
93.07024	30.6
95.04957	2.2
95.08588	52.5
95.46625	1.2
99.04443	1.3
100.03362	1.2
104.02960	1.2
105.07014	49.7
107.08578	22.8
109.06524	4.9
109.10138	28.9
111.08105	1.5
117.07021	2.6
119.08558	100.0
120.00420	1.2
121.10121	18.1
123.08004	5.8
125.20818	1.3
131.08539	4.8
133.10106	66.4
135.11626	14.4
137.09592	6.8
145.10124	5.6
147.11678	12.0
149.13239	17.0
151.14798	2.8
160.12450	1.5
174.06314	1.3
175.14790	81.6
193.04964	2.5
193.15840	28.6
205.19891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0864
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
52.82600	0.3
53.03941	6.4
53.67032	0.3
55.01871	0.4
57.03434	5.3
61.02915	1.6
64.33172	0.3
67.05464	0.3
69.03418	10.0
71.01323	0.4
71.04980	10.5
73.02898	1.2
75.04461	1.6
75.45345	0.3
81.03401	100.0
83.01334	0.4
83.04958	0.3
84.04492	0.6
84.08128	2.0
85.02887	11.8
86.09685	0.5
91.03933	0.4
95.04997	0.3
97.02883	0.6
99.04438	5.5
101.02407	0.3
109.02865	45.8
111.04453	0.4
113.05997	0.7
115.03973	0.3
121.06521	0.4
121.63017	0.3
126.59805	0.4
127.03886	5.8
131.96112	0.4
141.05463	0.6
163.04044	0.4
173.29753	0.3
195.07686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.01564	0.3
50.76999	0.4
53.03934	2.0
55.01851	0.4
55.05504	9.9
56.94273	0.3
56.96553	0.3
57.03438	0.5
57.07058	1.6
57.90549	0.3
59.04985	2.3
60.33052	0.3
61.02671	0.3
65.03903	0.3
67.05145	0.4
67.05490	7.9
69.03413	0.9
69.07053	6.2
71.04974	5.6
79.05472	5.6
80.57451	0.3
81.03404	14.1
81.07037	10.1
81.26785	0.4
83.04965	4.0
83.08598	2.4
85.02872	0.5
85.06505	0.5
91.00341	0.3
91.05457	12.6
93.07022	14.8
95.04948	9.8
95.08589	12.7
97.06512	0.5
99.04453	1.8
99.08069	1.5
101.06009	0.7
105.07013	20.7
107.04910	0.7
107.08575	21.6
109.06512	2.8
109.10141	8.2
111.04464	0.5
111.08093	0.4
113.09613	0.6
115.05433	0.7
117.07021	0.8
117.67984	0.4
119.04974	0.4
119.08557	31.0
121.10118	2.9
123.08048	1.5
123.11677	3.5
129.06969	2.2
131.08556	3.2
133.10106	100.0
135.11668	32.1
137.05940	1.5
137.09575	2.6
142.07764	2.3
145.10097	2.0
145.36818	0.3
147.08025	0.6
147.11659	7.0
149.13232	0.7
151.14767	0.8
157.10043	3.0
160.12459	0.7
175.11269	3.3
175.14786	34.3
193.08582	0.6
193.12270	2.6
193.15820	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03928	5.2
54.81673	1.1
55.01846	1.6
55.05503	20.4
56.96568	1.1
57.03423	2.2
57.07055	1.8
65.03914	1.3
67.05489	27.6
69.07050	28.9
71.04977	13.9
71.80870	1.3
77.03901	1.5
79.05464	21.0
81.03396	33.0
81.07034	26.5
81.07822	1.4
83.04967	7.5
83.08595	3.0
85.02908	1.5
85.06562	4.0
91.05450	46.2
93.07020	36.9
95.04942	36.7
95.08582	20.2
97.06507	5.2
97.10130	5.0
99.08060	2.3
103.05460	1.6
105.07011	40.5
107.04916	4.6
107.08585	25.2
108.55740	1.2
109.06496	55.3
109.10140	15.3
111.04424	1.3
111.08041	3.0
117.06958	4.9
119.08549	49.2
121.10108	9.0
123.08022	6.9
123.11678	8.6
129.06981	6.7
131.08525	8.9
133.06473	2.5
133.10098	100.0
134.17117	1.2
135.11659	27.3
137.05948	8.4
137.09593	8.1
140.58136	1.1
142.07689	2.9
145.10083	1.6
147.08018	5.4
147.11644	14.4
149.09612	10.0
149.13217	1.5
151.11259	1.6
157.10078	9.1
173.90883	1.2
175.11156	11.5
175.14801	30.5
193.12163	14.2
193.15820	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03935	0.8
55.05505	11.1
57.07054	2.0
57.25097	1.0
59.04974	1.5
66.09210	0.9
67.05499	12.1
69.07052	38.7
69.09381	1.0
69.97577	0.9
71.04975	14.5
79.05460	6.0
81.07040	22.4
83.04956	2.0
83.08601	1.7
85.06551	7.8
91.05454	6.2
93.07026	24.7
95.04946	32.9
95.08591	19.9
97.06486	4.0
97.10159	8.9
99.08054	5.6
105.07004	9.4
107.08573	27.9
109.06501	100.0
109.10148	19.3
111.08053	5.9
111.11710	2.0
119.08557	22.7
121.10114	7.0
123.08064	5.0
123.11689	13.7
133.10101	15.7
135.11661	26.1
137.09618	10.3
147.11700	1.4
149.13257	5.6
151.11163	4.3
154.43468	1.0
175.14795	24.2
193.14067	1.9
193.15846	48.6
200.88766	1.0
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
53.03944	2.2
53.47694	2.3
55.05508	59.9
57.07063	3.1
59.04981	5.1
64.57851	2.7
65.03930	2.5
65.70065	2.4
67.05495	27.0
69.07058	16.0
72.08148	4.6
79.05474	27.4
81.07043	72.6
81.17822	2.5
83.04967	100.0
91.05467	15.1
93.07029	16.1
95.04976	3.8
95.08601	31.5
105.07018	25.1
107.08580	16.3
109.06496	14.4
109.10154	28.4
111.08043	3.3
119.08556	34.4
121.10151	10.5
123.08067	4.9
123.11679	4.7
133.10118	26.0
135.11694	17.5
137.09615	12.1
147.11681	10.7
149.13304	3.6
175.14847	19.2
193.15866	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	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
54.81554	1.0
55.05504	14.4
57.07078	7.4
67.05494	14.8
69.07051	16.3
72.08118	1.0
72.78098	0.9
79.05491	8.2
81.03398	1.4
81.07041	24.8
83.04963	7.6
83.08589	4.6
85.06487	1.5
88.51163	0.9
91.05463	21.1
92.90809	1.0
93.07019	20.2
95.04927	5.2
95.08582	29.5
99.08055	7.6
103.05399	1.4
105.07014	63.3
107.04938	1.1
107.08572	28.2
109.06500	4.9
109.10141	25.7
117.06984	2.5
119.08559	100.0
121.10117	35.2
123.08046	1.9
123.11671	2.5
131.08571	10.5
133.06531	1.5
133.10107	76.9
135.11667	11.3
137.09589	7.7
143.80008	1.0
145.10104	5.9
146.10883	5.0
147.10472	1.3
147.11665	38.8
149.13235	20.4
151.14806	6.2
160.12473	1.1
173.13246	1.1
175.14789	97.3
193.12108	1.3
193.15863	16.5
204.85429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.74281	0.8
53.03928	1.1
55.05505	13.0
57.03451	1.1
57.07061	6.7
59.04989	1.7
67.05493	17.6
69.03420	1.7
69.07059	18.7
72.08134	8.9
79.05486	9.3
80.38514	1.2
81.07046	29.7
83.04975	5.3
83.08612	5.0
85.06566	1.4
91.05453	17.2
92.09287	1.6
93.07022	37.3
95.04958	5.4
95.08591	54.6
97.06501	1.8
99.08047	1.4
101.60727	1.1
103.20825	1.0
105.07011	56.4
106.07356	1.3
107.08578	29.9
109.06478	2.7
109.10148	25.8
111.04472	2.2
111.08068	4.5
117.06993	2.3
118.19569	1.2
119.08562	100.0
121.10126	19.3
123.08053	4.7
123.11681	2.7
131.08569	5.7
133.10114	64.4
135.11674	18.5
137.09596	8.4
137.13254	1.4
145.10063	1.6
147.11668	14.1
149.13243	22.2
151.14803	8.3
160.12494	1.6
175.14781	83.5
193.15851	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	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01867	0.4
55.05504	3.4
56.96555	0.4
57.07060	0.7
59.04977	0.3
60.26997	0.3
63.27098	0.3
65.03929	0.3
67.05480	3.1
69.03403	0.6
69.07056	4.5
71.04980	4.4
71.26571	0.3
79.05473	3.6
81.03413	0.5
81.07039	8.9
83.04965	1.5
83.08600	0.7
91.05463	6.2
93.07018	12.8
95.04954	2.3
95.08585	11.7
97.06492	0.5
99.08067	1.3
101.05943	0.3
105.07003	12.8
107.08573	23.8
109.06496	1.4
109.10147	6.2
111.04490	0.4
113.09638	0.8
117.07005	1.7
118.07764	0.4
119.08556	27.1
120.09352	0.4
121.10120	2.5
123.08027	0.8
123.11684	3.3
131.08545	2.0
133.10104	100.0
135.11662	35.1
135.13196	0.5
137.09590	1.5
145.10080	1.7
146.10867	0.4
147.04375	0.6
147.11659	4.9
149.13278	0.5
157.10052	0.4
160.12479	0.7
173.13669	0.3
175.14783	30.8
193.12238	0.4
193.15831	5.5
198.85373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03946	3.9
54.81283	2.8
55.05505	92.1
56.96556	20.7
57.03424	4.8
59.04986	20.9
61.92521	3.3
65.48042	3.6
67.05484	19.3
69.03419	14.8
69.07053	19.4
71.04967	16.1
79.05469	18.6
81.03396	8.3
81.07041	18.3
83.04964	35.9
91.05469	50.2
91.38342	3.3
93.07027	39.4
95.04970	17.6
95.08583	21.8
99.04451	17.7
101.06010	14.7
105.07009	99.6
107.08586	16.9
109.06510	8.1
109.10154	18.7
111.04459	14.5
115.05447	4.1
116.03094	4.0
117.06991	5.5
119.04868	4.1
119.08556	74.1
121.10087	5.6
123.08047	4.4
123.11750	6.2
129.05484	5.3
131.08543	8.9
133.06461	4.0
133.10117	100.0
135.11710	15.8
137.05962	5.4
137.09602	4.6
142.07768	17.4
145.10141	4.9
145.65315	3.5
146.97491	5.4
147.11635	31.9
149.13229	4.7
157.10120	22.9
158.41809	3.2
161.05838	3.1
175.11156	27.7
175.14807	23.1
193.05067	4.3
193.12227	16.6
193.15901	6.8
197.04753	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.06650	1.3
53.03926	2.1
55.01873	1.4
55.05506	95.0
57.03421	2.7
59.04988	20.7
62.24027	1.2
66.90887	1.2
67.05495	6.8
69.03401	1.3
69.07043	5.7
71.04984	12.5
79.05472	9.5
81.03392	3.0
81.07036	8.7
83.04968	27.3
84.14309	1.3
91.05466	31.6
93.07016	32.7
95.04930	9.5
95.08549	2.3
99.04430	17.4
101.06006	23.2
103.05421	1.5
105.07011	100.0
107.08575	8.3
109.06538	2.0
109.10136	5.3
115.05471	2.5
117.06997	5.5
119.04901	6.0
119.07716	2.4
119.08557	56.9
120.42335	1.6
129.07028	2.5
131.08525	8.5
132.15918	1.4
133.06491	2.9
133.10101	96.8
135.11707	5.6
137.09625	2.3
139.65163	1.3
141.06978	1.5
142.07767	25.6
145.10114	2.3
147.08028	1.8
147.11691	22.8
157.10094	24.1
175.11136	24.5
175.14803	6.1
193.12288	7.5
193.15797	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
55.01842	2.7
55.05495	7.3
56.96556	22.2
65.03925	3.6
67.05479	13.3
69.03407	3.6
72.03397	3.0
79.05475	19.1
81.03381	13.7
81.07035	13.5
83.04970	4.1
91.05475	44.5
93.07034	30.0
95.04934	19.9
95.08582	6.6
97.06504	4.7
102.15749	2.8
105.07019	76.1
107.04934	3.0
107.08577	23.5
109.06501	5.6
117.06989	4.5
119.08572	66.6
121.10172	27.2
123.11639	3.1
128.86884	3.4
129.06932	5.0
131.08546	12.6
133.06421	4.0
133.10110	100.0
135.08037	20.3
135.11647	3.0
141.05624	6.0
142.07745	6.6
147.08037	5.2
147.11659	54.7
149.09596	14.2
150.06216	4.6
151.11192	4.1
157.10100	12.9
167.91362	3.3
175.11160	22.9
175.14742	5.6
193.12218	25.4
193.15900	5.3
212.15553	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.91376	1.6
53.03942	3.1
53.85155	1.3
55.01871	2.3
55.05508	78.7
56.96550	4.0
57.03424	2.1
59.04732	1.9
59.04986	18.4
62.24369	1.4
65.03925	1.8
67.05496	13.4
69.03415	9.6
69.07050	6.9
69.91151	1.4
71.04991	13.2
79.05484	15.6
81.02634	1.5
81.03381	3.5
81.07038	14.3
83.04972	32.4
84.96033	2.7
85.06558	2.0
91.05467	41.8
93.07014	30.2
95.04945	11.7
95.08593	8.3
97.02910	1.9
99.04427	13.7
101.06007	19.6
103.05458	2.2
105.07015	100.0
107.08596	12.5
109.06534	3.2
109.10172	6.4
110.55608	1.6
111.04469	3.5
114.42804	1.6
114.67098	1.7
117.06982	3.1
119.04911	3.0
119.08557	54.5
123.11706	2.2
129.05463	2.6
131.08556	10.8
133.06476	6.7
133.10106	89.3
135.11661	6.5
137.05959	3.0
137.09630	2.3
142.07794	20.9
145.10109	2.8
147.08084	2.1
147.11644	27.3
151.07544	2.2
157.10092	25.9
158.54573	1.6
175.11211	23.7
175.14757	13.8
189.87811	1.8
193.08607	2.2
193.12265	8.4
193.15808	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03939	2.7
55.01851	2.6
55.05497	13.5
57.03428	19.4
62.24559	1.7
63.40969	1.7
64.33292	2.0
65.03951	2.4
67.05478	12.4
69.03403	11.9
69.07036	9.7
71.04978	3.4
79.05482	21.5
81.07042	77.5
83.04958	27.1
85.02906	5.1
85.06522	3.3
86.29424	2.1
91.05448	21.2
93.07019	12.3
95.04932	18.7
95.08595	12.1
95.14487	1.9
95.72538	2.5
96.64452	2.0
97.06540	2.5
105.07018	28.9
106.30292	2.0
107.08569	28.9
109.06503	100.0
109.10152	11.4
110.07284	3.8
114.37059	2.1
117.06974	3.7
119.08560	69.8
121.06464	11.0
121.10107	3.2
122.07242	2.4
123.08057	20.0
123.11732	5.4
129.44507	2.2
133.10110	12.4
135.08043	32.7
137.05963	9.3
137.09625	16.4
142.07776	4.5
145.06461	13.9
146.07240	4.0
147.08002	9.2
147.11676	30.5
151.11171	26.1
159.08041	3.3
160.04988	10.6
160.08792	44.4
161.05420	69.6
175.11168	91.5
193.07976	9.8
193.12210	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03942	6.5
54.69011	2.6
55.01863	3.9
55.05492	18.3
56.96555	4.9
57.03436	23.1
57.07066	3.0
59.04984	12.1
65.03922	3.4
67.05482	21.7
68.99741	3.5
69.03426	22.2
69.03708	2.6
69.07047	6.9
71.04959	4.0
72.08135	12.1
79.05062	3.0
79.05460	21.4
81.07040	72.3
83.04977	39.1
85.02879	17.0
85.06528	4.8
85.56327	3.0
91.05462	20.7
92.08695	3.6
93.07023	16.4
95.04962	20.7
95.08581	15.1
97.06498	3.7
98.97543	3.0
99.63327	3.1
103.05465	4.6
105.07036	39.8
107.04874	2.9
107.08595	27.1
109.06512	100.0
109.10137	12.2
111.04425	13.6
119.04854	2.5
119.08555	71.6
123.08057	13.9
123.11721	4.2
125.13395	3.1
129.05476	5.1
133.02795	3.0
133.06488	3.9
133.10091	14.6
135.08040	23.8
136.51741	2.8
137.05931	16.1
137.09576	16.9
142.07774	5.1
145.06499	11.5
146.07245	5.0
147.08049	10.8
147.11678	26.6
151.07503	3.4
151.11166	29.4
160.08806	37.8
165.12704	6.2
175.07625	4.6
175.11157	81.4
181.24147	3.0
193.05084	4.1
193.12207	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05507	84.4
56.96545	1.0
57.03428	1.4
59.04993	21.9
67.05499	5.6
69.03415	2.0
69.07050	2.4
71.04991	14.3
79.05474	7.9
81.03403	3.6
81.07051	6.6
83.04968	27.5
91.05462	28.3
93.07028	25.7
95.04959	7.5
95.08598	2.3
97.06514	1.0
99.04430	14.5
101.06000	22.3
103.05415	1.2
105.07016	100.0
107.08585	7.4
109.06506	2.4
111.04407	1.3
116.06220	1.0
117.07008	4.3
119.04926	6.0
119.08560	50.0
122.09539	1.2
123.85480	1.0
129.06996	4.7
131.08530	6.4
133.10109	79.7
135.11612	1.7
137.09622	1.3
141.07004	1.0
142.07762	23.2
144.83910	1.0
145.10066	2.3
146.97493	1.0
147.07999	1.7
147.11682	19.0
157.10083	22.1
165.12950	1.0
175.11157	27.3
175.14757	7.4
193.12207	4.2
193.15900	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.28894	2.3
53.03939	2.4
55.01856	5.3
55.05506	16.5
56.24980	1.8
62.30930	2.1
65.03918	2.7
67.05499	38.1
69.07051	20.6
71.04980	10.2
73.18185	2.0
79.05482	29.9
81.03394	38.7
81.07043	28.9
83.04979	5.1
83.08604	5.1
85.06548	3.6
91.05463	70.2
92.09321	6.7
93.07021	39.0
95.04945	33.8
95.08595	10.3
97.06522	4.6
98.96844	2.0
105.07018	45.1
107.04919	3.3
107.08590	19.5
109.06519	29.3
109.10140	10.5
111.04513	1.9
111.08032	2.9
112.60059	2.0
114.37130	2.2
119.08567	42.4
121.10115	5.0
122.53429	2.1
123.08109	2.5
129.06973	18.6
131.08553	23.5
133.06483	3.8
133.10107	100.0
135.11699	15.7
142.07770	2.4
147.08072	2.6
147.11664	20.0
149.09624	20.5
153.06479	2.4
157.10091	22.8
175.11104	23.8
175.14798	18.2
193.12260	26.0
193.15883	12.0
209.18196	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	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.17484	0.4
53.03928	3.5
55.01854	0.9
55.05501	6.2
57.03428	100.0
57.07074	0.7
57.61670	0.5
65.03925	1.3
66.30160	0.5
67.05490	11.5
69.03406	2.3
69.07050	1.2
75.04459	4.8
77.03919	0.6
79.05468	10.8
81.03405	0.8
81.07032	6.4
83.04924	0.9
85.06509	4.9
91.05460	55.1
91.93909	0.5
93.07020	40.6
94.08302	0.5
94.53727	0.6
95.04942	14.1
95.08579	4.1
97.06533	0.7
97.42427	0.7
103.05409	2.5
104.06233	0.8
105.04496	1.3
105.07010	21.6
107.04957	4.4
107.08570	3.9
109.06484	2.4
109.10134	6.3
111.04446	1.0
111.08079	0.7
111.88907	0.5
114.37417	0.6
115.05422	3.0
116.06184	0.6
117.06984	10.4
119.08558	57.2
121.05599	1.0
121.06476	26.4
121.07327	1.3
121.10124	0.7
129.06985	3.1
131.04884	2.3
131.08524	1.4
132.05695	1.1
133.06468	5.5
133.10118	13.3
135.08044	1.2
135.11662	0.6
137.09576	8.1
141.06929	0.7
142.07753	5.9
144.20010	0.5
145.06404	4.4
145.10106	1.3
146.07237	9.4
147.08025	21.7
147.11662	14.4
151.14838	0.6
157.10106	2.8
160.08797	2.4
169.62619	0.5
175.11145	15.8
175.14755	5.2
185.80287	0.6
193.12219	3.1
193.15933	0.9
196.60008	0.7
208.81898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.98180	1.7
53.03913	1.8
55.01853	1.9
55.05510	17.2
56.96555	8.9
57.03425	2.5
57.07060	3.0
59.04968	2.5
62.13697	2.3
66.62090	2.2
67.05487	18.8
69.03406	4.4
69.07052	23.6
70.58211	2.1
71.04964	4.9
72.46757	2.3
72.59627	1.9
72.93764	3.8
79.05473	23.3
81.07036	34.0
83.08595	3.2
84.57509	2.2
85.06533	5.2
87.78958	2.5
90.94846	3.5
91.05451	46.4
92.09340	2.2
93.07024	44.2
95.04951	5.0
95.08582	24.3
97.06487	4.3
99.78970	2.3
103.05422	4.5
105.03374	2.3
105.07013	79.5
106.44857	2.1
107.04979	2.8
107.08582	71.5
109.06493	19.9
109.10140	12.0
115.05436	10.6
116.06240	4.1
117.06985	46.8
119.08568	63.1
121.06465	19.2
121.10120	27.3
123.08071	4.3
127.05378	3.0
129.06966	21.8
130.07738	10.9
131.04886	4.2
131.08537	100.0
133.06552	2.1
133.10107	73.9
135.08044	16.3
135.11646	8.2
143.08551	25.2
144.09311	5.0
145.06468	24.3
145.10103	54.7
147.11662	28.2
149.01216	8.8
149.02336	4.0
149.05981	3.1
149.09586	3.1
149.13229	14.4
150.96896	2.6
155.04893	34.5
155.06082	3.3
158.07216	3.6
158.10875	31.2
161.13216	21.9
163.14799	17.3
167.02199	3.3
173.05922	57.3
173.09572	8.5
173.13225	67.2
191.07010	14.3
191.10666	10.8
191.14319	43.4
193.88187	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	192.0767
Annotation	Carbendazim
Peak:m/z	Relative Intensity
50.52966	0.1
51.02341	0.1
54.26091	0.1
56.96552	0.3
63.58252	0.1
64.33304	0.1
72.93761	0.2
90.03326	0.1
92.05007	0.2
92.08761	0.2
95.04993	0.2
99.09804	0.1
101.67016	0.1
105.04523	0.2
132.05550	2.8
132.95795	0.3
133.06354	0.6
135.05473	0.4
137.05931	0.2
150.96883	0.8
160.05035	100.0
161.05374	0.3
174.06247	0.6
192.07643	14.7
193.12251	0.1
199.06931	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	193.0342
Annotation	Citrate
Peak:m/z	Relative Intensity
54.81854	0.2
55.01864	1.1
56.87102	0.2
61.02915	3.1
65.66611	0.2
65.72381	0.2
67.01859	0.4
68.99776	69.2
69.03405	0.9
81.03390	0.5
83.01359	0.2
83.04964	1.1
85.02898	1.1
85.71387	0.2
87.00812	13.8
87.04423	0.2
97.02935	0.3
105.01833	0.3
111.00785	45.6
111.04415	0.8
115.00268	6.0
116.42419	0.2
126.49063	0.2
129.01811	100.0
130.03802	0.2
131.02145	0.2
136.08282	0.2
139.00237	48.6
147.02863	4.7
147.06514	0.3
157.01291	26.7
175.02341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05504	11.2
56.96555	15.2
57.07053	2.7
59.04985	3.5
65.03901	2.3
67.05499	15.0
69.03414	4.0
69.07049	15.1
71.04980	2.9
72.93784	3.4
79.05466	18.7
81.07040	18.4
83.08582	4.6
83.70065	2.1
90.94790	4.1
91.05464	36.8
93.07020	27.1
95.04953	9.8
95.08578	13.4
97.06523	2.7
98.97546	2.5
103.05457	3.1
105.07014	68.9
107.04899	7.4
107.08575	45.1
109.06492	8.9
109.10149	7.1
115.05478	2.6
116.98586	2.9
117.06985	16.5
119.08555	47.4
121.06497	7.8
121.10125	21.2
123.08060	9.9
123.11672	8.5
128.94827	1.9
129.06969	7.9
131.00157	3.6
131.08543	65.4
132.95770	1.8
133.10103	100.0
135.08029	18.4
135.11658	8.6
143.08566	17.6
144.09328	3.1
145.10115	37.9
147.08000	2.2
147.11670	32.8
149.01176	15.4
149.09625	7.3
149.13255	14.2
152.29309	1.9
158.10907	15.7
161.13245	4.5
163.14766	4.0
167.02252	11.5
167.97200	3.4
173.09633	4.3
173.13231	46.8
191.10616	4.5
191.14265	47.6
195.06816	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	0.5
54.81755	0.5
55.01863	0.8
55.05504	6.1
56.96555	10.9
57.03408	0.8
57.07070	0.6
63.70826	0.6
63.92415	0.5
64.70956	0.6
67.05496	4.6
69.03422	7.9
69.07053	5.4
69.07364	0.5
72.93761	1.3
79.05476	6.8
81.03416	0.8
81.07040	6.6
83.04944	0.7
83.08603	1.2
90.94817	0.9
91.05451	10.4
93.07015	8.2
95.04926	1.1
95.08583	2.8
97.06491	0.7
98.97572	1.5
100.99179	0.9
103.05430	1.3
103.69189	0.7
105.07012	20.6
107.04953	2.5
107.08580	20.9
109.06522	3.1
109.10131	5.8
112.99104	0.7
115.05431	2.8
116.98598	0.7
117.06996	3.3
118.07809	1.5
119.00156	0.8
119.08577	6.7
121.06435	2.5
121.10118	13.3
122.07260	4.4
123.08057	2.8
129.07018	1.3
130.07779	0.8
131.00133	3.1
131.04932	0.6
131.08545	13.1
133.10103	100.0
135.08044	5.4
135.11639	2.6
137.09605	20.2
143.08553	1.1
145.10150	4.8
147.08051	0.6
147.11684	5.9
149.01201	8.0
149.09607	0.8
149.13255	8.0
158.10889	4.2
159.04413	1.0
163.14761	1.1
167.02229	4.5
167.97168	0.7
173.09486	1.1
173.13251	11.3
176.04593	0.8
180.07217	1.4
191.14253	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03924	1.3
54.81530	1.5
55.01854	1.7
55.05512	12.4
56.96564	10.4
57.07056	3.1
58.65025	1.0
59.96606	1.0
67.05493	15.4
69.03427	10.3
69.07066	17.9
70.95767	1.1
71.04990	4.5
72.30561	1.2
79.05479	14.7
81.07054	15.6
82.74995	1.3
83.04963	2.9
83.08606	2.0
85.06528	2.7
90.94808	1.3
91.05463	38.2
93.07027	27.3
95.04962	9.7
95.08601	12.3
97.06520	2.1
103.05423	1.6
105.07023	59.9
107.08586	53.8
109.06479	6.3
109.10136	5.1
111.06818	1.2
115.05453	1.6
116.06210	5.3
117.07019	15.0
117.65517	1.4
119.08568	76.9
121.06474	5.7
121.10121	23.0
121.66434	1.2
123.08107	1.9
129.06979	14.3
130.07751	7.3
131.04883	1.6
131.08553	100.0
133.10118	34.3
135.08052	7.9
135.11688	7.4
137.13161	1.7
143.08537	25.1
144.09338	6.7
145.10127	42.8
147.11673	27.9
149.01205	7.9
149.09663	1.9
149.13257	8.4
158.10875	24.2
159.08061	2.2
161.13234	45.3
163.14822	10.0
167.97182	2.0
171.11670	2.1
173.09631	6.1
173.13243	62.7
173.14745	2.1
191.07025	5.2
191.10649	5.4
191.14296	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42540	2.3
55.05500	17.4
56.96553	30.0
57.03429	5.3
57.07067	2.9
57.59714	2.3
59.04996	3.2
61.63110	2.3
65.03924	3.4
67.05500	19.7
69.03403	6.2
69.07056	26.1
71.04972	3.3
71.22758	2.2
72.93768	6.7
79.05482	19.2
81.07036	24.8
83.08566	4.1
85.06521	5.7
90.81582	2.7
90.94801	6.1
91.05470	48.5
93.07039	44.2
95.04943	15.2
95.08597	32.6
97.06512	9.8
98.97566	5.1
103.05473	4.5
105.07024	100.0
107.04894	4.3
107.08581	75.8
109.06490	12.5
109.10139	13.5
110.10505	4.0
116.06216	4.7
116.98551	3.6
117.07013	17.9
119.08575	46.8
121.06487	13.2
121.10156	29.1
123.08049	6.2
129.06995	17.0
130.07718	3.0
131.00137	3.9
131.04904	5.5
131.08549	79.2
131.97392	3.1
133.10114	98.1
135.08022	20.9
135.11656	10.3
143.08534	20.9
144.09337	9.5
145.10114	44.2
147.11679	37.3
149.01176	21.4
149.05931	4.4
149.09616	10.4
149.13225	17.6
149.96075	4.0
150.96901	12.9
156.10995	3.4
158.10870	16.4
161.13223	13.0
163.14778	17.5
167.02213	6.5
167.97151	5.0
169.26234	2.8
173.09642	6.0
173.13249	58.1
191.06979	4.8
191.10661	5.6
191.14288	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.05509	23.5
56.96559	21.6
57.03425	7.3
57.07061	3.2
59.04985	2.4
66.44167	1.6
67.05498	22.2
69.03421	4.7
69.07059	29.7
70.64909	1.7
71.04978	3.1
72.29182	1.8
72.93769	4.7
73.11427	1.6
79.05479	28.8
81.06607	2.3
81.07042	43.4
83.04967	4.3
83.08604	6.7
85.06519	4.6
90.94788	2.7
91.05467	48.1
92.08637	1.7
93.07030	59.2
95.04951	11.7
95.08589	42.6
97.06506	3.8
97.10119	2.3
98.97594	3.7
103.05416	3.5
105.07028	75.0
107.04946	3.8
107.08584	100.0
109.06509	27.4
109.10126	17.9
110.10460	2.8
111.08057	3.0
112.99149	2.0
115.05416	3.0
116.06219	2.5
117.06983	18.2
118.43910	2.1
119.08565	56.7
121.06502	29.8
121.10126	38.4
123.08047	9.9
124.02790	2.2
128.04381	1.9
129.06990	12.3
130.07788	7.9
131.00150	4.6
131.04932	8.5
131.08542	72.5
133.10114	55.7
135.07986	21.4
135.11649	10.5
139.07617	2.1
143.08562	18.0
144.09367	3.6
145.06496	2.4
145.10124	47.1
147.08006	2.1
147.11661	34.3
149.01166	20.2
149.06059	6.9
149.09633	4.5
149.13231	9.5
149.96049	2.6
150.96883	4.4
158.07338	2.4
158.10878	18.3
161.13206	8.4
163.14821	21.8
167.02261	11.4
173.09584	7.8
173.13246	52.3
191.07123	1.9
191.10669	3.9
191.14294	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
54.81530	1.5
55.01854	1.7
55.05512	12.4
56.96564	10.4
57.07056	3.1
58.65025	1.0
59.96606	1.0
67.05493	15.4
69.03427	10.3
69.07066	17.9
70.95767	1.1
71.04990	4.5
72.30561	1.2
79.05479	14.7
81.07054	15.6
82.74995	1.3
83.04963	2.9
83.08606	2.0
85.06528	2.7
90.94808	1.3
91.05463	38.2
93.07027	27.3
95.04962	9.7
95.08601	12.3
97.06520	2.1
103.05423	1.6
105.07023	59.9
107.08586	53.8
109.06479	6.3
109.10136	5.1
111.06818	1.2
115.05453	1.6
116.06210	5.3
117.07019	15.0
117.65517	1.4
119.08568	76.9
121.06474	5.7
121.10121	23.0
121.66434	1.2
123.08107	1.9
129.06979	14.3
130.07751	7.3
131.04883	1.6
131.08553	100.0
133.10118	34.3
135.08052	7.9
135.11688	7.4
137.13161	1.7
143.08537	25.1
144.09338	6.7
145.10127	42.8
147.11673	27.9
149.01205	7.9
149.09663	1.9
149.13257	8.4
158.10875	24.2
159.08061	2.2
161.13234	45.3
163.14822	10.0
167.97182	2.0
171.11670	2.1
173.09631	6.1
173.13243	62.7
173.14745	2.1
191.07025	5.2
191.10649	5.4
191.14296	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.64251	0.8
55.05500	3.7
56.96556	7.3
59.05013	0.7
65.03939	0.9
67.05495	17.7
67.33178	0.7
69.03409	1.6
69.07060	5.6
71.04979	36.6
79.05473	7.4
81.07033	8.7
83.04981	1.0
83.08607	1.5
85.06535	7.2
91.05460	16.5
93.07021	10.8
95.04957	8.8
95.08583	13.6
97.06516	6.6
98.97540	0.9
103.05436	1.0
105.07021	32.2
107.04895	1.1
107.07864	1.2
107.08579	27.3
109.06516	17.4
109.10145	14.0
111.08089	0.9
115.05416	2.9
116.06203	0.9
117.06981	3.3
119.08563	10.6
121.06447	1.3
121.10132	24.9
123.08048	100.0
129.07024	2.9
130.07751	0.9
131.08549	34.5
133.10103	26.7
135.08044	18.1
135.08974	1.3
143.08525	7.7
144.09352	3.4
145.10077	9.3
147.11681	8.5
149.01208	5.7
149.09581	3.9
149.13229	6.8
158.10878	8.7
167.02301	3.2
173.13222	25.8
191.14275	21.0
191.15915	1.2
200.15517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1597
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
52.33075	0.2
53.34094	0.2
56.05029	1.6
57.03868	0.2
58.30715	0.2
60.08151	16.6
63.36363	0.2
67.05486	2.5
69.07059	0.2
72.37619	0.2
74.02424	0.9
84.08126	100.0
85.06524	1.6
86.09701	0.2
92.09367	0.4
101.00897	0.3
119.01891	1.5
126.07470	0.2
130.08615	25.7
137.03040	0.3
144.13795	2.9
161.02834	0.3
189.15942	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01849	1.5
55.05511	10.6
67.05478	6.0
68.28062	1.2
69.03413	23.3
69.07053	10.4
79.05479	11.5
81.07029	7.9
82.97549	1.3
83.04936	2.4
83.39213	1.3
91.05462	28.4
93.07025	15.1
95.04980	10.4
95.05453	1.3
95.08575	1.8
105.07014	80.8
107.08581	11.5
109.06501	2.7
115.05388	2.6
117.06989	15.4
119.04879	8.6
119.08559	100.0
119.59255	1.4
121.06503	1.7
121.10143	2.2
128.06203	10.2
129.06966	10.5
130.07762	1.5
131.08519	9.2
132.09343	2.2
132.45638	1.5
133.06441	12.0
133.10117	25.8
135.08040	11.2
141.06949	8.8
142.07729	5.5
143.08537	28.0
145.06442	7.2
145.10068	12.8
146.07251	1.4
147.08017	22.1
147.11665	45.1
151.72675	1.4
156.09322	38.7
159.08011	5.6
159.11668	7.9
160.08766	6.7
161.09564	7.5
161.13235	37.1
171.11655	38.4
174.10356	10.1
189.12697	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53107	1.8
53.00286	2.4
55.05494	10.3
55.27758	1.9
55.52102	2.0
56.96549	10.7
59.04974	2.8
60.09359	1.8
60.19059	2.5
67.05496	2.3
69.03405	10.9
71.67378	2.1
79.05470	3.7
81.07021	3.1
83.04956	3.6
91.05460	81.6
93.06993	10.3
95.04949	5.2
105.07019	45.4
106.96515	5.0
107.08575	11.4
109.06513	2.8
111.03844	5.8
111.04498	3.0
115.05463	5.8
116.06181	9.2
117.07013	10.1
119.00169	2.4
119.04902	3.6
119.08562	100.0
119.09405	5.6
124.97557	3.0
128.06194	16.4
129.06976	36.0
131.08543	80.7
133.05107	4.5
133.06448	10.5
133.10088	12.9
137.01328	2.7
141.06934	4.7
142.98601	3.1
143.08582	16.8
145.06471	4.6
145.10138	4.5
146.07274	4.1
147.08026	59.6
147.11682	21.6
156.09300	38.4
157.06454	3.9
159.07994	4.0
159.11673	4.2
160.05188	4.7
161.05956	10.3
161.09627	12.0
161.13216	12.3
171.11639	32.8
174.06731	5.9
174.10376	9.7
189.09117	22.8
189.12671	68.9
189.14185	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55428	2.3
55.05510	3.3
56.96558	4.8
57.49329	2.2
63.59394	2.4
63.83803	2.2
67.05464	4.8
69.03408	5.3
69.07073	3.7
79.05478	5.5
81.06994	4.5
83.04946	3.9
91.05470	20.4
93.07018	3.9
94.37490	2.9
95.04933	3.6
95.08598	3.8
103.05452	2.8
105.07024	32.9
107.08556	10.7
108.51160	2.6
115.05418	3.9
117.06989	6.6
119.08547	46.1
128.06209	10.9
129.06989	17.0
130.07779	5.4
131.08578	12.7
133.06491	10.8
133.10101	11.9
141.06958	12.8
143.08554	17.0
145.10127	34.4
147.08035	32.5
147.11682	32.2
156.09303	58.0
157.12560	3.0
159.08070	12.7
159.11617	10.0
160.05161	5.9
161.05980	10.5
161.13193	2.8
171.11670	44.2
174.10419	11.7
189.09074	24.2
189.12714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08027	2.2
53.00301	2.3
55.01869	84.5
55.85859	2.3
55.87892	2.4
57.03430	73.3
59.04976	6.4
60.08165	5.8
60.47971	3.2
61.02911	2.8
71.01340	77.7
71.04982	5.5
72.08129	5.6
73.02895	32.4
75.04446	3.7
76.02863	2.7
83.01329	13.2
84.08125	43.1
85.02876	3.7
87.04453	56.1
101.02364	100.0
103.03952	5.2
111.00803	16.2
113.02319	4.5
115.03913	66.2
126.09142	5.9
129.01825	39.2
130.08604	6.9
136.73351	3.0
143.03329	3.4
144.73270	3.2
157.01308	69.9
162.95351	3.0
164.64119	3.3
175.02405	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.85519	0.7
51.25505	0.7
55.05500	1.3
56.96561	10.8
65.37441	0.8
68.05811	0.7
70.06580	3.2
79.80112	1.0
83.56571	0.8
84.04481	4.9
84.96004	1.8
85.02892	1.3
91.05467	5.1
100.14204	1.0
104.90824	0.9
115.05428	9.1
116.00256	0.8
116.97233	0.8
117.07003	6.4
118.06525	100.0
128.07069	1.7
132.08078	0.9
142.06499	6.8
143.07294	20.8
144.08078	30.1
144.74406	1.1
146.05997	98.7
146.91835	1.4
170.06004	10.7
188.07037	25.0
188.08945	1.8
200.14409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.5
56.05023	1.6
57.03422	1.8
59.04979	2.1
60.04519	0.7
60.21790	0.3
61.02600	0.4
61.02915	10.7
62.70842	0.3
63.20516	0.3
69.03407	0.4
70.02926	1.7
70.90311	0.3
71.01363	0.4
71.04980	1.5
72.08104	0.4
73.49347	0.3
75.04441	0.7
75.96773	0.3
77.15429	0.3
82.06573	1.6
83.04968	4.0
84.04491	100.0
85.02892	22.6
85.03418	0.4
87.04449	5.7
96.04451	0.4
110.06042	2.7
111.04448	0.7
126.05479	3.4
128.07082	3.3
129.05487	0.6
146.08086	0.5
163.40627	0.3
184.57872	0.4
188.09148	10.1
193.97049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15876	0.5
54.81699	0.4
55.05504	0.8
56.05028	1.8
56.96555	0.8
57.03423	2.1
57.07086	0.3
59.04986	2.2
60.04514	0.7
61.02638	0.7
61.02919	11.0
69.03413	0.4
70.02934	2.4
71.04970	2.4
72.70964	0.4
82.06579	0.8
83.04980	4.5
84.04493	100.0
85.02892	20.1
87.04450	6.2
91.05470	0.4
100.07594	1.5
103.82630	0.4
110.06039	2.4
126.05498	4.8
128.07060	5.0
129.05402	0.5
133.80698	0.5
133.96101	0.4
143.05460	0.4
146.08102	0.6
171.06590	0.5
188.09166	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	189.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19412	0.4
55.01866	14.9
55.05498	0.6
56.05027	2.1
57.03429	15.1
59.04982	1.1
60.08151	14.7
61.02907	0.5
64.23902	0.4
67.05489	3.2
68.99771	0.6
70.06559	1.1
71.01337	9.5
72.04487	0.6
72.08138	5.5
73.02903	4.6
73.99977	0.6
74.07156	0.5
75.04453	0.5
79.93645	0.5
81.60224	0.5
83.01316	2.8
84.04471	4.8
84.08125	100.0
85.02901	1.1
85.06522	1.3
86.09686	0.8
87.04446	8.7
89.02380	0.6
89.36528	0.5
93.94018	0.5
95.01323	1.1
96.08118	0.9
97.08398	0.6
100.07607	0.9
100.44840	0.5
101.02357	18.7
111.00805	2.9
113.02372	0.6
114.37389	0.5
115.03888	13.5
116.07072	0.7
119.03376	0.5
124.07553	0.5
125.07908	0.6
126.09114	5.8
129.01802	4.1
130.04974	0.7
130.08614	25.3
136.77032	0.5
139.00227	1.1
143.03406	1.2
144.13818	2.2
157.01295	13.7
170.08043	0.6
171.08504	0.7
172.13243	0.5
174.76764	0.6
189.15952	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	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86097	0.2
51.69147	0.2
52.57930	0.2
56.96552	0.4
58.89635	0.2
67.28820	0.2
68.05000	0.2
70.06573	100.0
71.06899	0.2
78.99719	0.2
79.05478	0.2
85.02885	0.5
95.08553	0.3
97.00791	0.7
97.94347	0.2
98.97575	0.3
103.00592	0.3
108.27048	0.2
108.57462	0.2
114.05502	0.3
116.98656	0.2
119.02775	0.2
121.00767	3.5
121.01660	2.3
137.03894	0.4
139.01784	6.8
139.02710	0.9
142.25137	0.2
147.53485	0.2
159.25006	0.2
163.01753	6.8
167.65306	0.2
168.13797	2.1
181.02823	12.4
182.03131	0.2
186.14825	1.7
205.27966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.2
55.05488	2.1
57.03453	1.4
57.07069	94.8
58.19793	1.3
69.07047	2.1
70.93330	1.6
71.08617	36.3
74.06054	8.1
81.03341	1.9
83.08669	1.5
85.02890	2.4
85.06516	8.7
85.10152	12.1
88.02192	2.4
102.08508	2.5
102.09160	62.4
102.12787	2.0
104.99249	2.5
106.20347	1.7
114.05493	2.4
120.97903	3.0
121.01647	8.0
125.55278	1.9
126.05545	2.2
138.98943	2.3
139.02640	3.0
143.77727	1.6
181.02817	1.9
186.18501	100.0
186.22127	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	188.0706
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
53.65877	0.6
56.96555	1.6
58.53573	0.7
59.13871	0.7
60.89716	0.7
65.93897	0.8
70.06578	0.8
77.62756	0.9
89.21799	1.0
91.05455	3.9
115.05439	10.7
117.05735	1.6
117.07006	7.1
118.06525	100.0
118.11675	0.8
119.06854	0.9
142.06541	8.4
143.07306	17.5
144.08076	26.4
146.05994	95.2
170.06001	11.9
187.64720	0.9
188.07045	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0604
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
51.22970	0.2
53.33780	0.3
54.27001	0.2
55.01860	0.4
55.05499	0.6
56.96551	0.8
57.03431	0.5
60.32438	0.3
61.02893	0.5
65.03915	2.3
69.03407	1.8
70.03760	0.3
70.06565	1.9
72.08138	0.6
73.02896	0.3
80.94962	0.3
81.07053	0.4
84.08124	0.6
85.02895	0.5
92.04979	2.1
93.03394	0.4
94.06522	0.6
95.04963	0.4
96.04436	0.4
98.97571	0.4
99.02029	0.4
101.00840	8.0
104.04947	0.4
109.07022	0.3
110.06018	1.9
118.00998	0.4
119.01893	60.3
120.02003	0.4
120.04442	3.2
121.02927	0.3
122.02380	0.4
122.05957	0.4
122.07117	0.4
123.06784	3.9
137.02928	27.1
137.08308	1.2
138.05499	8.6
138.08159	0.5
138.09122	9.9
139.03857	0.4
142.03467	9.0
143.03564	0.4
148.03906	100.0
160.04550	3.4
161.02907	3.4
161.04800	0.4
166.04959	94.8
167.07004	0.4
170.98961	0.3
179.03972	6.2
184.06015	13.8
184.09618	9.4
184.13252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.22956	1.0
55.05505	1.7
57.07070	39.9
59.02039	1.0
59.04988	5.3
64.33049	1.2
67.05496	1.4
69.03413	1.4
69.07056	4.8
79.05473	14.1
81.03402	9.1
81.07050	4.7
83.04967	84.3
91.05491	1.5
93.07026	8.5
95.04941	26.6
95.05434	1.6
97.06512	49.1
98.97578	13.4
105.07012	6.0
107.04956	2.0
107.08578	10.3
113.70924	1.3
116.98597	14.4
116.99328	1.4
117.07024	2.3
117.47142	1.4
119.08566	2.4
121.10100	10.1
125.05972	100.0
130.07793	2.3
134.99626	12.3
135.11685	1.8
145.10081	11.0
153.00722	1.9
160.32813	1.4
163.11153	72.9
174.54230	1.4
181.12193	32.2
182.97874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
50.11714	1.2
50.64866	1.1
55.05223	1.0
55.05502	8.5
57.07072	47.0
59.04989	3.1
65.75596	1.2
67.05494	2.9
69.07056	11.9
74.31516	1.2
77.31383	1.2
79.05479	15.3
81.03392	12.2
81.07038	9.1
83.04968	97.9
91.05468	1.8
93.07037	7.8
95.04945	29.3
95.08556	2.1
97.06521	55.7
98.97557	7.5
105.07027	7.8
107.04965	2.8
107.08587	10.2
116.98582	13.1
119.08607	2.2
121.06498	1.7
121.10139	10.8
125.05980	100.0
130.07730	2.2
134.99632	10.5
135.11690	5.1
144.14706	1.5
145.10133	8.1
153.00729	2.2
163.11166	78.9
163.14883	1.3
181.12215	33.1
181.15839	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03928	2.2
53.89605	2.3
55.05503	2.5
63.41693	2.0
65.03892	3.8
67.05495	26.9
69.07047	5.2
79.05464	40.1
80.04967	3.1
81.07038	56.1
86.02415	6.2
89.19579	2.3
91.05471	5.6
93.05767	9.5
95.04955	3.1
97.06491	10.7
98.97583	21.6
99.83653	2.1
99.97883	10.2
107.07285	4.6
108.04477	3.6
108.08104	76.4
109.06496	10.7
110.06025	3.4
116.98629	18.4
117.98930	5.3
121.05217	4.5
125.05949	27.6
126.05463	32.6
126.09112	12.2
128.03218	2.2
134.99603	5.6
135.99976	2.9
136.07552	100.0
137.05945	3.0
152.47354	2.8
153.07796	3.1
154.08611	29.7
158.85452	2.4
164.07036	85.0
182.08090	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
54.47544	0.8
55.01866	16.5
55.05521	1.0
57.03428	14.3
61.02914	9.8
69.03417	52.6
71.02560	0.8
71.04962	1.4
73.02892	10.5
81.03390	4.4
85.02891	100.0
87.04440	0.9
92.08706	1.8
97.02867	27.5
99.04430	11.7
101.02351	11.3
103.03882	1.3
107.62321	1.0
109.02834	2.0
115.03907	2.0
127.02972	1.9
127.03900	54.9
133.25067	0.9
145.04913	21.7
150.97311	0.9
163.06006	5.5
172.42406	1.0
183.30888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1226
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
54.63938	0.3
56.96550	0.4
65.42207	0.4
67.05505	0.4
68.01293	0.3
80.05027	0.4
92.04984	0.6
98.97528	0.8
105.07053	0.6
107.08569	0.5
112.14931	0.4
115.05594	0.4
117.06973	1.6
118.06520	12.6
118.96738	0.7
119.07301	12.1
125.73539	0.4
126.34610	0.5
132.08093	1.5
134.09633	83.2
144.95464	0.4
156.69704	0.4
160.11182	2.1
162.09134	3.3
163.09830	0.7
172.57660	0.4
176.56407	0.4
178.12238	100.0
193.36768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34124	0.6
74.67268	0.6
82.99821	0.9
97.48169	0.6
100.02469	1.2
101.00213	0.7
101.00854	16.2
119.01896	100.0
121.68742	0.6
133.03418	4.2
137.02936	34.7
151.04500	1.3
156.05040	1.4
161.02882	10.7
179.03967	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	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
54.81637	0.4
55.01855	1.9
55.05495	0.8
56.96550	2.6
57.03421	0.6
58.99562	2.0
61.23531	0.4
62.69700	0.4
65.03927	3.1
67.02983	0.6
67.05474	0.8
69.03400	1.0
70.06561	0.8
71.27641	0.4
73.02899	0.7
76.02219	7.8
79.05483	0.7
81.07044	0.7
84.08126	2.7
85.02906	1.0
91.05463	49.0
91.16318	0.4
93.49881	0.5
95.04947	1.0
97.02811	0.7
98.97546	2.3
100.99139	0.4
101.05949	0.9
105.07019	0.8
107.04873	0.6
108.05630	1.0
108.17052	0.6
111.02666	0.8
111.46346	0.6
116.08401	0.7
116.10708	4.6
116.98550	0.7
117.11057	3.3
119.01915	2.7
119.04924	88.4
126.06579	1.0
127.56187	0.5
133.06480	0.8
134.99597	0.5
136.05107	1.0
137.02953	0.7
137.05959	6.2
147.04395	100.0
151.03877	0.5
151.07544	2.4
152.04543	2.7
153.66643	0.5
164.04691	1.9
168.84029	0.6
179.05620	4.6
179.07002	10.2
180.04057	0.9
180.26669	0.6
197.29901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1225
Annotation	Phenmetrazine
Peak:m/z	Relative Intensity
51.01383	1.2
53.00279	1.3
53.03946	1.5
55.01857	1.2
55.05498	5.2
56.05818	3.2
56.28389	1.1
56.96564	10.9
57.03401	2.1
57.07055	1.4
59.58563	1.1
67.05469	2.9
68.05816	1.7
69.07029	6.5
70.07381	2.7
70.10214	1.3
78.77902	1.5
79.05485	26.4
80.05789	6.9
81.07016	8.3
82.07355	6.5
88.02199	11.4
91.05460	11.4
92.05772	9.4
93.07021	12.8
94.07356	17.0
95.04913	3.1
96.08890	2.8
101.47889	1.3
103.05434	9.3
105.07018	100.0
106.07353	3.2
107.08555	9.2
108.05246	2.4
108.08884	6.9
109.06419	1.6
110.06849	1.4
117.06972	2.3
118.07368	4.2
118.87428	1.5
118.96736	1.4
119.08529	7.1
120.08885	2.4
132.08836	6.3
133.06479	55.4
135.08031	22.2
151.07497	15.5
160.11952	2.3
163.03853	9.0
178.12199	75.3
178.15776	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03927	1.6
54.87510	0.7
55.05269	0.9
55.05503	18.6
56.96551	4.5
57.07051	1.8
67.05492	16.8
69.07056	44.6
73.12193	0.7
74.29624	0.6
79.05474	29.3
80.78096	0.7
81.07040	30.1
83.08608	17.4
88.02190	1.5
89.03870	3.4
91.05453	12.9
93.07022	59.7
95.04935	1.7
95.08585	56.6
97.10126	4.6
98.97562	11.4
100.34636	0.7
105.07010	8.7
107.08581	77.4
109.06496	3.3
109.10139	24.9
116.98612	11.3
117.03341	4.6
117.06968	0.9
119.08572	3.9
121.10123	80.0
122.93094	1.0
131.08519	1.4
133.10097	4.2
134.99657	9.0
135.11671	29.0
145.02789	4.2
147.11641	0.9
149.05959	3.4
149.13268	8.3
153.00684	1.6
159.11702	4.1
177.05447	4.7
177.09058	5.9
177.12764	4.2
177.16356	100.0
199.77383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0862
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
56.96550	1.8
71.27081	0.4
88.02188	4.5
91.05463	0.9
95.06055	0.4
98.97607	0.5
104.05000	0.7
105.06989	0.6
106.06538	0.4
115.05431	8.0
116.04905	0.4
116.98690	0.5
117.05748	4.5
118.06519	11.4
118.31796	0.4
118.96722	1.7
120.08089	1.0
121.10072	0.6
132.04431	26.1
132.08069	48.3
134.96449	0.4
134.99637	0.5
135.36111	0.4
140.04951	1.9
142.06508	15.4
149.02274	1.7
160.07553	100.0
161.07829	0.6
178.08595	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	177.1273
Annotation	7-Methoxy-1-methyltetralin
Peak:m/z	Relative Intensity
55.05487	1.0
55.56591	0.6
56.05581	0.6
59.04988	0.9
67.00505	0.6
67.05482	4.7
69.07052	9.9
71.04962	2.9
76.89532	0.6
79.05479	8.7
81.07027	2.7
89.03881	1.1
91.05457	16.8
93.07055	5.0
95.04946	1.3
95.08579	3.4
97.06538	0.8
98.97546	3.5
99.08067	1.4
103.05416	5.2
105.07009	26.7
105.07665	1.4
106.38319	0.6
107.08583	7.3
108.05711	0.6
109.06499	2.8
109.10092	0.7
115.05433	2.8
116.06190	1.1
116.98584	1.3
117.03342	1.0
117.06990	20.7
119.04900	1.4
119.08569	5.5
120.05683	1.6
121.06478	35.0
121.10121	3.9
123.08042	4.6
130.07765	4.7
131.08553	0.9
133.06442	1.0
134.07185	0.9
134.99594	1.1
135.08028	97.1
135.11626	1.0
136.08798	15.5
145.02756	1.3
145.10095	23.0
147.04372	1.2
147.11629	1.0
148.08800	2.7
149.09599	16.5
157.68362	0.7
177.05421	1.0
177.12706	100.0
177.16243	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	Cinnamyl acetate
Peak:m/z	Relative Intensity
51.21612	0.3
56.96547	0.7
62.34178	0.3
67.05512	0.4
75.45863	0.3
79.05453	0.6
81.03384	0.4
89.03901	0.6
91.05466	4.1
92.09280	0.7
93.07005	1.4
95.08555	0.7
98.97549	3.3
103.05439	0.7
105.07000	0.6
107.08552	0.5
115.05424	4.3
116.06208	3.9
116.98571	2.2
117.03356	1.6
117.06992	16.0
119.04915	1.7
121.06473	2.2
121.10102	1.4
132.35675	0.4
133.06482	4.1
134.07234	5.5
134.99626	1.5
135.07993	2.4
144.05702	2.4
145.02780	0.8
145.06444	2.3
147.04355	0.7
149.09557	1.4
161.05946	1.5
162.06728	16.8
177.09070	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02354	2.1
54.81370	3.0
55.05510	5.1
56.96553	3.8
57.03426	9.6
57.28549	2.3
65.03922	2.5
67.05501	38.6
69.07057	14.2
76.47496	2.1
79.05477	52.9
81.03427	5.1
81.07043	63.8
83.04949	3.5
83.08613	3.7
85.78431	2.8
91.05472	45.6
93.07030	81.4
95.04939	19.9
95.08586	15.2
97.06512	10.1
98.97565	10.4
105.07024	31.0
107.08577	31.9
109.06505	4.1
116.98598	12.5
117.07003	25.8
119.08591	3.9
121.06485	2.8
121.10114	23.6
129.07030	2.7
131.08556	45.7
133.10095	46.2
134.99617	2.3
135.08041	13.4
135.11674	10.2
147.67105	2.2
149.09601	3.4
149.13240	27.3
159.11676	60.4
175.07663	2.4
177.12726	100.0
177.14153	4.9
177.16406	8.7
184.98152	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.96326	0.6
56.96566	8.3
60.02624	0.6
69.03402	1.6
74.18731	0.6
78.04683	3.7
78.08959	0.6
78.90210	0.5
79.05447	0.9
81.03391	3.6
85.02876	0.9
89.03900	63.4
91.05453	4.8
95.04900	0.7
97.02881	1.1
98.97560	37.4
103.05399	1.0
106.04146	4.5
107.04952	0.9
109.02853	0.9
115.31043	0.7
116.98603	26.5
117.03358	100.0
124.05170	1.0
134.03609	13.9
134.76064	0.8
134.99628	16.8
135.04362	7.4
145.02827	97.6
147.03282	0.7
149.05962	29.4
153.00659	2.7
162.03099	0.8
163.03908	0.8
177.05441	32.2
180.92386	0.6
186.05338	0.7
191.05975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03945	0.9
54.81471	0.4
56.96557	4.5
57.03430	0.6
63.02353	0.8
69.03420	0.7
69.48151	0.5
71.01371	0.5
71.04971	1.0
73.02882	0.9
78.04700	3.6
81.03395	4.4
85.02897	1.0
87.04473	0.4
89.03897	60.8
91.05463	4.2
91.44695	0.5
95.04971	2.0
98.97565	20.1
103.05461	1.1
105.07031	0.5
106.04171	4.5
107.04942	1.2
109.02859	2.1
115.00715	0.6
116.98597	17.6
117.03358	100.0
118.03622	0.8
119.04904	0.7
121.06493	0.6
124.05273	0.6
134.03606	12.2
134.99648	7.5
135.04396	5.7
145.02829	99.1
149.05965	27.8
153.00737	1.1
177.05423	28.3
187.85989	0.5
196.36421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0916
Annotation	2-AMINOPIMELIC ACID
Peak:m/z	Relative Intensity
52.94695	0.7
55.01864	1.6
56.05032	1.1
57.07064	0.8
58.06593	1.0
60.05637	1.3
60.08153	1.9
64.33266	0.8
67.05486	3.6
68.05013	4.8
69.03402	5.0
70.06201	1.8
70.06576	45.0
71.04973	24.8
71.06899	2.0
72.04497	1.9
73.87128	0.7
81.03422	1.3
84.08120	5.1
85.06524	6.1
86.06040	5.0
87.04452	75.1
88.07613	6.7
90.05543	7.0
90.05996	0.8
92.08765	1.3
94.06548	3.4
95.08672	0.9
98.06032	100.0
99.04424	1.2
100.02468	2.2
101.00816	1.3
102.05511	1.3
109.02831	0.9
112.07590	15.1
113.07077	1.6
114.05509	4.3
114.09139	4.6
116.07073	47.4
117.05453	1.6
119.01892	1.0
130.08629	14.8
130.09567	1.8
132.10191	1.7
134.08066	4.6
140.07047	13.7
144.13808	8.8
158.04457	1.4
158.08090	2.1
159.07620	3.6
176.09132	34.0
176.16434	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	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.84013	2.8
51.35199	3.3
53.90370	2.5
61.22149	3.1
61.84967	2.6
71.07796	2.9
75.20171	3.0
89.03906	56.8
105.72334	3.0
115.89542	3.4
117.03368	97.2
130.92868	3.1
131.20183	3.2
134.03632	12.9
145.02834	100.0
148.70621	3.2
149.05968	32.4
177.05418	27.0
177.12682	7.6
192.42528	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.05509	10.5
67.05482	5.1
69.07053	18.2
76.55600	1.1
79.05464	6.8
81.07032	23.8
83.08615	1.4
91.05456	18.8
93.07029	11.1
95.04913	1.1
95.08580	18.4
98.97580	2.2
103.05439	1.5
105.07011	68.8
105.44994	1.0
107.08567	13.3
109.10152	1.7
115.05387	1.2
117.07017	7.4
119.08558	100.0
121.10096	6.4
131.08560	7.0
132.09334	1.1
133.10103	56.2
134.10815	1.2
142.07719	1.8
145.10106	6.0
146.10974	1.5
147.08084	1.2
147.11684	11.2
157.10097	5.1
160.12480	1.7
169.86743	1.1
175.11160	5.3
175.14792	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03897	0.6
55.05500	13.1
56.96548	0.9
61.42530	0.6
62.55357	0.6
67.05479	4.2
69.03403	1.5
69.07053	16.9
72.28185	0.6
79.05476	7.0
81.07034	19.5
83.08597	4.9
84.73157	0.8
91.05461	19.6
93.07014	9.0
95.04930	0.6
95.08584	12.3
98.97587	0.8
105.07008	60.5
107.08582	9.3
115.05418	1.2
116.98602	0.9
117.07008	4.6
118.07804	0.8
119.08553	95.6
120.09294	0.9
121.10082	1.5
127.00713	0.7
129.41592	0.9
131.08540	12.6
133.10101	60.4
134.47124	0.7
134.99553	0.9
142.07846	0.8
145.10098	5.1
146.10864	5.5
147.11665	16.9
160.12433	3.3
173.13272	2.4
175.07491	3.4
175.11407	2.3
175.14780	100.0
182.95815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
54.05749	0.8
55.05504	10.8
55.63629	0.8
57.07057	0.7
67.05468	1.9
69.07053	25.6
69.94265	0.9
74.37006	0.9
79.05455	2.3
81.07029	9.5
83.08604	5.1
91.05454	11.3
93.07021	4.2
95.08591	10.0
105.07005	30.9
107.08566	7.6
112.42620	1.1
117.06978	4.5
119.08556	100.0
120.33246	1.0
121.10117	1.6
131.08560	5.6
133.10103	76.6
145.09114	0.9
145.10117	9.9
146.10867	1.9
147.08055	0.9
147.11691	10.6
160.12411	2.1
175.14783	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05313	0.6
55.05506	11.1
60.88761	0.9
63.11001	0.7
67.05505	7.0
69.03404	1.3
69.06724	1.3
69.07059	17.8
72.93745	1.2
79.05467	7.1
81.06602	1.2
81.07037	23.7
83.08599	1.3
87.51624	0.7
91.05463	17.6
92.09338	0.7
93.07025	13.1
95.08585	21.7
95.79280	0.7
96.97620	0.7
98.97551	3.5
103.05412	1.2
105.07015	73.3
107.08584	13.9
109.10146	1.6
115.05446	0.8
116.97173	1.2
117.07014	7.1
119.01926	1.0
119.04939	1.6
119.08562	100.0
121.10130	6.0
129.06950	1.3
131.08546	9.8
133.10100	58.5
142.07773	5.4
145.10071	6.1
146.10876	1.1
147.11685	13.8
157.10118	9.2
160.12462	1.9
173.13255	0.9
175.07434	1.3
175.11150	12.2
175.14784	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0557
Annotation	(R)-AMAA
Peak:m/z	Relative Intensity
55.05503	1.3
56.05025	1.2
56.96566	0.3
57.04551	2.4
58.02938	0.5
58.79670	0.2
61.18254	0.2
62.86302	0.3
71.06091	3.1
72.04498	1.1
72.93778	0.3
73.07664	0.6
74.87298	0.2
83.04978	1.9
84.04472	0.3
87.01266	0.3
88.37188	0.3
98.97552	0.4
99.05557	53.3
101.06016	0.6
111.04417	1.4
127.05016	100.0
138.87532	0.2
139.56079	0.3
144.36926	0.3
145.06067	1.9
155.06996	0.6
173.05548	40.4
173.08035	1.6
180.61327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.42945	0.6
55.05490	2.8
63.61226	0.5
72.93787	1.3
79.05458	1.1
81.07028	2.6
81.18230	0.7
83.04964	1.4
90.94798	0.8
91.05466	11.5
92.08703	1.2
93.07026	0.9
101.06006	0.8
105.07015	11.3
106.94746	0.7
111.04377	1.3
116.06213	2.8
117.06976	4.3
119.08566	7.0
129.07002	9.5
130.07777	1.6
131.08549	100.0
133.10141	0.8
143.08556	13.2
144.09290	6.0
145.10126	17.5
158.10890	15.8
173.08075	1.2
173.13229	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	175.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67492	0.5
55.93511	2.7
58.99842	1.4
70.63892	0.6
72.93761	1.0
77.00905	0.7
82.99803	0.7
85.01398	6.0
92.08665	0.7
95.48652	1.0
101.00857	13.2
103.02426	37.3
113.00833	0.7
114.36644	0.7
115.02418	6.9
116.97187	0.7
119.01897	81.6
120.02016	1.2
121.03458	23.2
131.01889	3.8
133.03444	74.7
137.02936	30.2
137.49976	3.5
142.03474	1.6
145.03453	15.2
146.96092	1.0
149.00804	1.0
150.96849	0.8
151.04506	33.7
151.97157	0.9
157.03413	2.3
163.04514	9.9
175.04486	100.0
193.05559	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	172.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71292	1.4
59.68648	1.5
63.71488	1.5
67.05494	1.6
69.07055	100.0
72.93775	7.8
72.98489	1.7
78.36243	1.4
84.08130	9.8
86.09689	57.0
87.00823	11.0
90.94815	3.0
104.03450	52.6
112.07621	19.4
116.03458	14.5
131.95169	1.7
148.97455	2.8
153.86366	1.9
154.08601	15.0
172.09698	22.7
172.11101	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	173.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12382	0.3
55.05506	5.4
56.05022	1.6
57.04548	2.3
58.02952	0.4
59.04972	0.6
61.02919	0.4
62.51903	0.3
69.12404	0.4
70.06568	1.5
71.06100	3.3
72.04504	0.5
72.93763	4.0
75.38302	0.3
82.06546	0.7
83.04960	5.2
84.04489	0.5
87.66801	0.4
90.94812	3.4
92.09310	0.4
98.98441	0.5
99.05556	55.6
101.06003	3.8
108.09560	0.4
111.04416	5.5
113.05949	0.5
116.07085	0.6
127.05017	100.0
128.07059	1.9
129.05437	2.5
145.06035	2.0
149.96094	0.7
149.97166	0.5
152.17821	0.4
155.06999	3.8
167.97095	0.8
172.04198	0.4
173.05547	43.1
173.08035	4.2
173.09242	0.7
187.96437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03940	13.3
55.01855	1.8
55.05507	9.4
56.96552	6.5
62.69278	0.8
62.70636	0.9
65.03927	2.1
67.01847	1.4
67.05492	21.1
68.96307	1.9
69.03410	2.6
69.19186	0.9
70.06582	1.1
70.94240	1.5
72.04505	6.8
72.93769	38.2
73.02895	1.2
77.03941	1.2
79.05462	11.6
80.02065	1.1
81.03419	1.5
81.07034	24.8
82.06567	1.9
83.04974	9.8
83.08609	3.8
85.06529	4.1
86.06059	1.5
88.95264	1.1
89.07140	2.2
90.90369	1.3
90.94801	23.6
91.04887	1.6
91.05458	51.9
93.07000	17.0
95.04942	54.4
97.02866	1.3
98.97546	5.0
100.03986	1.3
105.04491	8.8
108.08083	1.3
108.95847	8.9
109.06500	59.4
109.98913	1.2
110.06024	59.7
111.04422	1.9
113.05995	5.5
113.96375	2.2
116.98597	1.3
119.01920	2.2
124.07581	10.3
125.05998	1.4
126.09144	2.0
128.07014	5.1
130.96295	4.5
136.07581	1.9
137.05956	57.3
143.01878	6.7
148.97336	9.5
149.94011	1.1
149.96107	8.7
149.97176	2.3
154.08611	6.5
155.07001	100.0
158.99652	1.4
161.02943	8.8
161.04301	1.2
161.05588	2.3
167.97151	10.8
172.09648	22.2
172.11050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83588	0.2
53.26017	0.3
56.43849	0.4
57.03424	0.6
59.42191	0.3
79.05465	1.7
80.04980	0.3
81.03399	0.6
84.04497	1.4
85.06569	0.3
95.04977	0.4
96.08104	3.2
100.02481	0.8
101.00858	0.4
106.06556	2.6
119.01885	0.8
123.06783	0.4
124.07574	7.7
129.54504	0.4
134.05989	91.7
141.02692	1.6
150.05551	0.5
152.07042	100.0
155.27010	0.3
170.08081	13.8
170.09224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.88734	0.2
53.43493	0.2
59.73512	0.2
62.65613	0.2
64.02229	0.2
79.05470	1.7
80.05021	0.2
81.05774	0.9
84.50745	0.2
91.60989	0.2
94.06525	0.3
95.04933	0.3
96.08115	2.0
106.06521	1.5
123.06794	0.9
124.07567	7.1
125.56496	0.2
134.05989	91.9
135.06316	0.2
142.54742	0.2
150.05518	0.3
152.07040	100.0
153.07390	0.5
170.08092	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	169.1222
Annotation	Geranic acid
Peak:m/z	Relative Intensity
55.05490	27.1
56.96551	7.9
57.25187	4.0
67.05486	89.3
69.07052	33.7
71.04977	49.9
77.76464	3.7
79.05470	23.4
79.06017	3.6
81.07038	94.5
83.04971	19.8
85.06518	20.9
91.05455	20.6
92.08704	5.1
93.07016	10.1
95.04953	6.2
96.63303	3.9
97.06530	4.1
99.04416	5.0
105.07002	40.8
106.96333	4.5
107.08559	43.7
109.06508	6.8
109.10131	100.0
116.71555	4.3
116.72538	3.6
118.27052	4.3
123.11662	6.0
133.10078	27.1
133.63802	4.3
151.11182	4.5
169.07637	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	169.1222
Annotation	(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.00294	0.5
53.03932	1.0
55.05504	29.1
56.96544	2.5
57.03417	2.3
57.07064	3.9
59.04975	1.8
65.03931	2.1
66.04729	0.6
67.05489	59.8
69.03425	0.5
69.07050	5.1
71.04971	4.2
79.05470	17.8
81.07037	100.0
83.04964	0.7
83.08601	2.9
85.06526	5.6
91.05460	7.3
93.07013	1.1
95.04946	1.0
95.08581	5.8
97.06493	0.7
97.10170	0.8
102.03297	0.5
105.06998	3.6
107.08577	2.2
109.06509	0.7
109.10140	2.7
111.03814	0.8
111.04478	1.1
111.08047	0.5
118.71057	0.4
119.00155	0.6
121.10034	0.4
123.11697	3.6
124.04656	0.9
128.95038	0.5
133.10121	2.2
141.05443	0.8
146.96162	0.7
151.11163	1.1
169.04942	0.5
169.07542	0.7
169.12213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	4-(4-Hydroxyphenyl)-2-butanol
Peak:m/z	Relative Intensity
53.03923	0.9
55.01871	2.0
55.05511	3.0
57.03416	0.5
57.07069	2.0
58.90676	0.2
59.04973	0.2
64.33253	0.2
67.05482	1.3
69.03419	5.9
77.03909	0.4
79.05476	16.8
81.03397	2.4
81.07053	1.6
83.04971	4.3
91.05460	13.4
93.07023	33.1
95.04945	3.8
95.08588	1.5
103.05466	1.9
105.04499	0.4
105.07013	15.8
106.07758	0.4
107.04938	11.3
107.08579	4.1
109.06506	0.4
111.04432	4.2
115.05423	0.4
116.06231	2.1
119.08547	5.5
121.01618	0.3
121.06481	1.9
121.10121	25.8
123.08038	4.5
129.06978	1.1
131.08546	14.3
133.07559	0.8
134.07219	0.4
149.09599	100.0
150.09918	0.3
167.10648	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	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03942	0.4
54.81754	0.3
55.01867	1.3
55.05512	0.5
56.96561	1.7
57.03414	0.2
57.07075	0.3
61.13718	0.2
67.05502	1.8
68.99772	3.2
70.06592	0.4
71.04991	0.5
79.05480	0.5
80.02576	0.3
81.03406	0.5
81.07040	2.3
83.08598	0.3
85.02934	0.3
85.94593	0.4
91.05416	0.3
91.71294	0.2
92.09221	0.4
92.72159	0.3
93.07039	0.6
95.04945	1.5
95.08593	0.6
96.96645	0.3
97.02863	1.1
98.03651	3.5
99.31657	0.4
102.03327	0.4
105.07026	0.6
107.08579	1.7
107.52775	0.3
109.02211	0.3
109.02872	2.0
109.06536	0.4
109.10146	1.3
111.00787	30.8
111.03787	0.4
111.04457	1.1
111.08080	0.3
123.04389	0.5
123.08144	0.3
123.11666	0.7
125.02360	0.4
126.03110	36.3
128.70245	0.3
141.05446	100.0
151.03920	0.9
151.07603	0.3
151.08612	2.3
163.97751	0.3
169.04929	45.6
169.07498	11.2
170.05211	0.3
175.63803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03923	1.8
54.95326	0.9
55.05507	2.7
56.96557	13.8
57.03428	1.3
57.07067	1.1
60.55906	1.0
65.03926	79.8
67.05491	7.2
69.03426	1.3
69.07038	1.3
69.82397	1.1
70.06573	7.4
71.06953	1.2
76.55944	1.1
79.05466	2.6
81.03395	21.4
81.07052	7.9
82.06547	1.3
83.04956	6.8
85.94614	1.1
91.05464	1.8
93.03381	21.1
95.04952	12.6
95.08587	2.6
97.02862	1.6
97.06485	1.2
98.03680	2.3
98.97601	1.6
99.04435	1.5
103.95643	1.6
105.03412	1.2
105.07028	2.4
107.08569	1.9
108.02074	2.1
109.02869	28.2
109.06503	2.6
109.10171	1.8
110.03642	11.7
111.04433	100.0
111.07994	1.3
113.05980	2.2
123.04417	7.3
123.11677	5.3
124.04561	1.2
124.07533	1.4
125.05968	22.7
126.03106	14.1
127.03915	2.6
128.95174	1.4
133.02824	2.7
133.05124	1.3
134.05966	6.0
137.05980	8.1
141.05469	16.8
149.44637	1.0
151.03873	22.2
151.04942	3.2
151.14389	1.1
152.07013	9.7
163.97643	2.3
169.04994	10.1
169.06189	1.3
169.08505	1.9
169.09749	2.2
181.98766	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
55.01854	0.7
65.02633	0.2
65.03922	2.0
65.45522	0.2
65.91838	0.2
73.02903	6.6
91.05450	0.8
93.07010	1.2
94.86227	0.2
95.04963	1.8
103.00598	0.2
103.05418	0.8
104.00909	0.2
107.08595	0.2
111.04430	3.2
119.04916	2.5
121.02846	100.0
121.06457	3.8
122.03162	0.3
139.02710	0.4
144.03212	0.2
146.96548	0.2
149.05963	19.2
162.04282	0.2
163.35681	0.2
167.06999	3.7
185.11929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
51.02353	0.2
51.13516	0.2
53.03932	1.4
55.01855	0.8
55.05487	0.3
56.96553	0.5
65.03894	0.2
66.39999	0.2
66.50944	0.2
67.05476	0.3
67.53507	0.2
69.07050	0.4
72.08128	0.4
73.02877	0.3
78.04696	1.2
79.05479	2.2
81.03387	0.3
81.07034	0.5
84.96021	1.3
85.83644	0.2
91.05466	8.1
93.07026	16.0
95.04943	6.4
98.50496	0.2
103.00629	0.9
103.05448	10.3
105.04485	1.0
105.07063	0.4
106.04175	0.3
107.04937	1.7
107.08582	1.4
109.06506	0.9
111.04429	0.3
119.04925	0.4
121.01641	7.9
121.02895	2.8
121.06485	100.0
121.10111	1.0
122.03605	0.3
122.06805	0.3
123.04426	1.9
123.08076	0.3
135.04361	2.0
137.05930	2.4
138.03072	0.4
139.02654	3.8
139.03468	0.2
144.03227	4.4
147.04414	0.8
149.05965	35.1
149.09428	0.6
151.03880	0.3
152.04691	0.3
162.04231	1.8
167.06979	5.3
167.08237	0.4
167.10645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
62.81431	0.1
67.65794	0.1
73.64101	0.1
79.05485	1.8
88.45440	0.2
88.55752	0.1
91.05464	0.3
93.07036	2.9
95.04952	0.3
103.05455	12.7
107.04942	2.5
108.90182	0.2
120.02085	0.3
120.08089	100.0
121.08407	0.3
131.04916	2.0
134.81647	0.2
149.05956	0.7
166.08614	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05500	6.6
56.05017	3.3
56.96555	0.8
65.77236	0.6
67.05489	4.1
68.05012	3.8
69.03419	49.2
69.07049	1.5
70.06580	22.7
79.05475	16.8
81.07040	49.2
82.06538	0.8
84.04498	1.2
84.08125	1.5
84.89188	0.7
86.06055	36.7
91.26424	0.8
94.06519	1.8
94.40531	0.8
96.07520	1.6
96.08114	33.2
98.06038	100.0
98.09686	1.6
102.00941	1.6
106.68628	0.8
112.07596	20.3
119.01911	1.9
120.01971	8.3
121.01644	1.3
124.07573	82.4
138.03072	4.3
143.03551	5.6
148.11238	1.1
161.04750	1.3
166.12250	21.3
178.07118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
54.81429	0.8
55.01863	1.2
55.05499	3.7
57.03414	4.5
67.05488	10.4
69.03401	5.6
69.07056	1.1
71.04960	0.9
79.05476	14.0
81.06602	1.5
81.07040	27.4
83.04957	2.0
86.73314	0.8
91.05463	14.8
93.07030	13.4
95.04955	3.4
95.08585	7.2
97.06518	1.6
101.00860	15.8
103.05488	1.2
105.07011	26.6
107.08582	7.2
109.06486	3.9
109.10150	1.1
119.01897	100.0
119.04904	1.1
119.08559	16.7
121.10119	18.3
123.08040	2.9
123.11670	1.9
124.02412	0.9
133.06473	1.7
134.17101	0.9
137.02933	45.2
137.05907	3.8
142.03473	44.8
145.10115	0.8
147.04375	1.6
147.11665	26.3
160.04529	24.6
165.09024	1.3
165.12715	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	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
52.80854	0.4
54.83567	0.4
55.05506	10.3
56.96558	3.3
57.07075	0.8
61.94656	0.4
64.57319	0.4
67.05492	3.6
69.03399	0.5
69.07062	5.0
79.05473	8.1
81.07043	16.8
91.05462	25.7
93.07023	5.5
95.04955	3.1
95.08591	4.6
101.00846	1.0
103.05465	2.3
105.07014	100.0
107.08568	6.0
109.06516	2.8
117.06991	3.4
119.01901	9.4
119.08560	78.2
121.10125	10.7
123.11676	11.4
131.08549	0.5
132.09317	2.0
137.02942	3.4
142.03523	5.0
145.10129	6.5
147.11668	93.7
156.20880	0.5
160.04535	0.8
165.12732	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
52.80062	0.4
53.42801	0.4
55.05511	4.7
55.84664	0.4
56.96561	0.8
57.03437	0.5
57.07052	0.4
61.02911	0.6
61.73186	0.4
62.33562	0.4
67.05494	2.2
68.85522	0.4
69.03410	4.2
69.07053	2.8
69.71726	0.4
72.01495	0.5
73.02913	0.5
79.05479	3.2
81.03397	1.1
81.07034	5.0
83.04994	0.9
83.08622	1.9
85.02911	0.6
85.06531	0.5
90.12484	0.4
91.05461	2.9
93.07021	1.9
95.04951	96.5
95.08595	2.6
100.02501	0.6
101.00850	10.9
105.07000	5.8
107.08613	6.2
109.06503	15.5
111.04431	0.5
114.83849	0.5
118.03462	0.8
119.01904	100.0
119.08565	2.5
120.02016	1.2
121.10166	0.8
123.11645	0.5
124.02425	0.9
137.02940	50.0
137.05946	2.8
137.09625	0.8
137.13246	1.1
142.03485	49.0
143.03555	0.6
147.04381	2.7
147.11642	5.5
160.04535	24.9
165.05148	2.2
165.09125	0.8
165.12724	47.6
176.62280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03947	0.7
55.01863	2.0
55.05500	2.6
55.75882	0.5
56.96560	33.6
57.03421	1.1
60.40535	0.4
60.57571	0.4
64.92800	0.4
65.03902	0.5
65.70051	0.4
66.56404	0.5
67.05496	5.8
69.03426	4.0
69.07053	0.8
79.05480	2.7
81.03407	3.5
81.07040	2.6
82.99853	0.6
83.04970	10.1
85.02899	2.4
91.05457	8.1
93.07018	2.0
95.04943	3.4
95.08585	6.6
97.06519	0.5
98.07294	1.0
99.04483	0.5
100.02486	1.9
101.00857	12.0
103.05465	1.0
105.07016	5.5
107.02769	0.5
107.04946	2.0
107.08568	0.7
109.02864	2.4
109.06501	2.7
109.10140	9.4
110.70952	0.5
115.05430	0.8
117.06992	3.1
119.01900	100.0
119.04895	3.6
119.08556	9.4
120.02007	0.6
121.06476	0.7
122.07288	3.6
123.04380	2.0
123.08038	7.1
124.02437	2.2
129.06950	0.8
131.08533	2.1
133.02792	0.6
133.06454	2.5
137.02939	51.1
137.05908	3.6
137.09607	6.9
141.06947	0.7
142.03490	51.6
143.08545	0.6
145.06459	1.1
147.04393	6.1
147.08051	5.1
147.11755	0.6
149.05940	0.8
158.07193	0.8
159.07991	1.1
160.03255	1.0
160.04524	23.3
163.03914	0.8
163.07573	0.5
165.05237	3.0
165.09081	62.4
169.10066	0.6
175.07472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.01864	0.4
55.05490	0.3
57.03401	0.4
58.77132	0.3
65.03927	1.7
65.14864	0.3
67.05469	0.3
69.03418	1.2
79.05463	0.5
81.03381	0.3
81.07029	0.4
81.43902	0.3
83.04964	0.5
85.02917	0.3
91.05458	33.5
92.09305	0.4
93.06999	0.5
95.04945	2.3
101.00853	4.4
103.05463	0.6
105.06317	0.4
105.06996	4.1
109.06513	0.5
119.01902	25.7
119.04917	66.3
119.08563	1.4
121.10088	0.3
123.04386	2.2
133.06425	2.3
137.02939	10.1
137.05948	2.0
137.09575	0.4
142.03491	12.6
147.04385	100.0
147.11644	1.3
148.99655	0.4
160.04504	5.2
165.05400	1.8
165.09094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03928	2.5
55.01856	2.1
55.05488	2.7
56.96544	1.0
57.03416	1.1
57.07065	5.6
57.77784	0.5
67.05494	1.1
68.17547	0.5
69.03415	7.3
71.04967	2.4
73.02898	0.5
76.47430	0.6
79.05484	6.0
81.03391	4.1
81.07020	0.8
83.04973	1.1
84.38307	0.5
85.02889	8.3
89.05993	3.5
91.05475	5.2
93.07024	11.8
94.60252	0.7
95.04932	2.7
96.11436	0.5
97.02875	0.8
99.04435	14.3
103.03934	13.7
103.05448	35.1
105.07014	5.8
107.04935	4.1
107.07043	0.7
107.08580	7.3
109.02852	1.1
115.05424	2.3
117.06991	11.0
119.08573	4.3
121.06516	4.0
121.10136	7.7
127.03893	8.4
130.07759	4.0
131.04903	35.8
135.08075	0.8
135.11632	3.6
138.32483	0.5
143.08534	0.9
145.10103	27.3
163.03812	1.0
163.07516	32.7
163.11148	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03930	1.3
55.05514	8.0
56.00275	1.1
57.07062	4.7
61.02911	1.6
61.64419	1.0
69.03411	5.5
79.05484	13.1
80.29623	1.0
81.03409	1.7
81.07037	2.2
85.02892	7.9
89.06048	1.3
90.69714	1.1
91.05463	23.6
93.07026	43.6
95.04942	6.3
99.24149	1.0
103.05448	31.2
105.07015	20.5
107.04922	1.8
107.08583	92.4
109.06490	6.5
117.06952	1.2
119.06042	1.4
119.08570	11.7
120.09390	4.2
121.06553	3.5
121.10121	10.0
123.08066	1.1
130.07864	1.4
131.04907	22.7
135.11670	100.0
145.10019	2.5
163.03854	1.1
163.07480	15.8
163.11150	11.4
175.21857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04112	0.3
52.22923	0.3
55.01852	0.4
55.05495	0.4
56.67464	0.3
57.03402	0.3
65.03929	1.4
69.03413	1.4
73.56094	0.3
79.05486	0.7
81.03413	0.3
81.07061	0.4
83.04986	0.5
91.05464	34.0
91.55433	0.3
92.08752	0.5
93.07053	0.4
93.12029	0.3
95.04955	2.1
101.00857	6.2
103.05450	0.7
105.07005	4.8
109.06571	0.4
114.22584	0.3
118.03500	0.3
119.01907	33.4
119.04922	65.9
119.08583	1.5
123.04453	2.3
123.08025	0.3
124.02396	0.7
133.06474	2.8
137.02936	12.6
137.05937	2.4
137.09578	0.3
142.03485	15.9
147.04393	100.0
147.11678	1.4
160.04535	7.2
165.05370	1.7
165.09073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.79598	0.3
53.03941	0.8
55.01871	0.9
55.05509	0.9
57.03434	1.1
57.07063	4.1
57.44648	0.4
59.67381	0.3
61.02922	0.9
65.03935	0.4
67.05497	0.5
69.03417	5.9
71.00586	0.4
71.04977	0.5
73.02893	0.8
77.03914	0.5
79.05475	0.6
81.02592	0.4
81.03416	0.8
83.04993	0.6
85.02901	5.0
85.03350	0.4
89.06017	2.4
91.05464	0.7
93.06999	0.5
95.04910	1.7
97.02872	1.6
99.04430	0.8
101.02370	0.7
101.09647	0.5
103.05453	90.8
105.07004	0.6
107.04973	0.5
117.05505	0.5
121.06499	0.8
121.96623	0.6
127.03906	1.0
131.04909	100.0
135.04424	0.9
135.08002	0.9
139.01796	0.6
140.28587	0.4
163.01698	0.5
163.03870	2.6
163.07516	47.4
163.11140	1.0
170.39162	0.4
179.77095	0.4
181.02858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0865
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
50.33698	0.2
51.02343	0.2
53.00318	0.2
53.02330	0.2
53.03946	1.5
53.04147	0.2
53.69219	0.2
55.01865	3.1
55.05502	1.5
56.96546	1.2
57.03176	0.3
57.03429	5.3
57.07065	3.0
59.04969	0.2
60.37543	0.2
60.95864	0.2
61.02913	5.0
62.92969	1.3
63.11866	0.2
69.03413	15.8
69.07053	0.2
71.01326	0.4
71.04977	1.4
71.58050	0.2
72.08134	0.4
73.02898	3.6
75.64203	0.2
78.84551	0.2
78.95270	0.2
79.05463	1.0
81.03400	4.8
81.07020	0.9
83.01311	0.3
83.04942	0.4
85.02888	24.3
87.04458	0.7
89.03888	1.0
89.06013	1.9
91.03923	0.4
91.05457	0.9
92.04974	0.9
95.04932	1.1
97.02876	4.8
99.04430	3.3
101.02358	2.1
101.09644	0.3
102.96861	0.2
103.03952	0.5
103.05453	6.2
105.07024	0.4
107.04941	1.6
107.07016	0.2
107.08558	0.2
109.02856	2.5
115.03876	0.4
116.96491	0.2
117.03328	0.3
117.05482	1.6
118.06480	2.0
120.97889	0.3
121.00775	0.3
121.01627	0.8
121.06464	1.3
121.96595	3.2
127.03903	2.9
127.07500	0.3
128.20268	0.2
130.06494	0.3
131.04907	6.5
133.07588	18.3
135.04402	1.8
135.05339	0.2
135.08049	0.2
137.05971	0.4
137.98381	0.3
138.98930	0.4
139.01741	0.5
139.02693	0.4
145.02817	0.3
145.07582	20.4
146.08426	1.6
162.00826	0.2
163.03955	2.2
163.08633	100.0
164.08998	0.5
164.57300	0.2
181.02863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03936	0.5
53.42559	0.6
55.01867	1.1
55.05500	3.4
56.96543	1.5
57.03415	1.4
57.07068	7.4
61.02909	0.6
65.29565	0.7
69.03407	5.1
73.02912	0.9
79.05486	1.1
81.03376	0.8
85.02879	1.4
89.06020	6.6
91.05465	7.9
93.07010	1.1
95.04934	0.7
97.02847	1.5
99.04397	0.8
100.26651	0.6
103.05451	30.1
105.03378	0.8
105.07027	1.1
107.04910	0.8
107.08540	1.1
108.08087	1.1
115.05431	8.6
117.06995	22.5
121.06465	1.4
121.10092	0.8
131.04903	25.2
134.61049	0.6
135.04335	1.0
135.08037	1.4
136.70827	0.7
143.05380	1.3
145.06458	4.1
154.54199	0.7
163.07512	100.0
165.81825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03932	1.2
54.81522	0.5
55.01859	0.6
55.05503	2.7
57.03425	3.0
57.07069	4.9
61.02901	0.8
69.03418	4.6
69.07063	0.6
70.39859	0.6
71.04967	0.7
73.02894	0.8
79.05463	3.5
81.03411	2.1
81.07019	1.3
85.02894	3.6
89.06015	2.3
91.05466	4.5
93.07020	4.9
95.04419	0.6
95.04945	5.1
95.19349	0.5
97.02852	0.7
99.04442	3.9
101.02374	0.9
103.05450	94.6
105.07023	3.2
107.04922	2.1
107.08583	10.6
117.07030	0.9
118.27282	0.5
119.08566	2.6
121.06506	1.1
121.10119	2.3
125.55572	0.6
127.03890	1.4
130.07689	0.6
131.04907	100.0
135.04382	0.6
135.11682	9.0
145.10066	1.2
146.91818	0.5
163.03886	2.7
163.07513	45.4
163.11113	5.2
163.14865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03942	0.5
54.85720	0.3
56.34054	0.3
57.03418	0.5
57.07060	1.9
59.27402	0.3
60.89125	0.3
63.83473	0.3
69.03417	0.9
69.45664	0.4
71.05010	0.4
82.12804	0.4
83.50269	0.4
85.02887	0.7
89.05991	0.7
91.05450	0.4
93.07001	0.4
95.04943	1.8
102.04660	0.4
103.05444	92.9
105.04499	0.4
107.08510	0.6
131.04900	100.0
132.05209	0.4
137.11288	0.4
149.81622	0.4
157.46742	0.4
163.07504	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03939	5.0
54.06431	0.5
54.23286	0.5
55.01868	26.0
56.05024	0.8
56.96558	0.6
57.03431	27.7
57.07056	1.0
59.04977	1.1
61.02596	1.1
61.02916	34.9
69.03418	73.5
71.01324	1.7
71.04979	5.0
71.95308	0.6
73.02902	24.9
76.26301	0.7
76.78424	0.7
81.03403	12.5
82.83802	0.6
83.01322	3.0
84.04479	3.4
85.02895	100.0
85.04816	5.7
87.04439	1.4
89.06025	0.8
91.03940	8.2
97.02876	23.1
99.04435	11.3
100.02465	1.0
101.02354	14.5
103.03956	1.2
106.58949	0.7
109.02866	4.8
115.03902	3.1
115.84199	0.7
117.05444	0.8
117.07394	1.1
121.01634	0.8
121.75375	0.7
127.03900	14.5
131.04919	1.6
131.54297	0.8
135.04425	0.8
142.03523	1.1
145.04901	1.0
163.03880	0.9
163.08655	1.7
170.09225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44425	0.7
50.94752	0.7
55.05509	8.0
59.52777	0.8
64.65556	0.7
67.05485	0.8
69.07067	8.9
72.08132	0.9
79.05468	3.3
79.09992	0.7
81.07024	4.5
89.08612	0.7
91.05459	9.4
92.09367	1.3
93.07018	1.3
102.96835	1.1
103.05452	1.9
105.07016	44.3
107.08606	1.9
111.80486	0.9
117.06980	5.7
119.01914	1.0
119.08566	100.0
127.29003	0.9
131.08559	7.5
133.06468	1.0
133.10110	35.8
144.73680	0.8
145.10052	1.1
146.10884	1.6
159.11650	3.5
161.05905	1.5
161.09592	1.9
161.13231	77.9
169.98578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03930	1.4
55.05503	15.2
56.96556	17.5
57.26363	0.9
67.05486	6.2
69.07053	12.0
72.73013	1.1
79.05473	13.5
81.07042	20.8
91.05462	37.3
93.07011	17.1
95.04935	2.4
95.08595	2.1
97.99142	1.3
103.05435	4.7
105.07014	100.0
107.08566	10.8
115.05363	1.4
117.06950	10.9
119.08565	82.7
121.10119	1.6
131.08543	9.6
133.10107	36.6
146.10901	2.0
159.11652	2.4
161.09534	2.6
161.13229	54.9
182.95613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
54.30955	0.9
55.05507	12.0
56.96556	1.5
57.87255	0.9
58.02563	0.9
61.21698	0.9
62.69644	1.0
69.07055	12.1
69.08877	1.0
70.18927	1.1
74.34139	1.1
77.65949	1.2
79.05476	2.7
81.07034	2.0
85.40861	1.1
88.02203	1.6
91.05460	11.5
93.07044	2.1
102.96816	1.4
103.05434	1.2
105.07011	55.3
107.08605	1.0
115.05467	1.9
116.98604	1.2
117.06989	5.1
118.04129	1.8
119.01885	1.5
119.08558	100.0
120.97905	1.3
131.04831	1.9
131.08559	8.1
132.09285	1.5
133.06459	4.9
133.10117	33.0
137.02975	1.5
145.10129	1.3
146.03584	2.4
146.10916	2.5
159.11601	1.8
161.05942	12.7
161.09599	6.0
161.13220	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.076
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
50.64874	0.3
50.66693	0.4
55.01854	0.3
55.05501	0.6
56.05031	22.1
56.96553	0.7
57.03431	3.5
60.04524	2.9
61.02901	0.5
69.03403	1.7
70.06570	0.9
71.04967	0.5
73.98713	0.4
74.06063	26.2
78.60374	0.3
84.04491	100.0
85.02900	6.2
85.62432	0.4
87.04435	0.4
97.02877	0.8
98.06038	3.5
98.97533	0.6
99.04438	1.6
102.05518	10.3
103.03931	8.3
112.58237	0.3
113.02363	0.5
116.01714	0.4
116.07076	38.9
116.10733	1.4
120.05684	0.7
120.06554	18.8
127.03931	0.5
127.37453	0.4
130.02167	0.6
130.04985	15.7
130.05957	0.6
144.06551	2.2
144.13823	0.4
145.04958	4.9
162.07611	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.73691	0.3
53.03936	0.7
54.32370	0.3
55.05505	6.7
62.06023	0.3
69.07030	0.5
79.05474	1.7
81.07018	0.6
91.05463	6.9
93.07008	0.5
95.04932	0.5
103.05456	0.9
104.06264	0.4
105.07019	9.1
110.68090	0.4
113.67653	0.4
117.06989	3.2
118.04141	0.7
119.08562	100.0
121.10128	0.7
131.08560	1.9
133.10118	8.9
146.03600	0.8
148.41087	0.4
159.01343	0.4
161.05930	3.9
161.13225	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	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11362	0.9
53.03931	1.9
54.81482	1.2
55.05313	0.9
55.05505	13.6
60.66615	1.1
60.83637	1.1
65.03900	1.0
67.05485	5.3
69.07059	14.8
70.09200	1.0
75.92430	1.1
79.05468	8.9
81.07037	16.2
91.05453	27.8
93.07010	14.0
95.04936	1.4
95.08556	1.6
103.05432	5.3
105.07016	85.1
107.08577	6.5
110.12778	1.1
112.14116	1.2
117.07002	9.8
118.06535	7.6
119.08560	100.0
120.09278	1.3
121.10138	1.8
131.08534	12.2
132.09276	1.4
133.10106	39.4
144.04308	1.6
146.10829	1.4
159.11693	2.5
161.05879	1.2
161.09546	1.4
161.13234	73.8
162.05464	1.7
182.28844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
92.09338	0.4
101.00858	18.7
102.00970	0.5
119.01900	100.0
120.01984	4.7
137.02934	34.6
138.03038	1.7
142.03467	0.8
143.03572	2.8
160.04625	0.5
161.02966	3.6
161.04671	1.6
179.03979	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	161.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	24.3
55.42760	2.2
56.05024	3.8
59.04983	17.9
61.02906	20.2
62.39928	3.0
69.03391	2.3
70.07400	3.0
71.01342	6.9
71.70889	2.6
72.08143	3.5
73.02900	36.1
75.04430	3.8
77.44100	2.4
80.03862	2.7
81.33291	2.7
83.01328	15.8
84.02097	3.6
84.04494	50.5
85.02895	4.6
87.04451	27.6
90.05593	2.8
96.17173	2.5
97.08427	5.0
101.02367	43.6
115.03912	20.6
115.09493	2.7
116.07067	11.0
119.01892	5.6
129.01822	100.0
144.06557	3.3
145.03546	2.9
147.02888	14.7
161.04436	12.0
165.40143	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	161.0444
Annotation	3-Oxoadipate
Peak:m/z	Relative Intensity
55.01864	20.7
56.05033	2.3
59.04988	14.5
61.02921	16.5
67.53634	2.4
71.01344	10.9
73.02903	29.7
75.04453	4.2
82.10359	2.0
83.01328	12.8
84.04494	32.4
85.02910	9.5
87.04449	28.0
97.02866	8.2
97.08450	3.0
99.35025	2.8
101.02351	41.2
115.03910	21.3
116.07078	4.2
118.54648	2.2
119.01896	2.4
125.02367	2.7
127.44353	2.2
129.01819	100.0
129.73976	2.2
130.05043	3.1
135.45416	2.0
143.03406	2.5
144.06580	1.9
147.02867	11.9
161.04443	9.1
169.14197	2.0
176.85844	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.71400	0.9
56.96560	10.6
59.93072	1.1
67.05485	5.1
68.47221	1.0
72.04528	1.0
76.92823	1.2
76.93348	1.6
77.46177	1.0
81.07037	1.5
91.05461	16.8
91.67229	1.0
98.97560	13.7
99.97903	1.3
105.07003	17.1
115.05446	8.5
116.06226	2.0
116.98589	18.5
117.07000	29.6
117.95947	1.3
117.98956	2.7
118.96699	1.9
119.08562	9.7
128.06165	1.8
129.06978	20.2
130.07759	21.5
131.08543	82.4
134.99620	12.9
135.99963	2.4
142.07806	1.4
142.42693	1.1
144.09312	15.7
153.00706	2.7
157.10114	2.5
159.11664	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	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
52.04386	0.5
55.01851	2.5
55.71027	0.4
56.96559	18.5
57.17325	0.4
57.93555	2.0
58.51410	0.4
63.60403	0.4
67.05493	0.8
69.03418	3.9
69.07065	3.6
70.06577	23.6
71.95235	1.0
72.04504	2.8
74.62531	0.5
76.39742	0.4
77.52961	0.4
84.04485	2.4
84.08124	2.7
87.04461	5.0
94.06543	8.9
95.07311	2.3
96.04475	11.9
96.08101	3.5
98.06038	7.5
98.97561	100.0
106.67545	0.6
112.07590	16.0
112.55710	0.7
114.05521	7.8
116.07055	4.3
116.97222	5.9
116.98599	89.5
122.05997	2.2
134.99637	56.8
138.05504	0.6
140.00179	0.8
140.07043	42.8
141.07278	0.4
148.96115	0.7
152.96954	2.0
153.00700	10.4
158.01241	2.3
158.08121	21.3
158.09598	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	159.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
54.81760	0.8
55.01867	1.5
55.05508	8.6
56.05031	0.7
56.26347	0.6
56.96555	50.3
57.03426	3.8
57.07071	1.3
59.30481	0.7
61.02917	1.9
65.03908	1.1
67.05489	23.8
68.99771	1.9
69.03422	3.3
69.07052	0.8
70.06575	19.1
70.98119	0.9
71.01327	10.3
71.04985	7.1
71.06916	5.5
71.95248	3.3
72.04490	1.4
72.08133	3.9
73.02892	1.8
73.06534	2.0
74.97616	1.2
79.05470	3.3
81.03410	4.9
81.07059	0.9
83.00764	3.3
83.04958	5.4
84.01548	1.4
84.08125	12.8
85.02901	5.4
85.06538	1.3
86.09715	1.0
87.04455	1.3
88.99115	1.4
91.00517	1.1
91.05460	4.0
92.01263	2.0
95.04952	17.2
97.02884	8.8
97.06502	0.9
98.01218	1.0
98.97559	84.4
99.04460	4.5
99.97873	6.4
100.07610	1.9
101.00887	1.2
107.04953	1.3
109.02850	1.3
111.04428	5.4
112.07590	4.6
113.02363	0.9
113.05990	4.1
113.07951	1.7
114.09168	5.2
116.07061	1.3
116.98596	90.8
117.01807	6.6
117.96027	1.5
117.98902	7.6
118.01865	1.5
118.96759	1.4
119.01902	6.3
119.04939	4.9
123.04377	12.1
126.00722	1.4
127.00288	3.8
127.01512	1.4
127.03871	0.9
129.01888	1.3
131.08569	1.4
131.11787	1.2
132.00726	2.0
134.99632	100.0
135.99974	9.6
137.05963	1.8
138.09111	10.8
138.59395	1.2
140.00169	1.7
141.05449	11.6
142.08614	3.3
143.01892	3.3
145.01297	8.2
147.04384	22.6
147.05598	1.5
147.55742	1.1
148.04779	1.7
149.06589	5.5
153.00679	23.7
153.96648	1.3
154.00966	0.9
156.06227	0.8
158.01242	3.2
158.08197	0.8
158.15329	1.2
159.01724	0.9
159.02911	4.7
159.06570	1.6
159.08026	1.0
159.11577	1.6
160.04451	1.3
161.02948	6.8
176.07132	0.8
177.00723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88983	1.4
55.01869	100.0
55.04221	1.5
55.05511	2.7
56.05020	1.9
56.96556	11.6
57.03432	2.8
61.02919	3.8
64.15839	1.6
68.99795	15.3
69.03424	3.7
70.06590	14.3
73.02895	4.3
83.01340	8.3
83.05010	6.8
84.04435	1.8
84.99309	2.2
85.02886	1.8
93.07053	2.0
94.30935	1.8
97.06485	2.4
99.97297	1.9
100.02480	2.2
101.06100	2.0
102.02194	2.8
110.07152	11.6
111.00816	15.1
111.04425	4.0
111.05562	11.4
111.07480	3.9
116.07102	3.4
116.98597	2.2
119.01888	10.4
120.01974	10.0
120.02650	7.2
120.03323	2.2
133.01721	2.1
138.03090	2.6
139.00255	4.1
142.07736	2.1
143.03653	2.9
150.07539	2.2
157.01285	10.9
157.05002	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	157.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68081	1.2
54.03590	1.7
55.01870	100.0
55.05504	3.7
56.96561	45.6
57.03422	6.2
57.93545	1.6
58.89034	1.1
60.15461	1.2
60.95845	1.6
61.02899	7.6
62.88800	1.4
67.05479	2.2
68.99796	13.5
69.03407	6.7
71.04956	1.4
72.08132	6.2
73.02895	9.6
79.05450	1.5
79.52810	1.7
81.03402	1.4
83.01307	6.5
83.04972	7.5
84.01167	2.0
84.99247	2.4
85.07661	2.5
86.09673	6.1
91.05431	1.5
92.01275	3.4
93.07040	1.8
95.04942	1.6
97.99168	2.6
98.97575	25.6
101.02446	1.9
101.05979	2.0
102.02226	1.6
103.52048	1.9
111.00138	2.0
111.00832	12.2
111.04430	7.3
112.96074	1.4
113.02341	1.8
115.00671	2.9
116.97188	1.7
116.98580	16.7
119.01878	3.7
120.00742	3.3
120.01987	2.4
120.18662	1.7
121.01633	1.8
125.07104	6.5
129.01822	2.4
133.01683	3.0
134.99596	7.3
136.47192	1.6
139.00262	3.5
157.01295	13.9
157.09763	2.8
157.13313	3.1
162.99046	2.5
177.00769	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0702
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
52.29170	0.8
53.03924	3.3
55.01846	3.5
55.93515	0.9
56.96556	1.0
57.03424	3.3
57.57178	0.7
62.10997	0.8
65.03929	6.4
65.20648	0.8
66.93584	0.8
67.05491	12.7
68.74091	0.8
68.99773	1.0
69.03414	1.1
69.07041	1.2
69.96152	1.8
70.95485	1.0
70.95850	20.8
71.94070	0.8
72.93766	22.1
72.94138	1.6
79.05473	18.6
81.03371	1.9
81.07036	59.9
81.61859	0.8
83.04955	3.7
85.06528	5.9
88.96886	4.1
90.94786	5.6
91.05459	80.0
93.03384	4.5
93.07018	16.6
95.04940	17.5
97.06468	1.1
99.04430	1.9
105.04520	0.8
107.04914	1.5
107.08989	0.8
109.06500	55.2
109.10142	1.6
111.04424	17.7
111.98458	9.1
113.05969	5.5
113.96369	4.4
114.36864	0.8
119.04918	97.3
125.05912	0.9
127.03873	4.7
127.07520	3.9
129.99460	4.2
131.96118	6.7
131.97409	4.4
132.95801	21.4
137.05951	100.0
149.97206	10.8
150.96854	46.9
155.03360	3.7
155.06999	61.1
155.97394	1.6
162.32590	0.8
168.97887	1.7
171.12024	0.8
173.98488	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03952	1.6
55.01876	1.8
55.05507	29.5
55.93505	1.6
56.96552	1.4
57.03429	7.1
59.04992	2.2
63.42547	1.3
64.88594	1.8
65.03909	2.6
65.10773	1.7
67.05496	78.7
69.03412	2.2
69.07052	7.8
70.95854	35.7
71.01342	10.7
71.04977	87.2
71.64046	1.7
72.93772	81.9
79.05475	8.9
81.07041	63.6
83.04980	8.5
83.08618	1.9
85.06538	2.9
88.96896	5.3
90.94797	22.5
91.05466	2.9
93.07019	9.0
95.04951	13.9
95.08591	48.0
97.06528	3.7
99.04438	69.6
99.08096	2.4
107.08550	3.0
108.95837	2.4
109.06506	3.3
109.10146	100.0
111.04428	8.3
111.08076	8.7
111.98466	12.3
113.05962	7.3
113.96391	25.0
119.08632	2.7
127.07556	2.1
129.99506	12.0
131.96394	2.9
131.97429	33.6
132.95828	38.3
137.09573	12.5
149.97176	6.7
150.96875	86.9
150.98094	3.7
155.03394	2.1
155.07022	11.9
155.08958	2.4
155.10666	11.5
155.97438	3.8
168.97893	3.3
173.98465	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	155.0703
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
51.62833	0.7
53.03930	4.9
53.17158	0.7
55.01854	4.0
55.05507	1.4
55.93509	0.7
55.95205	0.8
56.96539	3.6
57.03419	3.3
57.07063	1.3
61.18201	0.7
65.03922	4.8
67.05493	11.5
69.03414	1.4
69.96156	3.4
70.95480	1.0
70.95852	22.6
71.04988	1.4
71.94082	1.2
72.08112	0.9
72.93771	32.6
79.05471	19.3
80.89205	0.9
81.03400	3.6
81.07041	61.6
83.04957	3.5
85.06515	5.5
88.96875	8.1
90.94810	7.5
91.00448	1.0
91.05463	82.3
93.03370	4.9
93.07021	19.5
95.04950	19.0
97.06495	1.1
99.04436	1.7
105.04470	1.1
106.97858	1.3
107.04951	2.0
109.06503	54.5
109.10125	0.8
111.04427	21.3
111.98450	10.3
113.05988	5.4
113.96368	5.6
119.04921	100.0
121.01498	1.0
127.03886	3.1
127.07508	3.5
129.99510	6.3
131.96103	5.9
131.97403	4.2
132.95821	24.3
137.05960	94.1
137.09564	1.3
137.98265	0.9
149.97169	18.3
150.96870	64.8
155.03410	1.9
155.07008	62.8
155.10599	1.3
155.97409	1.8
167.98141	1.1
168.97916	1.3
172.98811	0.9
173.98456	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	155.0703
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
53.03922	1.7
55.01853	3.8
56.96515	0.7
65.03920	3.4
65.86786	0.8
67.05483	8.7
68.99776	1.2
69.96138	0.8
70.95850	9.8
72.93774	8.7
79.05479	15.5
81.03396	1.1
81.07040	51.9
83.04967	0.8
85.06509	4.4
88.96880	1.9
90.94827	1.2
91.05462	61.5
93.03386	1.8
93.07014	13.3
95.04949	14.1
99.04420	0.9
107.04933	1.4
109.06505	46.6
111.04440	13.2
111.98419	3.0
113.05993	1.9
113.96387	1.4
119.04919	89.6
120.05225	0.9
127.07510	1.6
129.99474	1.0
131.96106	1.2
131.97466	1.0
132.95811	10.3
137.05954	100.0
137.54256	0.7
149.97188	4.4
150.96860	21.3
151.82875	0.9
155.07007	92.2
155.97438	1.0
157.60599	0.9
168.97925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
53.03933	3.8
55.01861	3.4
55.05490	1.2
56.96566	0.9
57.03424	1.1
65.03919	3.6
67.05495	10.7
67.42230	0.7
68.99765	0.8
69.96155	1.2
70.95852	15.2
71.94077	0.9
72.93777	16.1
74.99736	0.8
79.05474	15.2
81.03403	1.3
81.07040	51.9
83.04978	1.7
85.06518	4.9
88.96894	3.0
90.94788	1.6
91.05463	65.8
92.21635	0.8
92.76756	0.7
93.03383	3.9
93.07019	14.7
95.04942	14.3
99.04419	1.3
105.04521	0.8
107.04929	1.3
108.95838	0.7
109.06503	48.3
111.04430	13.8
111.98499	6.5
112.01570	0.7
113.05991	2.9
113.96341	1.5
119.04920	79.7
127.07525	3.2
129.99478	4.1
131.96124	4.6
131.97415	2.9
132.95822	14.8
137.05959	100.0
149.97212	8.2
150.96873	39.4
155.07014	85.7
155.97414	0.9
167.98210	1.1
168.97925	1.1
173.22029	0.8
173.98465	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	153.0547
Annotation	(R)-Mandelate
Peak:m/z	Relative Intensity
53.03937	0.6
55.01861	0.5
55.05497	0.5
56.96548	1.7
65.03926	2.2
67.05479	0.5
68.96312	1.3
69.03416	0.5
70.94239	0.7
71.04942	0.3
79.05466	2.7
81.07050	0.4
93.03391	0.6
93.07014	1.5
95.04939	6.9
98.43704	0.3
98.97546	0.8
107.04941	100.0
107.08578	2.4
108.05282	0.7
110.03580	0.4
111.04420	3.6
116.98597	1.4
125.05971	1.7
130.96284	0.8
134.99644	1.7
135.04391	33.7
135.08032	0.5
135.11664	0.6
148.97328	3.7
153.05450	4.7
153.09111	0.5
153.12730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03930	1.5
54.81279	0.9
55.01858	3.3
55.05506	6.8
56.96550	5.9
57.03422	0.8
59.04978	5.5
65.03931	7.8
67.05489	14.1
68.57868	0.8
69.03416	10.8
69.07048	1.5
70.94254	1.5
70.95817	1.6
71.04965	1.5
71.30523	0.8
72.89521	0.7
79.05477	13.2
80.09651	0.8
81.03387	1.2
81.07037	8.7
81.64775	0.8
83.04961	4.7
83.05428	0.8
83.08615	0.8
83.10339	0.8
86.97305	0.9
89.00223	1.1
91.05449	10.0
93.03380	1.1
93.07024	14.8
95.04942	29.7
95.08595	1.8
97.06509	3.7
97.73878	0.8
98.00743	1.0
105.07003	3.4
107.04933	12.9
107.08575	19.1
109.02849	1.4
109.06496	4.5
109.10181	1.4
110.03609	1.2
111.04432	14.5
111.08065	100.0
121.06481	5.0
123.04407	32.3
125.05987	4.4
125.09603	45.5
130.02780	3.7
130.96307	1.0
134.96808	0.8
135.04402	12.9
135.08032	5.6
135.11668	3.7
138.49715	0.9
139.03299	1.7
148.97331	3.5
153.05473	11.5
153.09077	24.3
153.12692	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93853	0.3
57.03459	0.3
58.99886	0.2
68.16470	0.2
69.00272	0.2
69.03495	0.2
69.96159	8.9
71.00690	0.2
71.03919	0.2
71.50531	0.3
71.94073	3.5
72.52972	0.2
72.93449	0.2
72.93765	1.8
73.02953	0.3
77.00874	0.6
77.50958	0.2
80.01194	0.4
80.51064	1.1
82.01425	0.2
86.52689	0.5
87.97215	0.5
88.51673	12.2
89.01720	14.4
89.51541	18.0
89.95145	0.2
90.01575	2.7
90.94829	0.4
95.53224	0.8
97.52187	1.7
98.02248	2.3
98.52053	2.7
99.02112	0.5
100.02470	3.6
100.52511	3.8
101.00849	3.0
101.02312	4.5
101.52419	0.9
102.00974	0.4
102.02242	0.3
102.47762	0.5
103.00644	1.9
107.44749	0.2
108.48199	0.4
108.98027	0.5
109.02951	0.3
110.98792	0.3
111.38127	0.2
111.48245	0.3
111.98331	0.2
113.95142	0.3
113.96405	0.4
116.98721	0.5
117.48755	0.5
117.98488	1.5
118.03520	1.2
118.60160	0.3
119.01894	17.0
119.48961	0.4
119.99024	1.1
120.01973	6.1
120.48768	2.4
120.98759	0.2
121.01643	15.4
122.52026	0.2
124.02424	0.8
125.02584	0.3
125.99202	4.4
126.49227	6.8
126.99069	10.7
127.49100	1.9
128.49438	3.8
128.99501	10.2
129.49309	11.4
129.99323	1.8
130.52634	0.3
131.01897	2.0
131.02751	0.4
131.49786	0.9
131.52544	6.0
131.96121	14.7
131.97287	0.9
131.99518	1.8
132.01813	0.4
132.02745	1.5
132.52631	0.3
132.95740	0.3
133.83281	0.2
135.99565	0.5
137.02928	7.9
137.49983	25.8
138.00029	62.0
138.02966	2.8
138.49855	100.0
138.99879	17.3
139.02660	7.4
139.03630	0.3
139.50005	1.1
140.00218	2.1
140.50291	7.6
141.00124	9.8
141.50171	2.4
142.03476	13.8
143.03571	5.8
143.53528	0.2
144.03203	13.0
145.00818	0.4
145.03477	0.5
145.50655	0.4
146.50508	0.8
147.00531	1.4
147.50418	2.2
148.00452	0.3
149.00789	10.9
149.02872	0.4
149.50841	38.5
149.97183	37.3
150.00655	52.9
150.50699	12.0
150.96872	1.1
151.00827	0.4
152.01089	0.3
154.97696	1.0
155.06990	0.4
157.01491	0.3
158.51309	0.3
160.04521	5.3
160.51535	0.3
161.01616	1.3
161.04636	2.2
161.51430	1.9
162.01495	0.4
162.04250	5.5
163.04543	0.3
167.98218	5.3
172.98752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Vanillin
Peak:m/z	Relative Intensity
55.01865	0.7
55.05507	1.9
56.68925	0.4
56.96548	0.6
57.81205	0.3
65.00056	0.4
65.03927	56.2
67.05489	0.9
69.03400	0.7
69.07048	0.4
70.94221	0.6
71.04987	0.4
71.31219	0.4
79.05483	2.1
81.07040	1.8
83.04955	1.6
89.00232	0.7
89.30791	0.5
91.90987	0.4
92.37455	0.4
93.03384	23.6
93.07007	2.2
95.04955	1.6
95.08591	1.6
97.06490	1.7
98.00751	2.8
107.04951	0.6
107.08620	3.1
109.06494	0.8
109.10169	0.5
110.03641	9.8
111.04425	100.0
111.08078	0.9
112.04843	0.6
112.06084	0.4
124.05160	0.5
125.05967	41.7
134.05923	0.4
135.04401	0.6
135.08047	0.5
135.11618	0.6
138.03110	0.9
148.97348	0.5
152.92560	0.5
153.05444	24.4
153.09032	0.7
153.12787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	3,4-Dihydroxyphenylacetaldehyde
Peak:m/z	Relative Intensity
53.03934	1.5
54.56404	0.6
55.01860	4.1
55.05502	0.7
56.71714	0.6
56.96554	3.3
58.47031	0.6
65.03928	5.3
67.05492	24.7
68.96302	0.9
69.03402	0.7
69.07061	1.3
70.94236	1.5
71.46634	0.6
77.03904	3.0
79.05479	11.5
81.03403	1.5
81.07043	1.4
83.04923	0.8
93.03393	1.0
93.07021	4.7
95.04950	64.3
95.08635	0.9
95.38393	0.7
97.06509	2.7
98.97566	3.3
105.03376	4.8
105.04464	1.4
105.06984	0.9
107.04933	20.8
107.08575	4.2
109.02843	6.6
109.06548	2.4
109.10080	1.0
109.98921	0.7
110.03684	1.3
111.04428	7.2
111.08083	1.3
116.98606	3.2
123.04409	100.0
125.05958	3.1
130.96295	1.7
134.99631	3.3
135.04396	38.5
135.11671	0.8
144.53101	0.7
148.97369	5.0
153.00647	0.7
153.05450	17.6
153.06598	1.1
153.09015	1.0
153.12762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78850	0.4
55.01863	0.5
56.96561	5.1
57.03411	0.4
58.00464	0.4
69.90764	0.4
69.91188	0.4
70.98112	0.9
72.08118	0.5
76.76502	0.4
76.96062	0.5
79.05475	0.9
82.51558	0.6
84.01544	0.5
84.08152	1.9
88.04741	0.7
91.05515	0.5
106.06640	0.5
106.07372	0.6
107.04943	2.3
108.05280	0.5
109.05148	2.0
110.03523	11.3
114.41493	0.4
117.58359	0.6
123.04381	0.5
124.07524	0.8
128.04547	5.0
128.98590	0.8
129.51785	0.5
133.10155	0.5
134.05988	5.0
135.03003	16.0
135.09129	0.5
136.01360	0.6
146.99657	0.5
152.05666	100.0
152.06967	6.7
153.04054	37.1
153.05319	0.8
154.02461	0.5
169.22922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Guanine
Peak:m/z	Relative Intensity
52.78850	0.4
55.01863	0.5
56.96561	5.1
57.03411	0.4
58.00464	0.4
69.90764	0.4
69.91188	0.4
70.98112	0.9
72.08118	0.5
76.76502	0.4
76.96062	0.5
79.05475	0.9
82.51558	0.6
84.01544	0.5
84.08152	1.9
88.04741	0.7
91.05515	0.5
106.06640	0.5
106.07372	0.6
107.04943	2.3
108.05280	0.5
109.05148	2.0
110.03523	11.3
114.41493	0.4
117.58359	0.6
123.04381	0.5
124.07524	0.8
128.04547	5.0
128.98590	0.8
129.51785	0.5
133.10155	0.5
134.05988	5.0
135.03003	16.0
135.09129	0.5
136.01360	0.6
146.99657	0.5
152.05666	100.0
152.06967	6.7
153.04054	37.1
153.05319	0.8
154.02461	0.5
169.22922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
50.70145	0.9
53.03928	1.2
53.37906	0.9
54.81093	1.1
56.96535	5.2
57.03429	1.2
65.03918	2.7
67.05481	4.8
69.03417	1.9
69.07038	1.0
79.05472	2.0
81.07076	8.4
86.96809	1.3
91.05465	100.0
93.07024	4.4
95.04965	9.3
95.08566	4.5
98.97603	1.8
105.07024	6.7
106.07299	1.6
107.04925	1.4
107.08574	7.4
109.06498	6.8
109.10123	1.5
116.98549	1.8
118.83951	1.1
119.04920	52.0
123.08025	4.8
128.02383	1.2
132.95821	1.3
133.06427	1.3
133.10114	2.2
136.05161	8.4
137.05951	6.1
150.96913	2.3
151.03822	1.8
151.07523	56.4
151.11153	4.6
156.75519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	(R)-4-hydroxymandelonitrile
Peak:m/z	Relative Intensity
55.15300	0.3
56.96556	0.4
58.04786	0.4
62.30347	0.4
67.93559	4.0
72.93770	1.6
79.05453	0.5
90.90363	0.8
90.94800	1.7
91.05468	0.9
95.04932	1.7
104.04969	12.7
105.07012	4.5
107.04932	2.2
108.95868	0.6
123.07954	0.4
132.04431	100.0
134.72906	0.4
135.04399	2.0
140.95164	0.9
144.98251	0.8
149.94089	0.6
150.02759	1.0
150.05533	1.0
150.06737	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	151.0389
Annotation	Piperonal
Peak:m/z	Relative Intensity
53.03934	4.8
54.05879	0.9
55.01864	6.6
55.05510	1.0
56.96558	1.0
58.49594	0.8
65.03926	15.7
67.05497	15.0
68.99783	1.0
70.76368	1.0
79.05468	4.4
80.83846	1.0
81.03405	1.3
81.07028	4.5
91.05458	26.9
92.09261	1.3
93.03402	1.1
93.07025	2.0
95.04934	10.8
95.08600	1.3
98.87434	1.2
100.02468	7.8
103.81114	1.1
105.06999	5.2
107.08596	1.8
108.02088	18.6
108.70235	1.1
108.88008	1.2
109.02876	1.6
109.06516	6.0
109.53717	7.3
110.03751	1.1
110.22232	1.2
111.04446	4.1
115.01182	1.5
118.03412	7.3
118.04200	2.5
118.54237	4.8
119.03619	1.5
119.04962	11.8
120.52785	4.6
122.02264	1.1
123.08094	1.4
123.53436	1.2
137.05986	1.5
141.05447	16.2
148.55270	1.2
149.05983	14.9
150.06332	1.3
151.03891	100.0
151.05037	32.3
151.07507	19.5
151.11156	1.6
153.83418	1.0
164.55779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
51.31216	0.8
53.03926	1.0
54.05352	0.7
63.99175	0.7
65.03922	5.3
76.56624	1.1
79.05462	1.0
91.05460	100.0
94.67235	0.8
95.04951	9.8
108.05724	4.1
114.37544	1.0
119.04916	49.7
123.08054	1.4
136.05150	9.7
137.05930	6.1
140.86302	0.8
151.06282	2.2
151.07518	53.2
160.53392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.92090	1.7
55.05498	11.8
59.86310	2.2
65.03937	19.4
67.05496	38.0
67.93539	2.6
69.07050	18.2
73.06548	2.5
79.05480	39.3
81.07040	81.3
83.08616	3.6
85.32595	2.7
89.02961	2.5
91.05458	17.9
93.06491	3.5
93.07030	54.7
95.08588	12.9
99.10550	2.4
105.07063	2.9
107.04951	5.8
107.08582	50.1
111.04449	4.5
121.02838	25.6
121.03917	4.7
121.10115	21.6
127.97958	2.0
149.02333	59.3
149.09592	15.0
149.13240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01865	5.0
55.05512	12.1
57.03419	12.3
58.99849	4.8
60.04510	8.9
65.03925	5.8
67.05494	16.3
67.93544	1.8
68.02650	2.1
68.52692	1.1
69.03417	3.0
71.02977	1.3
71.04976	6.1
73.02885	1.8
77.00864	2.1
78.17380	1.1
78.52928	2.0
79.05481	1.4
80.02936	2.6
80.03478	2.1
80.06268	2.2
81.03390	15.3
81.07035	4.8
82.01426	5.8
83.04971	19.8
85.01389	5.7
85.02879	6.6
86.03663	3.0
86.52682	2.1
87.04434	1.6
87.53519	1.4
88.51698	12.0
90.52951	1.9
91.05466	5.3
93.03344	1.6
93.07023	11.0
94.54203	1.4
95.04964	1.8
98.04643	1.8
99.04438	1.9
99.53450	7.4
100.00060	1.7
100.02462	46.2
100.05239	1.6
101.00841	1.7
102.04203	2.0
103.02434	49.5
104.02514	6.9
104.52670	2.6
107.05244	31.9
107.55338	6.3
109.02855	8.8
111.03656	2.5
111.04427	73.8
112.04746	5.3
113.00891	1.4
113.53178	2.7
115.02381	1.6
116.05765	100.0
116.55853	23.3
118.01118	8.8
118.03503	18.5
119.01907	15.2
120.53944	1.8
121.02700	2.2
121.03472	38.8
121.78889	1.2
122.03633	3.5
122.53709	1.3
123.01684	1.6
125.06285	9.2
125.56316	1.2
127.56566	10.3
129.03922	5.5
129.04715	11.8
129.54607	6.2
131.01877	9.0
132.05028	1.5
133.03409	3.0
136.02216	1.3
138.05232	4.9
138.55136	1.6
140.95197	1.3
141.02710	14.2
141.03804	2.0
142.03473	11.2
144.04993	1.8
145.02287	1.6
145.03448	5.3
147.04997	21.3
147.15517	1.4
148.05148	2.5
149.02350	2.5
149.97148	1.9
154.03474	3.0
159.05020	2.0
160.04552	1.7
161.06546	1.6
164.48114	1.5
165.06091	11.8
169.07089	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92090	1.7
55.05498	11.8
59.86310	2.2
65.03937	19.4
67.05496	38.0
67.93539	2.6
69.07050	18.2
73.06548	2.5
79.05480	39.3
81.07040	81.3
83.08616	3.6
85.32595	2.7
89.02961	2.5
91.05458	17.9
93.06491	3.5
93.07030	54.7
95.08588	12.9
99.10550	2.4
105.07063	2.9
107.04951	5.8
107.08582	50.1
111.04449	4.5
121.02838	25.6
121.03917	4.7
121.10115	21.6
127.97958	2.0
149.02333	59.3
149.09592	15.0
149.13240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
54.66725	2.8
55.05469	3.1
61.15188	2.8
64.33516	2.7
65.03931	28.5
67.05486	27.5
69.07046	4.8
79.05477	29.3
81.07027	48.5
91.05460	21.7
92.09358	6.9
93.03402	5.8
93.07016	50.2
104.19981	3.1
107.08568	40.4
111.04419	6.9
121.02822	41.1
121.03609	4.2
121.10139	16.9
149.02332	100.0
149.06023	16.3
149.09647	5.2
149.13243	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03934	1.9
55.05486	10.1
65.03918	14.1
65.73243	2.1
67.05495	47.0
69.07038	11.9
74.23190	2.3
79.05480	37.0
81.06600	4.1
81.07039	79.3
83.08598	2.9
91.05450	16.9
92.09338	5.8
93.03374	2.6
93.07024	73.0
95.04987	2.4
95.08567	14.6
101.76659	2.5
104.12033	2.6
105.06998	5.2
107.08577	64.8
121.02839	16.1
121.03979	3.2
121.10112	20.8
131.08643	2.6
149.02325	39.7
149.09590	6.1
149.13229	100.0
159.07634	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03938	1.3
55.01866	2.6
69.03424	2.3
69.47219	1.4
73.50404	1.5
76.70769	1.6
79.05054	2.0
79.05479	28.3
80.11356	1.4
81.03405	1.6
90.74791	1.5
91.05466	23.1
93.07027	53.0
105.07024	24.8
107.04968	13.0
107.08590	6.5
115.40320	1.6
116.06192	2.8
119.08558	10.5
121.10113	34.5
123.07997	2.6
131.08551	17.0
149.09601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
51.59900	1.5
53.03940	1.5
55.05244	1.8
55.05500	16.9
56.96553	9.5
57.07064	2.7
63.73048	1.3
64.32629	1.6
65.03922	8.2
67.05481	8.8
69.07055	13.8
69.75813	1.2
79.05471	50.9
81.07039	27.1
83.08601	1.7
90.64957	1.8
91.05447	26.5
92.08488	1.4
93.03363	1.8
93.07021	100.0
95.04945	7.9
95.08591	2.6
105.07013	11.4
107.04838	1.6
107.08580	79.4
109.06532	2.7
113.43323	1.5
117.90731	1.6
121.02896	12.4
121.03973	1.6
121.06481	3.4
121.10123	32.2
131.48114	1.4
149.02330	33.2
149.09593	6.9
149.13231	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03914	1.5
54.81699	1.3
55.05487	7.5
59.18233	1.3
60.25979	1.4
61.26749	1.2
65.03915	3.3
67.05153	2.5
67.05490	54.4
67.34655	1.3
69.07044	13.4
73.92421	1.2
79.05055	2.4
79.05470	44.0
81.07037	100.0
83.08579	7.3
89.17154	1.4
91.05447	9.8
93.06416	2.2
93.07017	67.7
95.04939	2.6
95.08573	12.8
105.07007	2.7
107.07875	2.2
107.08574	55.8
118.40583	1.6
119.31521	1.3
121.02838	3.0
121.10094	14.2
128.77179	1.4
128.98694	1.3
136.56552	1.4
149.02315	12.4
149.09544	1.8
149.13226	92.8
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
53.03939	1.8
55.53385	0.8
65.03917	1.4
69.03407	5.0
73.65116	1.0
74.59969	0.9
79.05489	13.1
86.02912	0.9
91.05468	41.9
93.07024	19.8
95.04952	2.0
99.83750	0.8
103.05453	6.1
105.07018	29.3
106.07785	1.6
107.04916	1.0
107.08613	3.8
109.06503	2.3
115.05454	5.9
116.06219	24.6
116.31879	1.0
119.08575	6.0
121.02875	1.3
121.06487	21.6
121.10123	34.3
123.07996	6.7
129.06978	5.9
131.07645	1.2
131.08557	21.9
133.06505	1.3
133.07542	1.9
134.07294	1.8
147.08061	2.3
149.02292	6.8
149.09607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.53385	0.8
65.03917	1.4
69.03407	5.0
73.65116	1.0
74.59969	0.9
79.05489	13.1
86.02912	0.9
91.05468	41.9
93.07024	19.8
95.04952	2.0
99.83750	0.8
103.05453	6.1
105.07018	29.3
106.07785	1.6
107.04916	1.0
107.08613	3.8
109.06503	2.3
115.05454	5.9
116.06219	24.6
116.31879	1.0
119.08575	6.0
121.02875	1.3
121.06487	21.6
121.10123	34.3
123.07996	6.7
129.06978	5.9
131.07645	1.2
131.08557	21.9
133.06505	1.3
133.07542	1.9
134.07294	1.8
147.08061	2.3
149.02292	6.8
149.09607	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	148.0604
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
56.05029	6.9
56.96557	0.3
57.03438	0.3
57.07064	0.2
60.04513	4.9
65.84565	0.2
67.05492	0.4
70.02938	0.5
71.04969	0.3
74.02418	1.8
84.04489	100.0
84.08131	2.7
85.02893	2.4
85.04265	0.5
85.04820	10.4
85.06525	1.3
85.08456	1.1
88.03973	7.5
89.08885	0.3
92.05804	0.3
92.08708	0.6
94.52396	0.3
97.07932	0.3
102.05523	22.8
102.09154	0.6
106.05011	4.1
112.07571	0.5
112.44739	0.3
113.06012	0.4
120.05246	1.3
127.97027	0.3
130.04977	14.9
130.08594	0.6
131.03291	0.3
131.05336	6.1
131.06949	0.3
145.66269	0.3
148.04897	0.6
148.06035	5.0
148.09648	0.6
148.11215	1.9
169.65118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0758
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
55.05492	0.9
55.49850	0.6
56.96555	8.1
65.03922	0.9
75.97462	0.8
79.05453	0.8
84.04478	3.4
85.02887	0.9
91.05444	1.0
92.05795	3.4
98.41582	0.8
101.22272	0.8
106.06543	100.0
107.04965	1.1
108.84116	0.8
111.03815	1.3
111.04475	1.1
120.04447	1.0
120.05251	3.3
124.97613	1.2
130.02904	1.1
148.02878	0.9
148.03830	1.6
148.04840	3.6
148.07558	67.8
149.02312	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88023	0.6
53.00315	0.8
54.44645	0.7
55.05507	10.4
58.93365	0.6
62.35222	0.7
64.92798	1.1
67.05499	1.4
69.03426	1.0
69.07061	5.1
72.08140	1.0
79.05473	3.9
85.02877	1.1
89.83504	0.7
91.05464	27.6
93.07021	1.7
103.05441	1.4
105.07016	78.4
107.08591	6.2
111.04402	0.9
117.07001	8.8
119.04911	6.5
119.08561	88.5
131.08495	0.8
132.09335	1.8
145.10106	4.9
147.04390	7.0
147.08031	4.0
147.11670	100.0
154.34773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
54.74404	0.7
55.05508	12.4
60.47311	0.6
61.17672	0.6
64.92792	1.7
65.03912	1.0
67.05473	1.8
69.03406	3.3
69.07057	6.0
69.07357	0.7
72.08138	1.6
79.05464	4.7
79.83130	0.7
81.07060	1.0
83.04941	1.2
84.04510	1.4
84.08139	1.7
85.02892	2.8
85.03372	0.8
91.04884	1.5
91.05453	38.6
93.07016	1.7
103.05449	1.7
104.06258	0.8
105.07007	99.0
107.08585	3.3
111.04391	1.0
117.06994	5.1
119.04929	12.4
119.08553	82.6
123.96432	5.5
130.04976	0.9
132.09300	1.2
144.28706	0.8
145.10089	6.6
147.04401	10.4
147.05453	1.4
147.08008	1.3
147.11661	100.0
148.82193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
54.55671	0.5
55.05268	0.6
55.05508	11.3
58.26319	0.5
65.03934	0.5
67.05488	2.7
69.07053	7.6
74.85464	0.5
79.05466	5.3
81.07036	1.1
91.05463	28.4
92.09360	1.2
93.07027	1.4
103.05450	1.1
105.07012	100.0
107.08541	1.3
114.36430	0.6
117.07011	6.3
119.08558	91.2
132.09323	1.5
145.10089	6.2
147.11667	95.3
148.11987	1.0
150.61588	0.7
156.66087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05502	14.0
56.96562	1.1
57.03410	0.9
60.38487	0.8
62.01477	0.8
62.97572	0.8
64.92789	1.5
65.03948	1.4
67.05494	2.2
69.03404	4.3
69.07036	6.7
72.08130	4.4
79.05463	1.6
81.07032	1.5
83.04950	1.6
84.08134	1.8
85.02878	2.4
88.57690	1.2
91.05462	51.1
93.07008	2.0
95.02128	1.0
97.34461	1.0
103.05447	1.4
105.07017	92.6
107.08562	1.4
110.66272	1.1
111.04426	1.5
117.06979	5.5
119.04920	19.6
119.08559	84.6
123.96427	5.2
131.08549	1.2
132.09300	2.0
134.28046	1.0
145.10143	4.2
147.04416	20.2
147.05482	2.6
147.08064	4.0
147.11668	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.81184	1.7
55.05506	20.4
55.49845	1.7
64.92777	14.1
67.05495	2.3
69.03403	9.6
69.07051	3.9
79.05466	10.9
83.04963	3.1
84.04512	3.4
85.02890	4.0
91.05460	52.6
97.90076	1.9
103.05459	2.5
103.90525	2.2
104.90823	3.0
105.07009	96.5
107.04911	3.8
117.06992	12.5
119.04915	8.7
119.08554	100.0
123.96428	22.5
129.07028	2.5
132.09323	2.8
145.10133	7.5
147.04367	11.7
147.05478	7.0
147.08018	27.0
147.11668	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.85911	0.8
54.48413	0.6
55.05508	11.6
58.87668	0.6
64.92761	1.2
65.36588	0.7
67.05482	1.6
69.03416	1.9
69.07043	5.3
78.12209	0.7
79.05466	5.1
81.03443	0.9
81.07031	1.5
84.04491	1.3
84.08104	1.4
91.05460	30.3
92.08748	1.1
93.07017	1.7
103.05427	1.2
105.07013	80.5
107.08570	4.6
117.06993	7.8
119.04910	5.2
119.08562	96.1
123.96449	1.4
132.09328	4.2
145.10069	6.1
147.04382	6.8
147.08047	3.3
147.11673	100.0
163.56044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.00452	0.8
51.87117	0.8
64.92799	9.6
65.03938	7.8
65.79201	0.8
69.03410	1.1
77.21780	0.8
91.05466	98.9
119.04922	100.0
119.08535	1.0
123.96424	20.5
146.98026	0.9
147.04393	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53981	0.3
55.05504	0.6
58.06591	4.6
65.03926	7.9
72.08136	52.7
73.07843	0.4
73.08465	6.0
75.09225	1.9
75.15015	0.3
83.04971	0.8
84.04491	0.7
84.08125	8.2
85.08433	0.5
90.03793	0.3
90.42831	0.3
91.05460	81.2
92.05828	1.3
95.47871	0.3
99.04442	2.0
106.84923	0.3
107.04920	0.3
112.11220	13.1
113.11534	2.7
119.04917	100.0
120.05265	2.9
129.05492	0.4
129.13855	2.9
130.14195	0.6
135.14326	0.3
146.16533	2.5
147.04388	90.6
147.16837	0.5
148.04742	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
58.06590	4.7
65.03925	6.6
68.99774	0.9
72.08141	49.0
73.08482	5.9
75.09227	2.5
79.56078	0.4
83.05031	0.5
84.04499	1.0
84.08125	8.7
91.05463	83.6
92.05774	2.0
95.04964	0.6
112.11230	12.2
113.11556	3.0
119.04922	100.0
120.05283	2.5
123.96484	0.5
129.13850	4.0
130.14215	0.7
146.16508	3.0
147.04395	86.5
147.16835	0.7
148.04724	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
52.27508	1.1
53.03936	3.0
53.19580	1.3
54.99841	1.2
55.01865	18.3
55.05490	2.1
57.03427	18.4
61.02911	7.3
69.03416	54.3
71.04974	8.0
73.02908	2.4
73.76341	1.1
81.03391	12.4
83.01354	1.5
83.08620	1.5
85.02892	100.0
87.04436	4.9
96.17715	1.4
97.02871	27.4
99.04436	33.1
100.07589	1.5
109.02874	5.6
116.55193	1.3
121.96618	1.8
127.03874	13.3
145.04938	2.9
145.10542	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	146.0924
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
56.05016	1.5
56.34111	0.6
58.06589	0.6
60.05350	1.1
60.05634	19.2
68.99760	1.0
69.03414	5.9
70.03732	1.1
71.04976	0.7
71.84599	0.6
72.04515	0.6
74.76214	0.7
81.66068	0.8
82.06557	0.7
82.77460	0.6
83.06090	2.7
84.04491	10.8
85.02876	1.3
86.03196	1.1
86.06052	71.5
87.00800	0.9
87.04452	92.0
98.03228	0.9
100.07582	3.1
104.07081	16.8
111.05541	10.3
116.45400	0.8
128.07054	3.1
128.08168	11.9
129.01785	1.6
129.06569	4.5
130.04956	3.1
143.68764	0.7
146.09221	100.0
151.86981	0.7
157.83549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55542	0.4
55.75578	0.4
62.63157	0.4
82.99829	0.9
100.02451	0.8
101.00866	24.3
101.01525	1.1
119.01905	100.0
124.02428	0.8
136.10138	0.4
137.02940	36.6
137.50017	0.8
142.03481	29.4
152.66782	0.5
160.04544	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	143.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	90.7
57.03421	5.3
59.04989	41.8
60.14487	5.8
61.02916	96.8
65.78258	5.0
69.03404	7.5
70.06572	10.3
71.04939	6.8
71.44176	5.7
75.90539	5.4
79.78676	4.6
81.04521	5.9
83.01321	87.8
84.02103	11.0
85.02875	6.1
87.04452	100.0
92.08664	4.9
92.68806	5.7
96.13935	4.8
97.02860	9.4
97.07626	11.9
102.51057	5.5
111.00778	23.3
114.37078	6.2
115.03896	34.5
119.01896	7.8
120.02010	9.9
123.55972	4.8
125.02341	13.4
125.07133	7.5
141.12608	5.7
143.03386	38.4
143.08130	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0339
Annotation	Kojic acid
Peak:m/z	Relative Intensity
55.01867	90.7
57.03421	5.3
59.04989	41.8
60.14487	5.8
61.02916	96.8
65.78258	5.0
69.03404	7.5
70.06572	10.3
71.04939	6.8
71.44176	5.7
75.90539	5.4
79.78676	4.6
81.04521	5.9
83.01321	87.8
84.02103	11.0
85.02875	6.1
87.04452	100.0
92.08664	4.9
92.68806	5.7
96.13935	4.8
97.02860	9.4
97.07626	11.9
102.51057	5.5
111.00778	23.3
114.37078	6.2
115.03896	34.5
119.01896	7.8
120.02010	9.9
123.55972	4.8
125.02341	13.4
125.07133	7.5
141.12608	5.7
143.03386	38.4
143.08130	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0914
Annotation	Tyramine
Peak:m/z	Relative Intensity
51.02358	0.2
53.03949	1.3
55.01862	0.3
55.05504	0.3
55.93510	0.2
56.96549	0.8
59.58686	0.1
61.62791	0.1
65.03926	0.3
68.25466	0.2
68.99799	1.1
70.06565	1.2
72.08142	0.6
77.03917	0.3
79.05478	0.2
79.60990	0.1
84.08137	1.9
90.08434	0.2
91.05466	8.0
92.05811	0.2
92.08619	0.3
93.07027	12.4
95.04947	3.6
97.03993	0.2
103.05455	10.5
105.04493	0.3
107.02878	0.2
107.04963	0.6
108.55486	0.2
110.06044	0.2
111.00777	0.2
119.04937	2.0
121.06490	100.0
122.06816	0.7
138.05516	0.3
138.06546	1.2
138.09122	0.8
147.04402	7.8
148.04762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81716	0.4
55.01866	8.6
55.05505	1.1
65.03917	0.8
67.01844	0.7
67.05494	0.4
68.99780	100.0
72.74493	0.5
76.56236	0.4
83.04973	2.9
86.82693	0.4
91.05434	0.5
95.91703	0.5
99.91223	0.4
111.00795	37.1
111.04424	2.3
111.82152	0.4
121.02948	0.4
121.03963	1.0
129.01851	2.5
139.00266	2.7
139.03894	1.1
139.04980	0.5
144.03259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.10368	1.1
51.72932	1.1
51.88591	1.0
53.03926	2.1
55.01862	2.3
55.05493	6.3
55.93528	1.2
56.55318	1.0
57.03408	1.2
58.46622	1.0
65.03921	2.1
66.79699	1.2
67.05496	42.8
69.03411	5.1
69.07065	1.6
79.05474	9.2
81.03411	3.0
81.07036	16.8
91.05469	24.8
92.09349	2.9
93.07024	6.7
94.04167	10.6
95.04958	10.5
95.08582	6.8
103.05424	1.2
105.04496	1.5
107.04932	11.6
107.08574	2.2
109.06506	48.1
109.10149	38.6
117.07012	1.8
119.08577	14.1
121.06479	2.1
122.03627	21.6
122.07269	44.9
137.05957	46.8
137.09598	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	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03934	0.3
53.46402	0.1
54.81169	0.1
55.70017	0.1
57.03425	0.5
62.73373	0.1
65.03934	0.5
67.05502	0.3
68.37550	0.1
69.03382	0.2
71.04980	0.2
79.53945	0.1
81.03384	0.1
82.01418	0.1
90.44444	0.1
92.04982	2.4
92.74731	0.1
93.05759	0.3
93.07030	0.3
94.06544	11.0
95.04939	0.2
96.04469	2.0
100.00130	0.2
100.02443	0.8
100.15624	0.1
103.05458	0.3
106.56487	0.2
110.06024	9.1
116.34504	0.1
118.01120	0.1
118.03493	0.2
119.01885	0.7
121.06483	4.9
138.05479	100.0
139.05870	0.3
141.02655	0.2
142.03497	0.3
151.98663	0.1
154.03630	0.2
154.04988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.70731	0.8
53.03929	1.6
54.81643	0.9
55.01862	1.9
55.05501	4.6
61.74200	0.8
65.03920	4.0
67.05143	1.6
67.05494	47.5
69.03408	5.0
79.05474	7.1
81.03391	1.9
81.07036	19.9
83.04965	2.1
84.82060	0.9
91.05468	19.1
93.07025	3.9
94.04167	16.8
95.04942	13.3
95.08572	9.3
105.04498	1.1
107.04961	10.5
107.08591	4.4
108.05725	1.5
109.06504	43.2
109.09387	1.8
109.10140	46.7
114.92844	1.1
117.06998	2.2
119.06075	1.6
119.08538	10.3
121.06495	4.0
122.03641	24.4
122.07254	41.1
137.05960	70.7
137.09596	100.0
138.06204	1.0
147.30858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.72433	0.6
50.75353	0.8
53.00279	0.6
53.03936	1.7
55.01855	5.1
55.05493	5.0
57.03434	1.1
57.36949	0.7
62.70880	0.8
65.03931	2.7
67.05145	1.6
67.05491	45.0
69.03409	3.5
69.07037	1.0
79.05469	5.8
81.03379	3.6
81.07035	17.8
83.04952	1.7
91.05461	22.3
92.65172	0.8
93.07014	4.0
94.04156	5.0
94.07817	1.3
95.04945	16.1
95.08604	7.3
97.19050	0.8
107.04945	11.3
107.08567	5.0
108.05751	1.3
109.06505	46.2
109.10138	40.8
117.06971	1.2
119.06052	1.1
119.08553	12.1
121.06474	3.6
122.03629	9.9
122.06383	1.7
122.07262	38.7
137.05963	24.8
137.09596	100.0
147.91058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.9
51.64606	0.6
53.03942	0.9
53.56224	0.6
55.01878	1.8
55.05503	6.7
55.93496	0.7
57.03441	1.0
65.03918	3.2
65.25494	0.7
65.80326	0.8
67.05148	1.7
67.05496	43.9
69.03407	3.3
69.07041	0.8
69.94255	0.7
75.73524	0.8
79.05472	7.5
81.03396	1.8
81.07046	18.4
83.04967	1.8
84.55988	0.8
89.49135	0.8
91.05460	19.8
92.08675	0.8
92.57591	0.8
93.07028	7.4
93.07578	0.6
94.04174	10.6
95.04951	13.1
95.08568	8.0
95.87090	0.7
103.05419	0.8
107.04965	10.7
107.08575	4.2
108.05744	1.6
109.06505	48.4
109.10144	47.6
117.06992	3.2
119.06063	3.2
119.08566	11.8
121.06484	3.2
122.03635	19.9
122.07272	37.2
135.08015	1.5
137.05969	47.3
137.09601	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03929	0.2
65.03922	0.5
66.04705	1.9
67.05478	0.2
79.05482	2.0
81.07025	1.3
88.66896	0.2
91.05470	2.1
94.04166	19.4
95.04920	0.9
105.03395	0.3
107.04940	1.2
109.06490	0.4
122.03622	39.4
135.04344	0.3
135.58521	0.2
137.05956	100.0
138.06290	0.6
145.30634	0.2
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	m-Methylbenzoate
Peak:m/z	Relative Intensity
53.75945	0.4
65.03936	4.1
74.52132	0.4
74.83379	0.4
79.05478	2.7
79.22266	0.4
81.07040	4.1
91.05466	97.2
94.04166	9.0
107.04916	1.0
109.06506	2.9
117.78509	0.4
119.04925	37.5
122.03632	17.7
137.05960	100.0
138.06319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
53.03921	0.4
55.01881	3.2
65.03945	0.4
66.04709	2.1
66.37804	0.4
67.05504	0.9
77.00770	0.4
79.05489	3.4
81.07036	5.7
91.05460	5.6
92.08710	1.1
92.57225	0.5
92.71840	0.4
93.07050	0.5
94.04169	17.4
95.04951	0.9
95.08568	0.7
105.03386	0.4
107.04950	0.6
109.06498	1.0
109.10139	0.7
119.04913	0.8
122.03633	34.9
137.05963	100.0
138.06317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02338	0.3
53.03939	0.3
55.05542	0.3
60.92306	0.3
65.03913	0.4
66.04715	2.4
67.05477	0.5
77.03889	0.3
79.05456	2.0
81.07036	1.4
87.02768	0.3
88.16537	0.4
91.05462	2.3
94.04164	17.5
95.04922	0.4
95.08543	0.4
107.04926	0.6
109.06487	0.7
119.04890	0.3
122.03621	35.4
136.21696	0.4
137.05954	100.0
138.06265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0593
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
54.81614	0.6
55.93502	0.5
65.03925	0.6
66.04699	0.6
67.05486	1.0
76.20678	0.5
79.05466	3.4
81.07030	3.7
90.75026	0.5
91.05472	2.4
93.07001	1.1
94.03558	0.7
94.04157	18.0
95.04937	0.9
95.08591	1.4
109.06519	0.8
109.10141	1.0
112.79134	0.6
114.43793	0.6
122.03622	38.0
137.05949	100.0
137.09576	1.1
138.06284	1.0
159.90527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03944	0.7
63.18422	0.5
66.04700	2.6
67.05490	0.5
73.90914	0.5
79.05476	2.4
81.07047	1.5
91.05468	2.3
94.04178	20.2
95.08582	0.7
107.04987	0.8
122.03635	42.2
125.27191	0.6
137.05957	100.0
137.09624	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
56.92317	0.3
60.22555	0.4
61.81561	0.3
65.03935	0.3
66.04695	2.2
79.05462	2.5
81.07030	0.7
91.05445	2.3
94.04160	18.9
94.76524	0.4
95.04958	0.7
97.34242	0.3
107.04911	0.5
107.50730	0.4
118.79819	0.4
122.03616	35.4
137.05951	100.0
138.06282	0.5
148.27292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.43385	0.4
53.03931	1.0
53.97287	0.4
55.01847	3.8
55.05505	6.0
55.55845	0.5
58.33172	0.4
65.03925	1.0
66.04701	1.2
67.05155	1.0
67.05494	22.0
69.03417	2.7
69.07051	0.5
70.02065	0.4
79.05470	5.9
81.07038	11.5
84.43546	0.5
91.05470	7.4
92.08672	0.5
93.07027	4.5
94.04169	18.7
95.04935	2.8
95.08585	16.3
95.09122	0.5
105.04509	0.6
107.04932	0.7
109.06487	2.7
109.10149	8.8
111.08043	0.9
119.08591	0.6
122.03624	37.4
122.07305	0.7
135.94107	0.5
137.05954	100.0
137.09583	11.0
138.06290	0.6
147.25645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.35889	1.3
53.03923	2.7
53.11491	1.1
55.05501	6.2
67.05478	1.6
67.86000	1.4
72.28286	1.3
79.05499	10.6
83.17518	1.2
91.05464	32.8
93.07030	43.7
95.04958	6.9
105.04536	2.1
105.07013	17.3
107.04953	2.3
107.08581	100.0
109.06536	6.5
114.20050	1.4
116.98570	1.9
117.07005	1.8
119.06077	2.0
119.08560	15.0
120.09341	3.3
135.08116	2.2
135.11679	49.6
141.13628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35889	1.3
53.03923	2.7
53.11491	1.1
55.05501	6.2
67.05478	1.6
67.86000	1.4
72.28286	1.3
79.05499	10.6
83.17518	1.2
91.05464	32.8
93.07030	43.7
95.04958	6.9
105.04536	2.1
105.07013	17.3
107.04953	2.3
107.08581	100.0
109.06536	6.5
114.20050	1.4
116.98570	1.9
117.07005	1.8
119.06077	2.0
119.08560	15.0
120.09341	3.3
135.08116	2.2
135.11679	49.6
141.13628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96288	0.5
56.96547	0.7
62.72051	0.4
63.44043	0.5
80.86893	0.5
80.95818	0.7
84.07226	0.5
91.05458	0.7
94.04060	1.3
109.05057	0.6
110.85088	0.6
117.43303	0.5
119.03535	6.0
134.97681	0.5
136.02173	2.3
136.06169	100.0
137.04604	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	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
50.55318	0.1
54.81922	0.1
60.10511	0.1
61.29910	0.1
63.68791	0.1
67.02968	0.2
69.33945	0.1
84.58305	0.1
87.50843	0.1
91.05450	0.2
92.02437	0.2
94.04025	1.5
94.37579	0.2
109.05093	0.2
119.03530	5.6
119.04847	0.2
123.19156	0.1
123.55212	0.1
136.06165	100.0
137.04556	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60979	0.5
54.81544	0.6
62.65716	0.5
67.05478	0.8
67.60785	0.5
81.03381	1.0
81.07043	1.5
95.08578	1.2
96.55752	0.6
100.02435	3.1
101.00858	11.8
102.02200	0.9
118.03538	2.3
119.01895	100.0
137.02939	55.7
137.04031	1.1
142.03502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.50783	0.3
54.81305	0.5
55.01860	0.4
56.96557	0.4
65.03924	0.6
66.04706	2.2
69.67112	0.4
71.55573	0.4
79.05468	2.1
79.40348	0.4
81.07017	0.6
84.55633	0.4
91.05465	2.0
94.04169	20.9
95.04965	0.6
105.03375	0.4
107.04955	0.9
122.03632	40.0
137.05965	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
54.81641	2.9
55.05500	2.7
56.96563	3.8
58.05742	2.6
65.41865	2.5
67.05486	12.6
68.55666	3.5
69.03767	3.0
69.07061	5.3
71.02958	11.1
71.53002	3.6
73.14017	2.9
79.05482	57.0
81.07043	13.8
82.53786	3.8
91.05467	26.7
92.63991	3.2
93.07027	73.0
95.04932	7.6
105.07010	5.6
107.04954	5.6
107.08583	82.3
109.06531	3.3
115.62547	2.9
116.98618	4.7
131.41071	3.5
135.04375	3.7
135.06645	6.7
135.08029	21.7
135.11681	100.0
136.02148	29.8
136.06177	20.7
141.22371	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
55.05489	7.6
59.89384	1.6
60.65450	1.8
65.16946	1.5
67.05496	47.4
69.07079	6.7
71.02954	9.7
79.05475	45.1
80.03494	3.3
81.07042	24.9
91.05465	11.9
93.06489	3.1
93.07030	60.1
95.04948	3.4
101.38146	1.8
105.07027	2.0
107.08590	51.5
108.04557	2.2
108.28616	2.1
135.04391	2.1
135.08025	4.3
135.11678	100.0
136.02148	8.8
136.06149	8.6
154.82913	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
53.61318	1.0
55.05489	7.7
61.19184	1.1
62.98192	1.0
65.03915	1.4
67.05487	55.7
69.07044	7.8
71.02962	5.7
71.53009	1.2
79.05472	44.6
80.03481	2.8
81.07033	25.2
91.05457	14.0
93.07018	73.5
95.04938	2.1
100.00629	1.0
105.07027	2.9
107.08569	47.2
117.48355	1.2
135.08054	2.2
135.11659	100.0
136.02165	5.4
136.06175	7.0
143.65627	1.1
148.82709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02374	1.3
53.03942	3.8
67.05483	0.7
67.77514	0.3
71.02988	0.4
77.03918	5.2
77.48680	0.3
79.05473	11.0
80.30716	0.3
84.22543	0.3
84.89720	0.3
93.07014	1.7
94.77644	0.3
95.04947	10.7
99.80350	0.3
105.03388	8.5
105.04499	2.3
107.04955	0.5
107.08576	2.0
110.47054	0.3
135.04395	100.0
135.11647	0.6
136.04724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03923	0.3
55.05502	0.2
56.37938	0.2
56.96546	0.2
78.00034	0.2
79.05471	3.1
91.05457	1.2
93.07019	1.3
95.04935	2.1
98.97555	1.1
104.17120	0.2
105.04485	0.2
105.07058	0.3
107.04936	100.0
107.08583	1.9
108.05267	0.2
111.93791	0.2
115.05402	0.4
116.98571	0.9
120.05687	0.4
120.42700	0.2
134.99626	0.4
135.08026	7.1
135.11650	0.9
136.02119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00310	1.8
53.03930	2.8
53.54980	1.9
55.01868	2.0
55.05513	26.4
56.96559	35.9
57.03184	3.3
57.03434	71.0
57.15162	1.7
59.04995	60.6
60.74411	1.9
71.04959	2.5
71.95217	3.1
73.06535	4.9
75.04472	35.5
79.05477	27.1
81.07028	4.0
85.99374	1.8
91.05454	10.0
93.07034	15.2
95.04939	9.7
98.97564	63.2
99.08071	14.0
102.76831	2.0
105.04508	2.8
105.07004	2.4
107.04949	36.7
107.08582	25.5
115.05494	2.7
116.97826	3.9
116.98606	75.7
134.99643	100.0
135.04417	19.7
135.05370	2.6
135.06859	2.1
135.08031	8.4
135.09169	2.1
135.11690	4.2
136.02150	23.9
136.06168	29.5
142.77570	2.0
153.00676	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0601
Annotation	Indolin-2-one
Peak:m/z	Relative Intensity
54.44216	0.8
56.96566	7.5
65.03917	5.3
67.33904	1.1
74.93143	1.6
74.93814	5.1
79.05473	5.1
91.05463	87.6
92.63458	1.3
98.97564	10.6
106.04151	1.5
106.06548	41.7
106.07286	2.6
107.04945	4.0
107.08576	1.3
109.06503	21.7
112.11203	1.3
115.59924	1.1
116.04948	2.2
116.98599	11.8
119.06069	7.5
124.05174	4.2
133.97429	1.0
134.05991	100.0
134.06787	3.8
134.99632	12.5
135.04398	1.9
153.00705	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	134.0713
Annotation	2-Aminobenzimidazole
Peak:m/z	Relative Intensity
56.96561	1.2
59.04990	0.2
63.86605	0.1
64.14143	0.2
65.03919	0.4
74.02421	0.2
74.93153	0.2
74.93797	1.1
81.04551	0.2
92.04988	3.8
92.08664	0.2
92.94863	0.2
93.05763	0.9
98.97581	2.2
107.04943	0.2
107.06077	0.6
115.96410	0.7
116.98595	2.0
120.04162	0.1
123.07896	0.2
124.76390	0.1
134.07115	100.0
134.99632	2.8
135.07420	0.3
145.27832	0.2
153.00691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01851	3.7
57.03430	21.5
57.07056	2.5
58.99850	2.6
59.52180	0.6
59.71894	0.5
59.99922	0.7
60.38717	0.5
61.02910	2.9
64.33192	0.5
68.02639	1.0
68.52714	0.9
69.03416	7.0
70.99866	0.6
71.04958	1.1
72.52948	4.4
73.02900	8.1
74.52717	0.6
75.01875	0.7
77.00878	3.0
78.52932	4.0
80.52690	1.0
81.03396	5.1
81.53465	1.0
82.01406	3.2
84.53876	0.7
85.02907	2.5
85.53711	2.3
86.52684	19.9
86.99278	0.7
87.02754	2.9
87.10995	0.6
87.53445	1.3
88.02667	6.7
88.51672	8.8
89.00890	0.6
89.01728	2.9
89.51560	5.0
93.53455	3.0
94.03542	0.6
94.54224	1.4
95.01929	1.1
95.53204	15.3
96.03281	3.0
97.02898	3.2
97.52172	2.4
98.52084	0.8
98.52671	0.8
99.04428	3.8
99.53434	4.1
100.02462	28.4
100.52441	1.1
101.00854	13.6
101.02514	4.8
102.00975	3.5
102.02354	7.5
102.52473	0.9
103.00629	4.2
103.02423	4.5
104.02523	0.7
105.00359	1.4
109.02837	0.9
110.52049	4.7
111.02177	1.2
111.02917	5.6
111.51859	0.9
111.52985	0.9
113.00857	1.2
113.53185	2.6
114.03263	0.7
115.02402	3.9
116.98634	0.6
118.03506	22.7
119.01901	100.0
119.03648	4.1
119.48888	0.7
120.01988	35.2
120.03271	1.3
121.01642	33.0
121.03477	4.7
122.53726	2.8
124.02431	4.6
125.02554	0.9
125.99197	6.6
126.49274	1.0
126.99089	1.0
127.03922	1.1
128.49483	1.4
128.99490	1.1
129.03932	0.8
131.01889	15.9
131.02782	1.3
131.52573	1.4
131.54272	0.8
132.01955	1.3
133.03397	5.3
134.03596	1.3
134.99631	0.9
136.04515	0.7
137.02933	47.0
137.49991	19.4
138.00061	6.3
138.03014	21.2
138.49875	8.4
139.02669	19.7
140.00166	0.7
141.02765	0.6
141.05072	0.9
142.03477	63.9
143.01859	3.6
143.03603	20.6
144.03210	17.3
144.05009	1.0
145.03513	2.7
145.05228	0.8
147.05035	3.3
149.00792	2.6
149.02953	5.5
149.50859	1.3
150.00638	1.4
154.03491	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.59501	1.0
55.05497	4.7
56.82626	1.0
56.96561	1.6
57.71165	1.0
67.05494	16.0
79.05473	13.5
87.10018	1.8
88.02195	17.9
89.00227	28.0
90.00101	2.4
91.05460	100.0
93.07067	1.3
98.00750	45.4
98.50902	2.7
99.00592	9.0
100.51019	8.9
101.50848	1.3
103.05410	2.0
105.07011	73.5
107.01283	4.9
108.01145	2.3
109.51568	2.0
110.51408	1.3
115.05432	1.5
117.06980	2.3
117.95982	14.9
118.96753	2.5
131.08521	2.3
133.06474	9.2
133.07535	2.5
133.10109	63.6
135.96970	9.1
137.96774	1.5
140.97575	1.8
148.58084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01851	3.7
57.03430	21.5
57.07056	2.5
58.99850	2.6
59.52180	0.6
59.71894	0.5
59.99922	0.7
60.38717	0.5
61.02910	2.9
64.33192	0.5
68.02639	1.0
68.52714	0.9
69.03416	7.0
70.99866	0.6
71.04958	1.1
72.52948	4.4
73.02900	8.1
74.52717	0.6
75.01875	0.7
77.00878	3.0
78.52932	4.0
80.52690	1.0
81.03396	5.1
81.53465	1.0
82.01406	3.2
84.53876	0.7
85.02907	2.5
85.53711	2.3
86.52684	19.9
86.99278	0.7
87.02754	2.9
87.10995	0.6
87.53445	1.3
88.02667	6.7
88.51672	8.8
89.00890	0.6
89.01728	2.9
89.51560	5.0
93.53455	3.0
94.03542	0.6
94.54224	1.4
95.01929	1.1
95.53204	15.3
96.03281	3.0
97.02898	3.2
97.52172	2.4
98.52084	0.8
98.52671	0.8
99.04428	3.8
99.53434	4.1
100.02462	28.4
100.52441	1.1
101.00854	13.6
101.02514	4.8
102.00975	3.5
102.02354	7.5
102.52473	0.9
103.00629	4.2
103.02423	4.5
104.02523	0.7
105.00359	1.4
109.02837	0.9
110.52049	4.7
111.02177	1.2
111.02917	5.6
111.51859	0.9
111.52985	0.9
113.00857	1.2
113.53185	2.6
114.03263	0.7
115.02402	3.9
116.98634	0.6
118.03506	22.7
119.01901	100.0
119.03648	4.1
119.48888	0.7
120.01988	35.2
120.03271	1.3
121.01642	33.0
121.03477	4.7
122.53726	2.8
124.02431	4.6
125.02554	0.9
125.99197	6.6
126.49274	1.0
126.99089	1.0
127.03922	1.1
128.49483	1.4
128.99490	1.1
129.03932	0.8
131.01889	15.9
131.02782	1.3
131.52573	1.4
131.54272	0.8
132.01955	1.3
133.03397	5.3
134.03596	1.3
134.99631	0.9
136.04515	0.7
137.02933	47.0
137.49991	19.4
138.00061	6.3
138.03014	21.2
138.49875	8.4
139.02669	19.7
140.00166	0.7
141.02765	0.6
141.05072	0.9
142.03477	63.9
143.01859	3.6
143.03603	20.6
144.03210	17.3
144.05009	1.0
145.03513	2.7
145.05228	0.8
147.05035	3.3
149.00792	2.6
149.02953	5.5
149.50859	1.3
150.00638	1.4
154.03491	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05499	4.9
62.22472	1.1
66.47138	1.0
67.05489	1.5
79.05482	2.5
87.09997	1.5
88.02206	11.2
88.50673	1.3
89.00236	9.8
90.00134	1.2
91.05469	33.2
98.00755	36.5
98.50806	1.4
99.00632	8.1
100.51032	6.1
105.07020	100.0
107.01273	6.9
117.95941	10.7
118.96747	1.4
119.95744	1.8
131.08551	5.1
133.10107	62.2
135.97031	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05490	2.1
56.96545	1.0
62.71950	0.5
68.68063	0.5
69.03414	0.7
74.87489	0.5
79.05470	5.3
88.02198	7.3
89.00242	8.0
91.05466	17.0
93.07011	2.7
98.00740	12.7
98.50710	1.0
99.00627	2.8
100.51015	2.2
103.05444	2.2
105.07017	53.7
107.01267	1.2
107.40298	0.6
115.05428	3.6
117.07001	3.9
117.95927	2.4
118.07796	6.0
118.96759	0.7
119.95783	0.9
123.07956	0.8
131.08530	6.2
133.06487	9.8
133.10107	100.0
135.96974	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
52.85081	0.4
53.03930	2.3
55.01854	3.2
56.96544	2.3
57.03409	0.5
69.03416	2.4
69.07030	2.0
72.93765	1.2
73.06532	0.6
74.93166	0.7
77.03918	0.6
79.05475	11.5
81.04525	1.3
82.05302	0.6
86.09737	0.6
88.02203	5.9
89.00242	2.3
91.05468	2.8
92.08655	0.6
95.04947	2.9
97.02846	0.7
98.00758	4.0
99.00629	0.7
100.10915	0.5
103.05450	9.8
105.05373	2.3
105.07018	88.9
107.04932	1.0
112.02226	4.6
112.02911	0.5
113.02989	1.7
115.05463	4.7
123.07880	6.5
126.59714	0.6
131.04948	1.2
133.04800	8.1
133.06473	100.0
133.10091	2.3
144.04784	0.8
150.96950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	Succinic acid methyl ester
Peak:m/z	Relative Intensity
52.45691	3.3
53.03933	3.7
55.01867	36.2
57.03421	21.3
59.04108	3.1
59.04984	15.2
59.91709	3.5
61.01136	13.5
61.02909	3.7
69.03403	22.0
70.06589	14.9
71.01347	31.6
71.04963	5.6
73.02901	100.0
74.02416	5.0
83.01323	27.3
83.83080	3.5
85.02876	7.6
87.02667	21.7
87.04459	35.5
88.02190	21.2
93.76202	4.9
94.70546	3.7
103.03931	3.7
103.76546	3.6
115.03899	6.9
133.04964	45.7
137.02855	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01854	3.7
56.96545	3.5
57.03437	1.3
59.44154	0.7
67.05472	0.9
67.13317	0.7
68.77979	0.9
69.03398	4.3
69.07036	3.1
71.01353	0.8
71.04977	1.2
72.93773	1.7
79.05475	13.0
81.04518	3.1
82.05298	0.9
85.20628	0.9
87.04442	0.9
87.10001	0.8
87.22145	0.7
88.02180	9.8
89.00231	3.4
91.05454	2.0
95.04940	1.5
97.02857	1.3
98.00748	7.1
99.00632	1.3
100.51003	1.1
103.05446	9.4
105.07016	93.7
107.01279	0.9
107.04937	1.2
112.02153	5.3
112.17247	0.8
113.02935	4.5
115.05411	4.8
117.95978	1.0
118.96735	0.8
122.07308	1.0
123.07909	11.3
124.08273	0.9
131.04886	1.4
133.04822	3.8
133.06470	100.0
133.10086	3.2
144.04744	1.6
150.96870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
53.03921	0.8
56.47653	0.3
56.96543	2.1
57.03419	0.5
58.02933	0.4
69.07077	0.5
72.76258	0.3
72.93770	7.5
76.51552	1.8
77.21542	0.3
79.01796	0.4
79.81506	0.3
79.83957	0.4
84.02107	0.3
85.52067	0.4
86.06046	0.3
86.09692	11.6
88.00478	4.9
88.02345	2.2
88.22260	0.3
88.35209	0.4
89.00226	2.2
90.90366	1.6
90.94337	0.3
90.94795	3.4
94.04142	0.6
95.04939	3.5
96.04473	0.8
97.00984	10.4
98.00740	5.2
98.23834	0.4
99.51244	2.3
100.02454	1.6
100.51016	0.7
104.04978	38.9
105.04507	0.8
105.86256	0.4
106.01527	1.5
107.01245	1.3
108.51768	0.4
108.95834	1.4
111.03035	0.7
113.96392	1.6
115.96446	2.0
116.97215	0.6
117.95972	1.4
118.03500	0.6
118.96710	0.4
124.48802	0.4
131.97420	2.3
132.04433	100.0
132.06537	2.4
133.04774	1.3
133.97449	2.0
135.97034	1.4
137.05986	3.6
138.97960	0.5
141.31920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.05028	0.1
57.05802	0.2
58.06575	0.6
59.04979	0.1
69.07052	18.3
86.09688	100.0
87.10032	0.7
98.97495	0.2
123.07921	0.2
132.10159	1.7
135.35414	0.1
143.60931	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	133.0496
Annotation	Succinic acid methyl ester
Peak:m/z	Relative Intensity
53.03928	4.2
54.80966	3.0
55.01871	31.5
55.66240	2.7
57.03416	21.7
59.04979	22.1
59.91893	3.5
61.01153	4.3
61.02922	3.5
69.03423	14.4
70.06573	17.3
71.01354	29.0
71.04979	5.3
73.02903	100.0
74.02399	6.1
79.95092	3.6
83.01337	28.8
85.02887	5.3
87.02679	17.1
87.04452	52.8
88.02190	34.6
97.02864	3.9
105.07053	5.1
108.04987	3.7
109.66489	3.7
115.03873	6.5
133.03217	6.2
133.04964	50.2
133.06503	6.2
133.07600	5.7
133.10085	4.8
151.81670	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
54.81450	0.4
55.05497	0.3
56.96552	4.0
57.03426	0.7
57.07070	0.7
60.04517	1.5
67.05486	0.8
68.95276	0.5
69.03409	0.8
69.07047	0.7
71.04958	0.6
72.93760	1.5
74.09698	0.5
74.53376	0.3
76.51567	2.8
77.03885	0.4
81.03381	0.4
84.08156	0.5
85.02911	0.5
85.04823	1.6
85.52099	2.7
87.00440	9.8
88.00459	10.7
88.02342	4.0
90.94782	0.5
95.04935	4.9
95.08594	0.5
95.71738	0.4
96.00957	2.0
97.00970	26.1
97.02874	1.4
98.51218	0.8
98.97565	0.4
99.51257	4.8
100.90304	0.4
103.05443	100.0
105.04489	1.7
106.01502	3.6
108.51772	1.4
111.02055	0.4
113.06003	0.5
113.07936	1.6
113.09626	0.5
113.96400	2.6
115.96418	4.3
116.97204	1.4
130.15892	1.8
131.04900	18.1
131.05942	0.7
131.06871	0.5
131.08556	0.7
131.16245	0.6
131.97375	3.0
133.97452	4.6
137.65620	0.4
138.97952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05501	0.8
56.96564	5.8
57.03417	0.9
57.07060	1.2
60.04503	0.8
62.12323	0.4
62.21156	0.4
64.15115	0.5
64.87600	0.4
67.05482	2.8
69.03407	0.8
69.07057	0.8
71.04978	2.5
72.93777	1.8
73.42686	0.5
76.51594	0.5
77.03855	0.5
79.01836	0.5
83.04974	0.9
83.95979	0.4
85.02879	1.1
85.04832	1.1
85.06530	0.8
85.52090	3.5
86.09715	0.5
87.00443	8.8
88.00465	14.6
88.02365	4.3
91.02325	0.6
91.05495	0.5
95.04948	4.3
95.08572	0.9
96.00916	1.7
97.00984	25.0
97.02862	2.0
98.51241	1.0
99.51244	5.1
102.04701	0.8
103.05450	100.0
106.01485	3.9
108.51768	1.1
111.02084	0.5
113.06003	1.2
113.07936	0.7
113.96377	3.1
115.96424	5.3
116.97231	1.1
117.09124	0.5
119.05412	0.5
130.15894	2.4
131.04907	21.0
131.05940	1.0
131.06886	0.7
131.08893	0.6
131.16222	0.6
131.97414	2.6
133.97458	5.5
138.97992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0499
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
56.05025	4.3
57.03423	0.4
69.03393	0.3
70.06576	11.1
71.04969	0.4
71.83791	0.3
72.08125	0.3
84.04489	100.0
84.08125	6.9
85.02898	3.8
85.03340	0.5
100.02438	0.3
102.05518	1.6
115.62591	0.4
130.04980	16.6
130.08604	3.9
130.12177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.30386	0.4
56.96563	3.9
57.03413	0.8
57.07064	1.0
60.04507	0.5
67.05508	0.6
67.51053	0.5
69.28481	0.4
70.03745	0.5
71.26697	0.4
72.05318	0.5
72.93761	1.0
74.09675	0.6
76.51572	3.9
78.99911	0.5
85.02898	0.9
85.04824	2.1
85.52098	3.3
87.00453	12.4
87.50626	0.4
88.00469	15.1
88.02355	5.0
90.94804	0.6
91.05477	0.5
94.51467	0.4
94.52569	0.4
95.04951	5.2
95.08585	0.8
96.00974	3.9
97.00979	27.3
97.02876	2.5
98.51227	2.0
99.51249	5.4
100.02477	0.5
103.05449	100.0
105.04496	0.5
106.01501	3.5
107.29221	0.5
108.51764	3.6
113.05981	0.7
113.07901	1.8
113.96383	3.0
115.96402	6.7
116.97200	2.0
118.97090	0.4
130.15912	2.3
131.04910	19.5
131.05942	1.4
131.06929	0.7
131.08533	1.0
131.16367	0.6
131.97404	3.2
133.97461	3.8
138.98038	0.8
148.21602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
50.75462	0.6
53.00299	1.6
53.03941	33.0
55.01663	0.6
55.01870	10.3
55.05521	1.1
57.03416	3.4
58.06582	1.6
62.01295	0.6
63.11010	0.6
65.14666	0.6
69.03417	79.7
71.01359	2.5
71.04981	5.9
81.03403	96.5
83.01307	1.0
84.08129	17.3
85.02891	3.6
95.01311	1.8
97.02879	8.1
98.03647	1.1
99.04438	14.3
108.63266	0.7
109.02866	100.0
127.03893	26.8
127.12285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	5-hydroxyfuran-2-carboxylic Acid
Peak:m/z	Relative Intensity
50.95499	0.6
51.45188	0.6
55.01862	1.5
55.05513	0.9
55.61115	0.6
61.25933	0.6
64.22036	0.7
64.33200	0.6
68.96477	0.6
68.99781	100.0
69.03428	1.5
73.02908	1.6
83.04948	1.2
83.06117	1.1
84.04488	2.9
84.08129	1.1
85.02881	0.8
87.00809	7.8
92.09337	0.8
97.02888	0.9
111.00784	1.0
112.07599	3.7
129.01830	10.5
129.05475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95499	0.6
51.45188	0.6
55.01862	1.5
55.05513	0.9
55.61115	0.6
61.25933	0.6
64.22036	0.7
64.33200	0.6
68.96477	0.6
68.99781	100.0
69.03428	1.5
73.02908	1.6
83.04948	1.2
83.06117	1.1
84.04488	2.9
84.08129	1.1
85.02881	0.8
87.00809	7.8
92.09337	0.8
97.02888	0.9
111.00784	1.0
112.07599	3.7
129.01830	10.5
129.05475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0911
Annotation	4-Penten-1-yl acetate
Peak:m/z	Relative Intensity
53.00297	3.5
53.03928	0.8
55.01868	2.7
55.05503	6.6
55.93507	0.3
56.96560	0.3
57.03429	1.4
57.07064	0.4
59.04989	26.9
61.02922	2.9
63.20110	0.3
67.05495	6.2
69.03413	1.7
69.07054	100.0
69.99072	0.3
71.04979	3.5
72.08119	1.2
76.55839	0.4
79.05478	5.4
81.07039	0.6
82.80584	0.3
83.04973	1.9
83.08630	0.6
84.04493	3.7
84.08127	0.8
85.02891	1.2
85.06527	22.7
86.00714	0.3
87.04453	2.2
97.06509	4.1
101.09606	0.4
111.04406	0.4
111.08090	1.5
112.07610	0.6
112.11270	0.6
113.29935	0.3
115.10654	0.4
129.09120	0.4
130.08614	0.6
130.15854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
56.96557	68.9
57.07071	4.8
58.50526	2.9
58.96168	0.8
67.05491	6.0
67.51051	21.5
69.07032	0.9
70.01313	4.0
76.51564	18.6
78.82757	0.7
79.01835	58.0
79.05474	5.1
79.52018	3.4
79.72186	0.6
80.01620	0.9
80.04996	3.9
80.05795	0.7
81.07036	45.8
85.52091	4.0
88.02355	100.0
88.52526	4.3
90.52605	2.6
95.04943	2.7
95.08585	9.0
96.04457	1.1
97.02868	10.8
97.53053	1.3
99.53126	1.7
100.02469	6.4
106.07327	1.2
108.07668	4.0
118.03490	4.6
119.01929	3.1
123.04421	3.2
123.05521	20.9
123.08044	5.9
123.10020	11.0
123.11684	27.9
124.03943	1.1
137.02936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91850	0.3
57.55455	0.4
64.89249	0.4
82.99828	0.4
85.14986	0.4
100.02459	0.8
101.00861	17.6
101.02519	3.1
118.03487	0.5
119.01899	100.0
120.02045	0.5
137.02933	33.6
142.03447	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.51803	0.3
55.01870	0.4
55.05508	6.9
56.96560	71.4
58.50516	3.2
58.99858	0.4
65.03947	0.4
67.05495	26.1
67.51052	16.3
70.01327	3.3
70.08956	0.3
74.97581	0.4
76.51569	16.4
79.01838	62.5
79.05485	1.6
79.52020	2.8
80.01630	0.5
80.04992	3.2
81.07036	4.0
84.12937	0.3
85.52090	3.6
88.02361	100.0
88.52573	5.9
89.02126	0.5
89.02615	0.5
90.52599	2.5
91.05450	0.5
93.07045	5.3
95.03152	0.5
95.04950	3.5
95.08591	37.5
96.04459	0.6
97.02872	11.2
97.53032	0.5
97.73028	0.3
97.97375	0.3
99.53160	3.3
100.02467	4.1
100.03029	0.4
104.05811	0.4
105.07015	0.7
106.07338	2.5
107.07351	0.4
108.05701	1.5
108.07685	4.2
118.03513	5.2
119.01855	0.5
123.04443	1.5
123.05531	15.8
123.08054	8.8
123.09990	9.7
123.11648	3.0
123.78664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.51803	0.3
55.01870	0.4
55.05508	6.9
56.96560	71.4
58.50516	3.2
58.99858	0.4
65.03947	0.4
67.05495	26.1
67.51052	16.3
70.01327	3.3
70.08956	0.3
74.97581	0.4
76.51569	16.4
79.01838	62.5
79.05485	1.6
79.52020	2.8
80.01630	0.5
80.04992	3.2
81.07036	4.0
84.12937	0.3
85.52090	3.6
88.02361	100.0
88.52573	5.9
89.02126	0.5
89.02615	0.5
90.52599	2.5
91.05450	0.5
93.07045	5.3
95.03152	0.5
95.04950	3.5
95.08591	37.5
96.04459	0.6
97.02872	11.2
97.53032	0.5
97.73028	0.3
97.97375	0.3
99.53160	3.3
100.02467	4.1
100.03029	0.4
104.05811	0.4
105.07015	0.7
106.07338	2.5
107.07351	0.4
108.05701	1.5
108.07685	4.2
118.03513	5.2
119.01855	0.5
123.04443	1.5
123.05531	15.8
123.08054	8.8
123.09990	9.7
123.11648	3.0
123.78664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02364	0.8
53.03935	3.3
54.07152	0.6
54.07415	0.6
54.81573	0.9
55.01628	0.6
55.01860	5.8
55.05498	0.6
56.96560	67.3
57.14133	0.5
57.84284	0.7
58.50512	0.8
58.94412	0.6
59.40866	0.6
59.76842	0.6
65.03913	3.1
67.05145	1.0
67.05492	26.8
67.51055	13.2
70.01312	3.9
76.51565	19.2
77.03894	4.1
79.01837	66.0
79.05470	7.0
79.52017	1.1
80.04997	14.0
81.07034	7.4
82.01430	0.8
85.52085	2.7
85.92572	0.7
88.02359	100.0
88.52543	6.0
90.52602	2.8
95.03090	0.7
95.04948	38.7
95.08569	1.4
96.04468	4.0
97.02879	13.1
97.91696	0.7
99.53133	2.9
100.02458	10.7
105.03372	6.3
105.04469	1.0
106.02863	0.8
106.07347	1.3
108.07641	1.0
118.03508	16.0
119.01878	3.8
121.01518	0.8
123.04400	75.0
123.05515	65.2
123.06306	2.9
123.08030	4.8
123.09972	6.1
123.11657	3.6
124.03938	1.4
137.02927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.64021	0.3
51.02367	0.9
53.03925	1.1
55.01844	0.4
56.00252	0.4
56.96558	71.5
57.51884	0.3
58.48967	0.4
58.50516	3.3
58.96133	0.5
61.00792	0.5
64.90137	0.4
67.05490	4.6
67.51051	18.8
67.51396	0.9
68.01132	0.5
70.01309	4.3
74.97579	0.9
75.53966	0.4
75.79317	0.4
76.51571	20.8
77.03913	3.0
79.01835	67.3
79.05469	4.4
79.52007	3.1
80.01603	0.6
80.04993	8.5
81.07035	5.6
82.01433	0.6
85.52092	2.9
88.02358	100.0
88.52541	8.1
89.02654	0.5
90.52612	4.4
92.04542	0.4
92.21244	0.4
95.04951	10.9
95.08582	3.1
96.04469	2.3
97.02875	11.6
99.53147	4.1
99.93784	0.6
100.02444	10.5
103.03502	0.5
105.03391	5.6
105.04494	0.7
105.07037	0.5
106.07344	0.9
107.07347	0.7
108.07668	2.9
118.03494	10.4
119.01904	1.7
122.09628	0.7
123.04417	70.6
123.05527	39.5
123.07979	3.6
123.09973	8.3
123.11687	2.7
124.03953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.62414	0.4
52.75078	0.3
53.03710	0.6
53.03938	8.0
55.01862	0.6
55.53020	0.3
56.96549	2.0
58.35639	0.5
64.33220	0.4
65.03934	0.5
76.02033	0.4
77.03916	0.7
79.05461	1.7
91.05463	30.9
93.07024	36.9
95.04946	17.5
103.05448	40.6
105.04500	4.1
105.07002	1.9
110.48036	0.4
114.89037	0.4
121.06484	100.0
122.06812	0.7
122.09629	0.6
125.43026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.39640	0.3
50.71412	0.4
51.02376	1.7
53.03935	3.0
53.63808	0.4
55.01860	0.7
56.96558	64.8
58.50523	1.8
58.99853	0.4
59.37802	0.4
63.64784	0.4
64.33085	0.4
67.05482	6.4
67.51048	12.7
70.01295	2.1
74.97598	0.7
76.51569	14.3
77.01760	0.6
77.03910	5.4
79.01834	59.7
79.05495	3.2
79.52032	3.1
80.04996	8.1
81.07055	3.0
82.01409	0.8
85.52090	2.6
88.02357	95.7
88.52573	5.6
89.02158	0.5
90.52634	3.1
95.04954	14.7
95.08604	1.6
96.04458	2.0
97.02860	11.0
99.53123	4.0
100.02457	9.3
105.03385	9.3
105.04498	1.9
105.06969	0.6
106.07367	1.6
107.07349	0.4
108.07657	1.9
113.98574	0.4
118.03516	9.8
119.01907	2.1
122.09679	0.8
123.04414	100.0
123.05521	38.4
123.08060	2.0
123.09256	0.5
123.09975	5.3
123.11687	1.0
124.03942	0.6
137.02939	2.2
138.18117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.40750	0.7
59.27380	0.7
68.56832	0.8
79.05470	2.0
91.05466	50.8
92.08658	0.8
93.07030	2.9
98.19452	0.9
103.05459	6.0
104.06258	5.7
115.05466	1.2
117.06992	10.3
119.06051	4.1
119.08566	100.0
138.41435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56404	0.6
51.40123	0.5
59.60062	0.6
64.33098	0.5
71.53230	0.6
74.78838	0.6
78.66178	0.7
79.05461	0.6
85.07181	0.6
91.05457	3.8
91.62081	0.6
93.07021	9.1
95.04969	1.0
103.05452	40.6
104.54162	0.7
118.06509	1.3
120.08086	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02356	0.6
53.03939	7.7
55.01862	0.7
55.05489	0.4
56.96564	2.9
57.03425	2.0
57.06868	0.3
57.07067	5.1
59.04987	1.9
61.02917	5.7
65.03915	0.9
67.05493	8.3
70.06590	0.4
77.00764	2.2
77.03902	1.7
79.05459	0.6
79.57783	0.4
81.03371	0.5
85.06521	3.9
86.01267	0.6
86.41208	0.4
90.42657	0.3
91.05462	36.3
93.07021	41.4
94.04139	0.5
95.04945	21.6
98.85468	0.5
98.97527	0.5
103.05450	47.5
104.05782	0.5
105.04480	5.9
119.69012	0.4
121.01635	0.6
121.06483	100.0
122.06987	0.4
125.72695	0.5
137.77817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19240	0.4
74.39975	0.4
83.01474	0.5
87.66123	0.5
90.95308	0.4
101.00858	18.4
101.02555	6.2
119.01897	100.0
119.03632	3.3
137.02933	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03930	0.9
65.03922	1.3
67.64832	0.7
79.05492	7.2
87.53455	1.3
91.05462	100.0
92.05817	0.7
93.07030	2.7
96.98118	0.8
103.05470	7.1
104.06210	4.1
109.06517	0.8
115.05476	1.6
117.07002	21.6
119.06042	6.1
119.08561	75.8
120.05576	1.1
120.08949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
56.05009	0.1
58.75943	0.1
60.20147	0.1
63.27916	0.1
64.33199	0.1
68.05005	0.1
70.06575	100.0
71.06912	0.4
72.13406	0.1
94.44462	0.1
98.06022	0.1
98.07202	0.1
100.02517	0.1
116.07071	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	118.0864
Annotation	5-Aminopentanoate
Peak:m/z	Relative Intensity
55.05503	0.3
56.96553	0.5
58.02955	0.2
58.06586	9.2
59.04988	61.5
59.43320	0.2
64.27564	0.2
64.33356	0.3
68.05029	0.3
68.45297	0.3
68.95274	1.4
69.03413	4.5
72.04493	3.1
72.08138	1.0
76.07621	12.2
76.08057	0.4
77.00768	0.4
83.70583	0.2
86.03522	0.3
86.06051	4.7
98.01289	0.3
100.02456	1.4
100.06927	0.2
100.07591	9.1
101.05994	100.0
101.27000	0.2
112.07542	0.2
116.48184	0.2
118.03471	1.0
118.08640	4.1
119.01898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02901	2.9
91.05460	0.8
93.03429	0.6
97.72050	0.5
98.68322	0.6
103.03957	0.6
107.04931	0.8
109.02895	0.9
119.04931	5.8
121.02846	24.3
121.38129	0.6
130.14830	0.7
145.02876	2.2
146.21118	0.5
147.04541	0.7
154.05130	0.5
163.03931	1.1
165.01859	0.6
173.02438	0.6
175.03899	0.7
177.05450	0.9
179.03419	2.3
181.04950	0.7
185.03958	0.6
187.03989	1.0
189.01768	4.3
191.03329	4.5
194.02084	0.7
195.02808	5.0
203.03432	6.1
205.04921	0.9
207.02878	7.9
209.04379	0.7
213.05522	0.6
215.03365	0.6
217.04916	4.1
219.02815	6.0
221.04399	4.6
225.03806	1.0
227.03355	1.1
229.04950	3.5
231.02953	0.9
233.04472	3.0
233.17943	0.6
235.05908	1.1
243.02864	1.4
245.04462	1.2
247.05916	2.2
251.06966	1.1
255.02859	2.3
257.04456	3.2
261.03922	1.1
267.06564	1.2
268.07230	3.2
270.05112	0.6
273.03909	1.4
279.06537	5.2
280.07272	1.2
281.07919	5.6
282.05307	0.6
283.05902	6.3
284.06723	1.3
285.03955	2.8
291.06583	1.3
293.08124	3.7
294.05185	22.6
294.08359	1.3
295.05963	79.6
296.06494	7.5
297.07495	9.1
298.05249	0.6
305.08224	0.6
307.05966	47.0
308.06723	14.9
309.03912	1.8
309.07404	13.2
309.10703	0.9
313.07092	4.5
317.08087	0.9
319.05975	6.9
319.09457	1.3
320.06686	5.1
321.07526	28.1
322.08325	11.2
323.05331	3.6
323.09143	5.2
325.07010	100.0
326.07443	1.1
329.08090	0.9
331.09763	1.0
332.06778	1.0
333.07516	8.1
334.08328	1.2
335.05414	2.0
335.09009	16.0
336.06274	3.3
336.09888	2.8
337.07016	64.9
338.07608	1.9
339.08652	1.3
345.07578	1.2
346.08203	1.3
347.05069	1.0
347.09061	13.5
349.07001	30.8
350.07559	2.5
351.04861	1.3
351.08566	23.9
353.06595	1.2
355.08044	14.9
357.07507	2.5
360.06430	0.9
361.06943	20.2
361.10724	2.0
362.07751	1.4
363.08554	8.3
365.10190	13.5
367.08051	4.3
373.06943	6.0
374.07758	0.8
375.08530	12.4
375.12479	1.0
377.06223	1.3
377.10562	0.9
379.08057	47.6
380.08569	1.1
385.06824	4.0
387.08463	2.6
389.10144	3.8
391.08051	28.4
393.09573	3.3
401.10260	3.2
403.07996	27.5
404.08508	0.8
405.09695	1.1
409.09091	25.8
413.10251	1.3
415.07941	4.0
417.09552	3.3
421.09091	20.1
427.10193	14.8
429.09802	1.2
431.11346	0.8
433.09259	2.4
435.10818	1.2
439.10205	15.2
445.09396	5.0
449.12268	1.3
457.11240	67.0
458.11398	1.1
463.10419	6.3
469.09708	0.8
475.12259	21.2
481.11240	12.1
487.10107	2.8
493.11148	1.0
499.12210	12.8
505.10803	1.1
511.12271	17.3
523.12292	10.9
529.13312	13.1
541.13257	17.7
559.14374	27.0
577.15436	54.4
578.15717	1.1
595.16541	36.1
596.16736	1.1
609.68280	0.7
1140.37573	0.7
1227.58948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01768	0.3
81.03362	1.4
85.02888	6.0
87.04420	0.3
91.05421	0.3
97.02864	2.4
97.53378	0.2
99.04416	0.2
103.03896	0.3
109.02840	1.4
119.04862	1.4
121.02054	0.3
121.02844	6.3
125.02341	0.2
127.03862	1.3
145.02797	0.5
153.01813	0.4
163.03842	0.9
165.01756	1.2
167.03296	0.3
171.02827	0.4
177.01862	0.4
181.02127	0.2
183.02808	1.1
189.01782	0.3
189.05537	0.3
189.09137	0.3
195.02837	1.2
213.05472	1.2
217.04910	2.2
227.07054	0.4
233.04289	0.3
243.02896	0.5
243.06456	1.5
255.06499	1.8
256.07202	4.3
259.05981	1.2
261.03922	2.2
267.06482	1.2
268.07196	0.5
270.05249	0.4
271.06003	4.5
281.08044	0.3
283.05960	44.8
284.06735	27.5
285.07416	2.4
295.05972	18.4
295.09198	0.5
296.06271	0.3
297.07516	9.2
305.07990	0.4
307.06085	1.7
308.06735	1.9
309.07462	3.7
311.05655	1.9
313.07016	100.0
314.07385	2.1
316.05704	0.3
321.07428	1.2
323.05411	2.2
323.09021	12.4
325.07001	3.2
327.08701	1.0
336.06592	0.3
337.06992	20.3
338.07108	0.3
341.06647	0.4
343.08130	5.0
349.07153	1.2
351.08563	5.2
355.08102	1.4
361.07083	0.9
367.08075	11.6
379.08060	7.9
397.03815	0.5
397.09128	22.4
415.10153	23.9
416.10373	0.5
426.69141	0.2
433.11230	30.2
434.11679	0.4
595.16498	69.4
596.16205	2.2
755.54419	0.3
839.41357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1112.592
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05474	24.4
81.03383	4.6
81.07035	42.3
83.06085	4.2
83.08612	3.7
84.04492	4.8
85.01135	2.4
91.05468	31.4
91.76757	2.4
93.07023	27.1
95.04948	11.8
95.08575	17.7
105.07001	22.2
107.04948	4.0
107.08571	13.8
109.06486	4.2
109.10139	4.5
109.37848	2.1
112.02173	5.5
113.04146	4.5
114.37859	2.4
116.01672	2.6
117.07008	12.5
119.08551	16.8
121.10109	4.4
123.08092	2.6
125.09676	2.5
126.03748	8.5
128.06178	2.6
129.06961	3.1
130.05009	5.5
130.06444	3.2
131.08527	9.8
133.10114	3.5
135.11646	4.1
136.03934	4.7
145.06082	12.2
145.10138	10.9
147.07942	4.0
147.11720	4.6
149.09570	2.2
149.13278	2.9
150.03697	23.9
151.58664	2.1
152.05353	2.4
153.06688	2.3
154.23518	2.2
157.10138	3.9
158.20633	2.8
159.08015	3.2
159.11609	2.8
161.09564	5.4
163.05850	2.3
163.11192	2.3
164.05290	3.2
166.06790	9.6
173.09610	2.3
175.05721	2.5
181.06084	5.1
185.03798	5.7
204.08542	2.3
231.04274	11.9
239.04857	2.7
241.56104	2.8
242.50284	2.4
253.06360	2.8
262.12598	11.2
267.07828	4.1
268.08630	5.3
273.18396	13.7
280.13623	8.9
330.19058	3.5
335.25787	14.0
348.19644	4.0
354.17395	3.5
357.83972	2.4
614.38336	3.8
625.44043	12.0
683.43091	3.7
700.45654	3.2
785.47552	100.0
803.48450	66.7
838.14960	2.7
857.49152	3.2
875.49744	15.1
896.50122	3.1
932.53107	25.9
950.53693	96.5
951.52081	3.0
965.52472	5.1
1112.57202	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	1112.592
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05474	24.4
81.03383	4.6
81.07035	42.3
83.06085	4.2
83.08612	3.7
84.04492	4.8
85.01135	2.4
91.05468	31.4
91.76757	2.4
93.07023	27.1
95.04948	11.8
95.08575	17.7
105.07001	22.2
107.04948	4.0
107.08571	13.8
109.06486	4.2
109.10139	4.5
109.37848	2.1
112.02173	5.5
113.04146	4.5
114.37859	2.4
116.01672	2.6
117.07008	12.5
119.08551	16.8
121.10109	4.4
123.08092	2.6
125.09676	2.5
126.03748	8.5
128.06178	2.6
129.06961	3.1
130.05009	5.5
130.06444	3.2
131.08527	9.8
133.10114	3.5
135.11646	4.1
136.03934	4.7
145.06082	12.2
145.10138	10.9
147.07942	4.0
147.11720	4.6
149.09570	2.2
149.13278	2.9
150.03697	23.9
151.58664	2.1
152.05353	2.4
153.06688	2.3
154.23518	2.2
157.10138	3.9
158.20633	2.8
159.08015	3.2
159.11609	2.8
161.09564	5.4
163.05850	2.3
163.11192	2.3
164.05290	3.2
166.06790	9.6
173.09610	2.3
175.05721	2.5
181.06084	5.1
185.03798	5.7
204.08542	2.3
231.04274	11.9
239.04857	2.7
241.56104	2.8
242.50284	2.4
253.06360	2.8
262.12598	11.2
267.07828	4.1
268.08630	5.3
273.18396	13.7
280.13623	8.9
330.19058	3.5
335.25787	14.0
348.19644	4.0
354.17395	3.5
357.83972	2.4
614.38336	3.8
625.44043	12.0
683.43091	3.7
700.45654	3.2
785.47552	100.0
803.48450	66.7
838.14960	2.7
857.49152	3.2
875.49744	15.1
896.50122	3.1
932.53107	25.9
950.53693	96.5
951.52081	3.0
965.52472	5.1
1112.57202	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	1096.5978
Annotation	Unknow
Peak:m/z	Relative Intensity
75.72570	0.3
76.02221	2.0
76.03981	0.5
79.05476	17.0
80.05009	2.0
81.03414	0.9
81.07039	26.6
82.06602	0.5
83.04985	0.8
83.06078	2.7
83.08594	3.6
84.04497	4.7
85.01117	0.7
85.06548	0.8
86.00655	1.7
88.02205	0.6
90.54649	0.3
91.05467	13.0
93.07022	15.5
94.06564	1.7
95.04942	4.2
95.08585	14.0
97.01115	2.4
97.02884	0.6
97.06528	1.6
97.10146	0.7
98.00648	0.8
98.06045	0.6
99.01402	4.1
99.02709	0.5
99.05571	0.5
100.02188	5.4
102.05547	0.5
103.05412	0.5
105.07011	11.0
106.06561	0.9
107.04877	2.7
107.06074	0.6
107.08568	8.8
107.09186	0.4
108.04445	0.5
108.08109	1.5
109.06503	5.9
109.10155	3.7
110.06068	0.6
111.02701	1.9
111.08051	0.6
112.02165	6.0
113.02991	1.5
114.03730	7.3
115.05564	0.4
116.01701	1.7
117.06989	4.3
118.06529	0.6
119.07327	0.5
119.08555	9.2
120.08039	1.3
121.06497	1.5
121.10138	6.8
122.09679	0.6
123.02661	1.5
123.08058	0.9
123.11745	1.8
124.02197	0.5
125.04197	1.7
125.09594	0.4
126.03725	2.9
129.06772	2.1
130.04961	3.0
130.07806	0.5
131.08551	5.5
132.08081	0.5
133.10118	4.3
134.09677	0.5
135.08018	0.8
135.11656	3.5
136.03947	2.3
137.04236	0.8
137.09634	0.5
138.03716	4.4
139.03261	1.6
139.05779	0.7
140.05276	3.4
141.07108	0.5
142.03296	0.6
142.06902	0.6
143.08546	1.5
144.01199	0.6
145.06107	1.5
145.10092	3.7
147.08012	0.5
147.11673	4.8
149.09618	0.9
149.13290	2.0
151.05762	0.6
152.05264	3.2
153.06555	0.9
154.06854	1.5
155.08455	0.7
157.00757	0.4
157.10175	1.9
159.11688	2.7
160.11276	0.5
161.12071	0.4
161.13310	2.0
163.11166	2.0
163.14835	0.5
165.12718	0.4
166.06905	2.4
167.05260	0.4
168.08385	16.8
169.05974	0.4
170.02711	0.7
171.11688	0.9
173.13310	2.2
175.11226	0.7
177.12883	0.4
179.04947	0.5
181.06125	2.5
185.03777	5.5
185.13345	0.5
187.05389	2.0
191.14372	0.6
193.06113	0.7
197.13388	0.4
199.07118	0.5
202.04115	1.8
202.15842	0.5
208.05991	0.6
208.17049	0.5
209.09192	0.6
215.05009	0.4
216.05760	0.9
218.15468	0.9
224.09801	0.7
229.19534	0.5
231.04346	7.2
233.06017	2.1
236.14552	3.6
239.18042	0.5
240.13922	0.4
241.06441	0.8
247.20601	0.8
255.07874	3.2
257.19113	0.6
262.15088	0.6
264.14127	13.9
264.16730	0.7
269.09482	0.9
270.10321	5.2
271.11145	0.6
275.20053	6.8
282.15170	4.3
307.17554	0.8
308.08984	0.6
321.16254	0.9
332.20444	2.4
333.18863	1.9
335.25726	8.9
337.16965	0.8
338.17645	4.1
339.17462	1.8
349.23782	0.7
350.21585	2.3
355.18011	0.7
356.18832	4.9
360.19855	0.4
407.23267	0.7
424.25192	0.6
435.22809	0.6
461.24875	0.4
479.25882	0.9
509.26514	0.5
527.28400	0.6
537.26984	0.5
581.28778	0.5
582.28595	2.6
604.54169	0.4
609.45209	1.4
615.39117	2.0
616.40253	6.5
656.31970	1.5
684.46136	4.2
702.47565	3.7
718.42255	2.8
721.30579	0.5
769.48322	0.8
787.49127	100.0
788.49292	3.2
805.50110	0.5
841.50092	1.9
853.49237	0.9
859.51129	13.9
860.51874	0.4
898.52362	3.1
916.52881	5.1
934.54370	56.4
935.53882	1.9
949.54321	3.8
1021.55176	0.8
1096.59583	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	1092.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02209	20.3
76.03960	1.6
79.05466	4.0
80.04943	0.4
81.07037	18.2
82.06513	0.3
83.06057	1.6
84.04488	20.8
84.08086	0.3
85.00737	0.2
85.01112	3.8
86.00628	4.7
86.99029	5.7
87.02676	6.3
88.02166	1.8
92.41609	0.3
93.07001	0.5
94.06506	0.5
95.04926	0.4
95.08592	3.9
96.08081	1.1
97.01083	1.1
97.06528	2.1
98.09669	13.6
99.05522	1.6
99.08064	5.2
100.02177	0.4
102.05514	6.4
105.06981	1.8
107.06068	0.3
110.09657	3.0
110.68965	0.3
111.02622	0.4
111.08029	1.1
112.03947	4.9
113.04201	7.6
114.03720	0.4
114.05538	0.4
115.05770	2.4
116.01656	27.9
122.09645	2.0
123.08012	1.8
127.05723	1.8
129.06531	4.6
129.07303	0.7
130.04976	9.0
130.06831	6.1
130.08597	2.3
137.05962	2.8
139.05774	2.8
142.03218	2.6
142.04959	0.7
143.02696	1.5
144.01123	11.8
145.06026	1.6
145.06966	0.4
151.07617	0.3
153.06601	0.3
156.08382	21.7
156.10152	15.1
157.05498	0.4
157.06795	13.0
160.00587	0.4
162.02167	30.9
163.07498	0.5
170.02670	1.2
174.02190	0.4
174.09448	9.5
179.04799	7.4
184.07831	0.3
187.05280	1.1
188.03705	1.2
189.03214	2.0
210.11237	3.0
213.10632	0.3
215.04790	1.2
216.06865	10.3
222.09373	0.4
233.05902	2.3
242.08356	1.6
245.05878	0.6
259.11057	100.0
260.09393	1.2
260.11676	0.6
277.12131	6.1
285.12625	2.0
291.06635	0.5
308.09213	0.4
313.12024	2.9
327.15790	0.6
329.65805	0.3
331.13110	6.6
343.13113	0.4
345.17078	0.5
345.40564	0.3
388.15454	4.1
403.00833	0.3
406.16342	74.8
407.16681	1.2
419.13834	0.4
435.43356	0.3
737.95404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.598
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02227	2.2
79.05481	16.7
80.05009	2.3
81.03397	1.0
81.07041	25.5
83.04973	1.0
83.06091	2.8
83.08614	3.9
84.04487	4.6
85.01128	1.1
85.02907	0.6
86.00628	1.1
87.44511	0.5
91.05465	13.9
93.05752	0.7
93.07026	18.3
94.06567	1.1
95.04960	5.1
95.08585	14.5
97.01141	1.1
97.02890	0.8
97.06522	0.7
97.10143	0.6
97.63807	0.5
99.01398	4.2
100.02174	5.4
105.07027	12.5
106.06548	2.0
107.04971	2.2
107.06087	0.5
107.08591	8.7
108.08146	0.7
109.06504	4.3
109.10106	4.4
111.02689	0.9
111.08074	0.6
112.02179	8.4
113.02982	0.6
114.03741	6.3
116.01693	2.5
117.07014	5.0
119.08544	8.0
120.08108	1.1
121.06499	1.2
121.10122	5.2
123.02641	0.7
123.08058	1.2
123.11714	2.0
124.02174	1.0
126.03757	3.1
129.06648	1.0
130.05008	3.1
131.08553	7.3
132.08067	0.8
133.10132	6.2
134.09676	1.0
135.08034	0.8
135.11708	2.7
136.03958	2.4
137.04250	0.8
138.03732	4.2
139.03242	1.1
140.01697	0.7
140.05290	5.2
142.03276	2.0
143.08556	1.0
145.06155	0.6
145.10109	5.2
147.08096	0.8
147.11705	4.3
149.09679	2.2
149.13261	2.4
151.04565	0.6
151.05859	0.5
152.05272	3.4
153.06578	1.1
154.06880	1.2
155.08435	0.6
157.10138	1.1
159.11658	3.5
161.13206	1.0
162.02177	0.7
163.11121	1.1
166.06863	1.9
168.06184	0.6
168.08379	17.0
170.02757	0.6
170.23549	0.6
173.13290	2.9
179.38957	0.6
180.08540	0.6
181.06126	2.1
183.11804	0.6
185.03793	6.1
185.13371	0.7
187.05434	2.1
187.14894	0.6
193.06137	0.5
199.07243	0.8
202.04094	1.8
208.06116	0.6
209.09225	0.6
216.05542	0.9
231.04352	7.2
233.05872	1.1
236.14673	4.7
241.06458	0.7
255.08076	2.5
263.13263	0.6
264.14142	13.1
269.09491	0.9
270.10242	5.9
271.11218	0.8
273.18503	0.7
275.20016	5.4
280.13889	0.8
282.15262	3.3
285.65378	0.5
321.16556	0.6
332.20639	2.4
335.25711	13.3
335.29697	0.5
338.17535	3.0
339.17435	1.0
349.23523	0.6
350.21664	2.7
355.18329	1.0
356.18768	7.0
424.25192	0.6
440.19312	0.7
459.21899	0.7
527.27948	2.9
537.26648	0.6
565.36890	0.6
582.28717	1.2
598.39166	0.8
609.45349	0.8
615.39514	1.2
616.40552	6.8
656.31879	1.1
674.33099	0.7
684.46423	5.0
702.47986	2.8
718.42596	1.1
769.48340	1.9
787.49121	100.0
788.48804	4.0
841.50623	0.8
859.51294	13.8
898.51929	2.4
916.53394	4.1
917.52661	0.8
932.56104	0.7
934.54425	57.9
935.54364	3.3
949.54724	4.0
1012.56488	0.7
1096.60315	4.8
1097.67273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03913	0.5
53.33148	0.4
55.01870	0.7
56.96550	2.4
62.97207	0.5
65.03922	8.6
67.05482	2.6
69.81571	0.5
79.05473	14.4
80.56966	0.4
81.01204	0.4
84.01546	2.7
91.05460	89.6
92.06237	3.2
92.61777	0.5
93.02045	2.0
94.24335	0.5
95.04952	2.3
97.94801	0.5
105.06290	0.6
105.07010	40.8
107.04946	7.3
107.08575	100.0
107.70286	0.5
109.06499	29.3
119.06027	12.1
124.05145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03950	0.4
54.04883	0.3
55.65322	0.3
56.96558	1.7
64.08304	0.3
65.03925	7.6
67.05497	2.5
67.51151	0.4
68.99775	0.4
75.01035	0.4
79.05476	15.8
79.57782	0.4
84.01557	2.5
84.67419	0.4
84.68089	0.4
85.14552	0.4
88.35461	0.4
91.05461	91.5
91.65332	0.4
92.06235	1.7
93.02068	2.5
95.04951	0.8
105.07013	42.4
106.04124	0.4
107.04935	12.5
107.08575	100.0
108.08917	0.4
109.06502	27.2
119.06045	14.3
124.05196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
80.35085	0.2
91.05504	0.2
95.33321	0.2
105.07039	0.3
105.97517	0.2
109.81713	0.2
113.16065	0.2
119.04922	0.8
121.02860	3.2
131.04912	0.4
137.05942	1.0
139.32504	0.2
145.02881	1.4
145.71764	0.3
153.01816	5.2
153.03015	0.3
160.44766	0.2
163.03934	0.4
169.56363	0.2
171.02892	0.8
177.05501	0.2
183.04396	0.3
184.01880	0.2
204.99104	0.2
225.05467	1.0
227.03311	0.4
230.01390	0.2
242.05769	0.4
251.03316	0.4
255.06436	1.5
269.04462	1.1
270.05182	0.8
279.06406	0.5
283.05942	5.0
302.27747	0.2
305.07669	0.2
307.06015	4.0
308.06943	0.4
311.05490	1.2
319.05923	3.0
321.07587	1.7
323.05695	0.4
331.06021	1.2
333.07626	0.9
334.04672	0.2
335.05438	6.2
337.03381	0.4
345.07602	1.6
347.05487	8.4
349.07169	0.3
359.05447	2.6
361.03366	0.5
375.04959	1.8
376.05850	0.4
377.06491	12.6
378.06906	0.4
379.04907	0.3
387.08420	2.2
401.06540	0.4
403.04431	12.5
404.05017	0.3
413.06784	0.2
418.06732	0.4
419.07550	0.3
421.05563	3.5
431.07449	0.9
466.97586	0.3
497.08740	2.1
539.09662	100.0
540.09912	3.2
765.00531	0.2
915.86371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00634	1.7
76.02213	1.1
79.05478	17.3
80.05006	1.9
81.03405	0.5
81.07041	20.8
82.06565	0.5
83.04983	0.8
83.06096	2.7
83.08614	4.8
84.04498	6.9
85.01127	1.1
86.00631	1.0
91.05466	15.0
93.07024	18.1
94.06582	0.9
95.04957	6.0
95.08584	12.2
96.08112	0.5
97.01099	2.8
97.06538	1.0
97.10166	0.6
98.00659	0.5
98.15618	0.5
99.01395	3.3
99.02650	0.5
99.05585	0.7
99.08099	0.5
100.02192	6.9
102.05502	0.6
105.07027	8.7
106.06545	0.8
107.04956	3.1
107.08588	8.1
108.04498	0.8
108.08073	0.4
109.06522	5.0
109.10143	4.6
111.02658	1.8
111.08042	1.1
112.02173	8.1
113.00569	0.7
113.02972	1.1
113.04213	0.8
114.03747	5.5
116.01672	2.5
117.07011	3.6
119.08563	8.3
121.06502	2.0
121.10130	5.6
122.07398	0.5
123.02628	0.6
123.08050	1.0
123.11751	0.6
124.02149	0.6
125.04234	0.9
126.03726	4.3
128.06264	0.5
129.06650	2.6
130.05013	2.6
131.08548	5.1
132.08080	0.5
133.06512	0.8
133.10106	4.9
134.09619	0.7
135.05573	0.5
135.08046	3.1
135.11664	4.5
136.02144	0.8
136.03941	2.5
137.04233	0.6
137.09581	4.2
138.03705	6.7
139.03302	0.9
139.05743	1.8
139.11212	0.5
140.01627	3.0
140.05249	3.1
142.03221	1.0
142.06909	0.5
143.08525	0.7
144.01196	0.6
145.06267	0.5
145.10072	5.7
147.11699	2.0
148.03268	0.4
148.11191	0.5
149.04265	0.5
149.09666	3.3
149.13321	0.7
150.03839	0.8
151.05786	0.6
151.07576	0.7
152.05266	3.7
153.06555	0.8
154.06868	0.6
155.08519	0.6
157.00801	0.5
157.10143	0.9
159.11700	2.4
160.11165	0.5
161.09583	1.1
162.02187	0.9
163.05751	0.6
163.11163	5.4
165.09143	0.9
166.06876	2.1
167.07614	0.6
168.08383	17.3
169.10156	0.9
170.02722	0.5
172.96257	0.4
173.13251	0.9
177.07317	0.5
180.08406	0.7
181.06148	2.5
185.03767	6.2
185.05191	0.5
185.11824	0.7
187.05396	1.0
187.14862	0.7
193.06816	2.7
199.07150	0.7
201.16412	0.6
202.04118	0.9
208.11568	1.8
209.09326	0.5
215.04878	0.6
218.10101	2.3
219.17471	0.7
229.15849	0.8
231.04346	7.2
233.05983	0.9
235.10245	1.8
236.10994	13.4
237.11438	0.5
241.06479	0.7
247.16927	3.2
253.11385	0.6
254.12001	3.3
255.07843	3.5
265.18051	0.6
266.12067	0.6
269.09549	0.8
270.10193	4.5
271.11127	0.7
304.17340	1.8
307.12802	0.4
310.14429	3.0
311.14206	0.8
321.20520	0.6
322.18387	2.0
327.14877	0.6
328.15729	5.3
335.25702	9.6
350.80627	0.5
364.14597	0.8
379.20148	0.7
385.29147	0.4
407.19946	0.6
413.17670	0.5
425.21011	0.8
430.17801	0.9
451.22647	2.0
479.22025	0.9
481.23767	0.7
499.24579	0.8
553.25800	0.7
554.25513	1.8
570.36456	0.6
571.26025	0.5
587.36359	2.2
588.36926	7.6
628.29224	1.0
656.43439	3.0
674.44269	4.4
690.39001	2.4
759.46027	100.0
760.47137	3.2
813.47076	0.8
831.48132	14.1
870.48883	1.1
888.50281	3.8
906.51257	53.2
907.50592	1.9
921.50531	3.5
1068.56763	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	1068.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05481	1.6
81.03398	27.2
83.05016	1.4
85.02894	49.9
90.15829	1.1
91.05464	7.2
95.04953	4.8
97.02863	19.8
99.04430	39.6
101.29417	1.0
103.03924	16.9
103.05456	1.5
105.07025	4.2
107.04937	6.7
107.08591	1.2
109.02863	56.2
111.54597	1.1
111.57834	1.1
115.03928	1.7
119.04935	10.6
121.02853	5.4
121.06485	2.7
123.04417	5.4
125.02309	4.4
127.03900	61.9
129.01846	1.9
131.04892	5.0
133.06441	2.5
135.04382	4.0
137.05977	8.4
140.29198	1.2
145.02846	1.2
145.04948	16.4
147.04393	41.9
149.02380	4.5
151.03894	6.7
153.01805	81.9
161.05959	1.9
163.03880	5.3
163.05945	1.6
165.01794	8.4
165.05510	1.2
165.09068	1.5
168.10115	1.0
169.04968	3.7
171.02864	66.5
173.06013	1.4
177.01785	20.2
177.05545	1.3
179.03392	1.8
183.02840	9.5
187.03912	5.9
187.05998	5.1
189.01840	5.4
189.09103	1.5
191.03363	17.7
195.02864	100.0
197.00847	1.9
205.04961	4.1
205.07121	1.3
207.02834	8.7
209.04462	2.3
211.05936	2.1
213.03923	2.3
213.13101	1.6
215.03404	15.7
217.01254	1.6
217.04951	1.5
218.16635	1.6
219.02852	35.0
225.03926	1.6
229.04886	2.1
229.07030	1.7
231.02907	4.9
233.04443	6.4
235.05978	1.3
237.03952	10.1
243.02773	9.6
249.03958	4.0
253.07033	1.9
255.02826	2.1
257.04501	2.6
261.03906	47.6
271.08093	5.8
273.04367	2.4
273.07516	52.0
279.04913	4.0
283.09598	1.5
283.13162	1.3
285.03928	11.5
285.07108	2.5
289.09076	4.3
297.07547	21.4
299.05469	1.6
303.05032	7.8
309.04053	2.0
309.07629	4.2
315.08551	37.4
321.06366	2.0
327.04843	7.2
335.08957	1.2
339.08536	16.8
351.04913	1.8
351.08725	1.6
354.58734	1.3
357.09708	5.3
363.08633	10.4
373.11230	1.7
381.09650	23.9
387.07669	2.3
399.10803	5.2
405.09616	10.9
415.12292	6.5
417.11545	2.6
423.10690	8.3
433.13342	1.6
441.11673	4.3
447.10342	4.6
459.13028	2.4
471.10474	2.1
483.13095	1.6
489.11426	1.3
507.12708	4.6
525.13562	9.7
531.11688	1.8
543.15045	2.6
549.12836	2.5
567.13641	4.8
585.15442	5.0
633.16040	4.4
651.17108	9.6
669.17822	13.9
687.19006	8.0
705.19788	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
75.26300	0.1
79.05463	0.6
81.03383	0.3
81.07026	0.6
83.04939	0.2
85.02898	2.5
87.04443	0.1
91.03904	0.1
91.05457	7.7
94.04152	0.9
95.04947	2.1
97.02866	0.8
100.27047	0.1
103.05441	1.2
105.06996	1.0
107.04936	2.4
109.02867	0.2
109.06522	1.5
111.04422	0.6
115.05428	0.5
117.06985	0.8
119.04916	7.5
121.06468	2.2
122.03619	2.0
123.04415	0.2
123.08047	0.5
124.48171	0.1
125.05926	0.1
127.03857	0.2
128.06197	1.0
129.06972	4.7
131.04903	2.1
131.08527	0.6
133.02814	0.2
133.06453	0.9
134.03502	0.2
135.08028	2.0
136.05191	1.0
137.05951	36.3
138.06294	0.3
139.07498	0.5
141.06941	0.2
143.04889	0.7
145.04945	0.3
145.06483	1.4
146.03604	0.3
146.07271	0.1
147.04358	0.7
147.08029	0.5
148.05151	0.1
149.05956	6.3
150.06737	0.2
151.03876	1.1
151.07516	53.7
152.06133	0.5
152.07875	0.6
157.06459	5.3
158.07268	0.2
159.04390	0.2
159.07948	0.2
160.05156	0.2
161.05939	4.8
161.09584	1.3
162.06673	0.3
163.03879	0.3
163.07501	11.4
165.06958	2.2
165.09074	2.6
166.07782	0.2
167.07097	0.3
167.08517	4.9
169.06425	0.3
173.05865	0.1
174.06721	2.8
175.07520	4.0
176.08217	0.3
177.05487	0.3
177.06902	0.2
177.09065	2.9
178.07748	1.0
179.07047	0.2
179.08525	0.7
180.08659	0.3
181.06485	0.8
181.08543	0.2
181.09981	0.4
182.07249	0.6
183.07886	0.2
184.08844	0.2
187.07535	0.3
189.09067	19.1
190.09421	0.2
191.10756	0.2
192.09308	0.2
193.06471	2.1
193.08334	0.3
193.10069	3.2
194.07213	0.6
195.08017	11.1
196.08670	0.3
197.05966	0.7
197.09544	0.6
199.11176	0.2
201.09071	0.2
202.07941	0.2
203.08525	0.8
205.06450	0.6
206.07227	0.7
207.08017	0.8
207.10130	2.7
209.05957	0.2
209.09602	1.7
210.06683	1.8
210.10410	0.2
211.07516	0.9
212.08282	1.6
213.09081	0.5
219.08073	0.3
219.10133	0.9
220.08801	0.3
221.05974	4.4
221.09552	5.2
221.11526	0.2
222.06602	0.3
222.10237	0.2
223.07481	5.7
224.08243	1.6
225.05502	0.3
225.09065	4.3
227.07050	0.5
227.10616	18.5
228.10854	0.2
229.12317	0.1
231.07962	0.7
232.09242	0.1
234.06714	0.3
235.07530	0.7
235.11090	0.3
237.09059	1.4
238.06299	1.3
238.09819	0.8
239.06900	0.7
239.10638	0.8
240.07805	1.8
241.08525	0.5
241.12019	1.2
249.09030	3.7
250.09770	0.2
251.06819	0.2
251.10721	0.2
252.07715	0.9
253.08528	7.5
253.12169	9.4
254.09288	0.6
255.10098	18.8
256.10687	0.9
257.08017	0.2
259.13242	0.5
261.09039	0.2
263.10611	0.3
265.08475	0.3
266.09308	0.6
267.10077	3.4
269.08017	2.2
269.11618	1.2
270.08829	0.7
272.10455	1.9
281.11642	4.1
283.09515	0.2
284.10312	1.0
285.11151	12.8
287.12711	34.2
288.12949	1.0
293.11682	0.2
297.11081	0.6
298.11880	0.8
299.12741	1.9
301.14304	1.2
311.12671	0.7
313.14279	18.7
314.14621	0.3
331.15326	100.0
332.15637	2.4
333.15948	0.1
343.15356	1.5
504.27521	0.2
508.22629	0.2
540.24219	0.5
945.23480	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	1058.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05484	1.4
81.03392	0.3
81.07025	0.5
85.02882	3.0
91.05460	4.0
93.07008	0.3
94.04160	3.4
95.04943	0.8
97.02862	1.1
103.05450	2.3
105.06359	0.4
105.07010	5.9
107.04944	0.4
109.02874	0.3
109.06514	1.5
115.05445	2.7
117.06983	1.2
118.04132	0.3
119.04921	1.2
119.08553	2.3
121.06477	0.9
122.03615	6.3
127.03912	1.0
128.06172	1.5
129.06958	2.2
131.04904	2.1
132.05701	2.1
133.06465	4.7
135.04349	0.2
137.05956	100.0
138.06288	0.8
141.06981	0.3
143.04915	0.4
143.06010	0.3
144.05687	0.3
145.04950	0.5
145.06450	1.9
146.03609	0.3
147.04376	1.5
147.08044	2.7
149.05965	2.2
151.03911	0.4
151.07552	2.5
153.06949	0.2
155.04851	1.4
156.05695	0.3
157.06432	0.7
159.08023	3.6
160.05148	1.6
161.05946	14.1
162.06682	0.3
163.07565	1.9
165.05481	0.2
165.06876	0.3
167.07048	0.3
169.06496	0.3
171.08012	0.5
172.05180	1.1
175.07506	21.3
177.05508	0.4
177.12700	0.2
178.07866	0.2
179.06995	1.1
181.06483	0.4
184.05099	0.4
185.05888	0.5
187.07504	10.9
189.06892	0.4
189.09100	1.7
190.07748	1.9
191.08513	9.3
199.07516	6.4
201.09071	0.4
202.07672	1.5
203.08566	3.6
203.10417	0.3
204.09245	0.3
205.06456	1.0
205.08443	0.4
205.10242	0.3
207.08044	0.7
208.08815	1.1
211.07472	0.4
215.08603	0.2
215.10558	0.2
217.08563	0.8
218.07263	2.1
219.08011	15.3
220.08740	1.9
221.05934	0.4
221.09564	0.4
225.09189	0.2
231.08003	5.0
232.08781	1.1
233.09564	0.8
235.07523	0.9
235.11024	0.4
236.08305	2.8
237.08984	0.4
237.69646	0.3
242.12386	0.2
243.10139	0.2
245.09549	0.2
246.06708	0.8
247.07468	8.2
248.08177	3.3
249.08977	0.8
251.10609	28.3
252.10933	0.3
253.08594	1.4
259.07449	3.9
259.09894	0.3
260.08255	1.7
261.09048	2.4
262.09702	0.2
263.06802	0.2
263.07941	0.2
263.10617	3.3
264.07816	2.2
265.08441	1.1
268.11139	0.3
275.06772	0.3
276.07742	1.7
277.08545	2.1
279.10107	20.2
280.10971	1.7
281.07932	1.1
283.09705	0.3
283.13235	0.3
285.11157	1.3
289.11646	0.2
291.10104	9.0
291.13376	0.3
292.10773	2.0
293.08057	0.8
293.11328	0.2
295.09756	0.4
295.13226	1.0
296.10361	2.5
297.11224	0.4
299.09201	0.3
308.10419	1.1
309.11066	0.5
311.12714	41.3
312.13007	0.7
313.14386	1.7
317.11407	0.2
323.12704	18.8
324.13342	0.2
325.14368	0.5
335.12747	0.3
341.13788	9.0
347.12500	0.2
349.14273	0.3
367.15277	0.3
379.15118	0.8
485.18271	0.9
501.19238	0.3
503.19113	7.3
527.20227	0.3
533.21600	1.7
545.21979	0.2
581.21344	0.3
609.24567	0.7
611.22797	0.2
621.24524	1.0
633.24780	0.5
639.25732	1.4
651.25427	1.9
657.26563	0.3
669.26410	0.9
681.26636	0.3
731.86292	0.3
897.10089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.071
Annotation	HBA
Peak:m/z	Relative Intensity
50.13088	0.1
53.81935	0.1
58.06587	1.7
59.07373	0.5
60.08152	17.4
68.05025	0.9
69.03416	13.9
86.06052	12.7
87.04451	52.2
88.04813	0.1
93.24435	0.1
104.07108	2.7
104.10726	100.0
105.11052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
50.49144	0.0
58.06589	1.4
59.07364	0.5
60.08154	17.8
68.05022	0.1
69.03418	2.3
70.55790	0.0
86.06052	2.1
87.04453	8.8
104.10727	100.0
104.21955	0.1
105.11055	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	1044.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02897	4.3
79.90871	0.4
81.03419	3.8
81.48315	0.5
83.01344	0.5
85.02895	100.0
86.03208	0.6
87.04502	0.4
91.03929	0.9
97.02875	39.2
99.04443	9.2
101.02374	6.5
103.03880	0.5
109.02876	6.8
115.03928	5.5
116.28259	0.4
127.03899	91.7
133.04999	0.8
145.04945	61.4
163.05986	16.5
180.08630	5.2
198.09692	4.0
238.92986	0.4
259.08054	4.6
275.13193	0.4
277.09216	0.7
289.09109	8.2
307.10211	2.8
325.11230	29.2
343.12262	8.3
360.14978	22.1
467.42673	0.4
639.08331	0.4
696.30536	0.5
941.33319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	1.4
81.03391	1.5
81.07047	0.9
83.04929	0.7
85.02891	1.4
91.05448	9.8
94.04185	4.3
95.01240	0.7
95.04945	1.1
97.02870	3.6
99.04439	0.8
103.05463	5.2
105.07004	3.1
107.04945	3.1
109.02852	2.4
109.06490	1.3
111.04398	0.6
115.05426	1.3
117.07003	1.4
119.04903	6.7
119.08595	1.1
121.06494	3.4
122.03627	8.5
123.07979	0.9
127.03860	0.9
128.06192	0.9
129.06955	4.7
131.04901	9.1
133.06477	2.9
134.03575	0.8
135.08023	3.0
137.05957	100.0
143.04912	1.4
145.02817	2.3
145.06482	3.1
147.04382	1.4
147.08067	0.9
149.05997	5.6
151.03932	3.2
151.07533	36.3
157.06470	4.8
160.05165	0.9
161.05937	19.6
162.06715	0.7
163.07520	19.7
163.08893	0.7
165.05728	0.6
165.06932	5.5
165.09113	1.5
167.08504	6.0
173.05931	1.2
174.06725	2.6
175.07506	17.0
177.05421	3.1
177.06865	0.9
177.09082	5.7
178.07735	0.7
179.07027	7.0
179.08449	1.1
181.06471	1.0
182.07286	0.9
185.05954	0.8
187.06073	0.6
187.07555	3.8
188.04657	5.3
189.09052	9.6
191.07040	9.1
191.08542	1.7
193.06467	7.2
193.08330	0.9
193.10236	1.0
194.07137	0.8
195.08029	7.9
195.10097	2.4
197.09598	1.0
201.05414	3.1
202.06107	0.8
203.06976	15.2
203.08672	0.7
205.06622	1.2
205.08626	5.1
206.07173	1.3
207.08128	1.2
207.10194	0.7
209.06261	0.8
209.08090	4.3
209.09790	0.8
210.06746	3.7
211.07529	2.2
212.08371	1.5
212.61681	0.6
215.06937	1.2
217.08585	2.6
219.08051	2.8
219.10039	0.7
220.08713	1.2
221.05960	15.5
221.09508	4.5
222.06705	1.0
223.07437	4.7
224.08295	3.5
225.09036	16.2
226.09865	0.7
227.07030	2.4
227.10628	13.1
229.08504	1.5
231.08208	0.8
233.07999	1.5
234.06688	3.1
235.07532	3.5
237.09058	3.3
238.06198	2.5
239.06993	1.0
239.10559	0.8
240.07826	1.3
241.08502	1.0
247.07405	2.2
248.08205	1.2
249.09055	5.7
251.06976	2.8
251.10643	2.5
252.07726	2.7
253.08546	20.5
253.12248	4.4
254.09219	0.8
255.10097	9.2
257.08041	1.3
262.06158	1.2
263.06891	2.2
265.08572	6.7
266.09171	1.3
267.10077	11.8
267.39514	0.6
268.07443	0.8
269.07993	1.3
269.11716	1.1
270.08850	2.3
272.10324	1.1
277.08582	8.2
278.08926	1.2
279.10104	3.8
280.07370	1.2
281.11661	3.2
282.09085	1.2
283.09625	5.9
284.10281	1.3
285.11163	25.8
287.12784	11.3
289.08267	0.7
290.05768	1.5
291.10181	2.6
292.07190	0.9
293.08160	1.3
294.08749	4.7
295.09543	4.4
296.10419	1.0
297.11179	12.3
299.09561	0.7
299.12802	2.8
303.09897	0.8
304.07367	0.9
305.08087	2.4
305.11395	0.8
306.08698	1.1
307.09570	3.8
308.10483	0.8
309.11157	19.1
310.04187	0.7
311.12720	7.6
313.14328	7.2
315.09949	0.7
319.09573	2.9
321.11108	4.5
323.12769	2.6
325.10757	4.9
326.10938	1.2
327.12201	31.1
329.13699	1.2
331.15323	25.2
333.11325	2.6
337.10773	5.1
338.10776	1.0
339.12210	4.6
341.13730	3.2
343.15533	2.2
347.12677	0.9
351.12250	7.5
353.13812	1.4
355.11676	1.0
356.12070	2.4
357.12949	1.2
363.12170	1.0
365.12610	1.3
369.13242	2.4
375.12198	1.4
381.13391	0.7
393.13458	2.1
395.13297	2.5
399.12009	0.8
405.12991	0.9
417.13107	1.0
435.14285	5.9
453.15341	13.4
465.15369	1.1
471.16403	16.8
483.16354	1.3
489.17456	12.9
501.17386	0.9
533.21393	0.9
659.24683	1.5
677.25482	1.4
695.27106	5.7
765.27948	1.1
783.29590	1.1
789.12189	0.7
1028.43091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02891	4.4
79.05478	71.7
81.03394	16.9
81.07041	86.5
83.04958	5.6
83.08599	19.7
85.02899	32.7
87.04433	4.2
91.05466	50.0
93.07024	73.8
95.04940	16.8
95.08588	51.8
97.02874	8.8
97.06498	3.8
97.10164	16.3
105.07050	26.0
107.04997	3.5
107.08578	38.9
108.07756	3.4
109.10150	81.9
117.06973	5.5
119.08578	19.2
121.10137	32.0
123.11745	3.8
125.09657	5.6
129.06982	4.4
131.08554	13.9
133.10101	7.0
135.11673	20.6
145.10109	8.1
147.11697	4.4
149.09683	3.8
149.13284	4.3
159.11684	7.8
163.11134	7.9
163.14679	5.1
173.11705	17.2
173.13123	4.5
199.13260	4.8
227.12758	4.7
229.14330	48.4
261.22067	21.6
301.16455	22.3
335.25778	100.0
399.23761	19.7
489.35849	33.2
543.36890	5.0
561.37402	7.8
659.45313	53.3
994.76794	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	1018.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04961	7.1
79.05485	90.9
81.03413	12.3
81.07037	85.0
81.63998	6.4
83.08615	10.2
85.02874	31.9
90.32205	6.6
91.03946	9.6
91.05469	53.1
93.07018	64.0
95.04939	14.4
95.08587	60.2
97.06457	10.3
97.10130	16.4
105.07019	35.6
107.08573	32.1
109.10147	100.0
111.07993	8.3
117.07004	13.2
119.08569	34.3
121.10096	14.2
131.08638	10.5
133.10127	11.9
135.11676	11.7
137.04089	6.7
145.10112	10.7
151.18570	6.5
163.11098	8.3
173.11797	10.9
229.14307	46.3
261.22098	14.2
335.25858	79.9
398.27112	7.2
399.23743	14.4
424.62854	7.7
659.44781	41.6
771.93262	8.2
801.67523	8.5
823.43329	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	1006.6337
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07361	2.5
77.74571	0.2
79.05482	1.1
80.05795	0.2
81.07035	1.8
83.08589	0.4
86.09689	31.8
91.05463	0.9
93.07019	1.1
95.04937	0.3
95.08587	1.2
98.98432	3.2
104.10731	3.5
105.06939	0.2
107.08604	0.5
109.10133	1.1
119.02910	0.3
119.13435	0.3
124.99982	23.1
133.10089	0.3
143.01035	0.3
145.10094	0.4
161.55817	0.2
174.73389	0.2
183.49686	0.2
184.07306	100.0
184.80586	0.2
335.25714	0.5
355.63113	0.3
379.82916	0.2
504.34198	1.4
522.35443	19.5
523.35559	0.9
538.23273	0.3
552.44153	0.3
671.41003	0.2
718.49988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41018	0.8
55.40656	0.9
56.96554	1.1
58.99854	1.6
59.99688	0.8
59.99936	12.4
70.59153	0.8
73.02133	0.9
77.00878	1.3
78.00961	5.9
83.01487	14.5
84.01137	1.9
84.08118	0.9
84.90795	0.9
92.09314	1.4
100.02456	5.7
101.00871	14.9
101.02544	76.4
102.02234	12.4
103.02477	1.1
118.03479	6.7
119.01899	100.0
119.03593	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	8.0
73.73834	4.3
79.05479	50.0
81.07037	96.6
83.04966	19.0
83.08614	11.2
85.02901	6.5
91.05465	43.7
93.07019	47.6
95.04948	23.7
95.08589	37.0
96.46853	4.1
97.06509	8.2
97.10152	25.4
105.07023	37.9
107.04948	9.1
107.08612	32.8
109.06531	5.3
109.10144	21.7
111.04475	17.7
111.08076	5.2
114.56905	4.5
115.74471	5.0
117.06979	10.1
119.08578	31.8
121.06487	8.9
121.10124	11.1
123.08038	27.3
125.09644	19.8
129.07013	5.9
131.08566	9.6
133.06482	5.4
133.10118	21.0
135.08026	6.7
144.81590	4.6
145.10133	11.3
147.08073	18.1
147.11693	7.9
149.09592	7.1
149.69414	4.4
157.10068	6.3
161.09598	6.1
163.11156	24.0
175.14883	4.6
181.12207	6.4
185.77702	4.3
189.09062	4.4
189.11104	6.8
220.01726	4.9
227.12782	6.3
255.17351	4.7
273.18539	18.3
291.19495	59.7
309.20480	8.5
322.95148	4.9
337.27313	65.4
365.23212	39.0
371.74490	4.6
383.24133	19.6
426.03989	4.8
627.46051	86.4
645.46826	100.0
714.52863	5.1
1030.03394	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	1002.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04967	3.4
73.02905	2.3
79.05473	75.2
81.03398	15.3
81.07039	100.0
83.04952	17.4
83.08611	22.1
85.02893	13.6
85.06499	2.5
91.03909	2.9
91.05460	50.8
93.07019	63.2
95.04951	27.4
95.08588	53.7
97.02871	6.4
97.06513	9.0
97.10148	29.1
99.04411	2.7
103.05427	2.0
105.04525	1.8
105.07012	40.9
107.04934	9.8
107.08589	40.3
109.06504	12.4
109.10150	24.6
111.04440	14.1
111.08069	9.1
117.06995	17.8
119.06072	1.9
119.08543	35.4
121.06470	11.0
121.10120	23.4
123.08046	28.5
123.11698	3.3
125.05983	2.1
125.09607	25.6
128.06209	1.8
129.06967	7.4
131.08553	26.6
133.06496	3.6
133.10115	21.5
135.08041	9.7
135.11665	20.8
137.09602	7.4
143.08568	8.5
145.06485	3.3
145.10100	28.5
147.08090	11.5
147.09106	1.8
147.11691	9.3
149.09587	8.7
149.13222	6.4
153.09099	6.6
153.12753	8.7
155.08586	1.9
157.10101	7.5
159.08078	6.2
159.11661	10.6
161.09560	10.7
161.13235	3.7
163.11145	18.9
163.14850	1.7
165.09088	3.3
168.99500	1.7
169.89232	1.9
171.08052	2.5
171.10214	1.7
171.11632	3.7
173.13261	8.6
175.11205	6.8
181.10693	1.5
181.12245	8.2
182.48741	1.5
187.11198	2.1
187.14749	1.5
189.11198	14.6
191.10641	3.3
193.12241	7.3
211.14806	2.1
223.13179	1.6
227.12798	13.1
231.13705	2.7
245.19087	3.2
255.17328	1.8
261.22073	5.9
273.18460	31.9
283.15424	3.4
291.19476	69.7
309.20547	13.1
323.21527	1.5
335.25748	76.8
347.22104	8.6
365.23193	35.0
383.24173	30.9
494.14273	1.9
501.83502	1.8
529.38879	1.6
551.41089	1.8
607.43469	3.6
615.86273	1.8
625.34137	2.1
625.44537	62.8
643.45557	80.4
644.45886	2.6
650.83002	1.7
705.50934	1.7
712.84735	1.6
761.93591	2.0
772.47998	1.7
807.62158	1.9
846.11987	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04984	4.8
79.05478	65.6
81.03390	11.8
81.07040	100.0
82.31928	1.0
83.04965	16.9
83.08600	21.8
85.02881	8.5
85.06514	1.6
91.03933	2.8
91.05466	45.6
93.07024	67.0
95.04956	21.7
95.08012	2.0
95.08593	51.4
96.33985	1.3
97.02878	5.7
97.06506	8.0
97.10153	21.6
99.04449	1.6
99.08068	1.6
105.04465	2.1
105.06293	1.3
105.07012	33.2
107.04929	10.4
107.08579	40.0
109.06504	10.5
109.10144	20.0
111.04440	12.4
111.08063	7.2
115.05430	2.2
115.56768	1.1
117.07014	15.3
119.08561	33.4
121.06494	5.9
121.10117	24.1
123.08065	21.2
123.11678	1.3
125.09615	18.8
126.53284	1.2
128.06172	1.5
128.28496	1.3
129.06995	7.3
130.07751	1.3
131.08554	23.6
133.06497	2.0
133.10123	17.6
135.08066	8.6
135.11673	15.4
137.09610	6.0
139.11172	1.5
142.07767	1.5
143.08559	7.7
145.10112	24.5
147.08023	11.4
147.11711	6.6
149.09608	6.2
149.13237	5.3
153.12695	8.3
155.08553	2.6
157.10132	8.4
157.11269	1.4
159.07999	2.2
159.11699	10.2
159.57657	1.2
161.09602	7.8
163.05775	1.2
163.11159	20.9
163.14830	1.8
163.67641	1.1
165.09096	2.7
166.95340	1.1
169.10123	1.5
171.11670	5.9
171.89864	1.3
173.09576	2.5
173.13193	2.7
175.11198	2.8
175.14801	2.6
177.12668	2.3
181.12238	6.4
183.11752	1.2
185.13248	5.9
187.14743	2.2
187.57225	1.3
189.11191	11.0
189.12701	2.0
191.10593	2.4
193.12202	2.9
199.11147	1.6
213.16466	1.3
223.13319	2.2
227.12737	10.3
245.18890	2.4
255.17349	2.9
259.20435	1.7
261.22067	6.1
273.18430	20.6
283.15356	1.9
291.16415	2.2
291.19501	45.4
309.20575	2.4
335.25763	93.8
347.22076	5.3
365.23199	37.2
383.24344	17.6
509.45569	1.2
529.38477	1.7
533.40161	2.0
551.40759	1.6
561.37524	1.8
607.43610	9.7
625.44464	71.5
643.45630	80.8
650.32245	1.4
END